#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 0.28 -0.00 3.49 0.00 -1.26 -4.65 119.74 117.60 2k8m s LYS 2 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 55.97 56.60 2k8m s LYS 2 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 37.83 37.48 2k8m s LYS 2 CO 0.00 -0.49 0.02 -0.11 0.00 0.00 0.00 175.35 174.76 2k8m n LEU 3 N 5.36 0.02 0.00 2.77 7.94 -0.37 -4.30 117.00 128.42 2k8m n LEU 3 Ca -0.05 -0.33 0.00 0.00 -1.11 0.00 0.00 56.01 54.51 2k8m n LEU 3 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 2k8m n LEU 3 CO 0.04 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.94 2k8m n GLY 4 N 1.50 0.20 2.93 -3.96 0.00 -1.21 -3.84 105.19 100.81 2k8m n GLY 4 Ca 0.00 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 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 0.19 -0.14 1.61 1.02 -0.53 -0.03 119.74 121.86 2k8m s LYS 5 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.75 2k8m s LYS 5 Cb 0.00 -0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.26 2k8m s LYS 5 CO 0.00 0.01 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.16 2k8m s LEU 6 N -0.51 1.52 -0.25 3.17 0.20 -0.28 -0.70 118.68 121.84 2k8m s LEU 6 Ca -0.04 -0.44 -0.18 0.00 0.69 0.00 0.00 54.13 54.16 2k8m s LEU 6 Cb -0.04 -1.05 -0.03 0.00 -0.43 0.00 0.00 46.19 44.65 2k8m s LEU 6 CO -0.00 -0.09 0.51 0.00 -0.29 0.00 0.00 176.35 176.48 2k8m s GLN 7 N 1.57 4.10 0.16 1.98 0.00 -0.73 -1.58 119.66 125.15 2k8m s GLN 7 Ca 0.05 0.33 -0.01 0.00 -0.00 0.00 0.00 55.36 55.72 2k8m s GLN 7 Cb -0.13 -3.63 -0.04 0.00 0.00 0.00 0.00 33.01 29.21 2k8m s GLN 7 CO -0.10 -0.29 0.08 1.52 0.00 0.00 0.00 175.29 176.50 2k8m s TYR 8 N 2.12 0.98 -0.17 9.60 1.13 -0.68 -0.81 117.35 129.51 2k8m s TYR 8 Ca 0.21 -1.28 -0.02 0.00 -1.41 0.00 0.00 57.07 54.57 2k8m s TYR 8 Cb -0.16 -0.52 0.05 0.00 -1.10 0.00 0.00 41.96 40.24 2k8m s TYR 8 CO 0.09 -0.55 0.02 -1.54 -2.51 0.00 0.00 175.55 171.07 2k8m s SER 9 N -3.09 2.66 -0.14 -0.18 1.04 0.55 -1.60 113.70 112.94 2k8m s SER 9 Ca 0.29 -0.67 -0.15 0.00 0.48 0.00 0.00 55.95 55.90 2k8m s SER 9 Cb 0.07 -0.59 -0.05 0.00 0.10 0.00 0.00 66.02 65.56 2k8m s SER 9 CO 0.05 -0.28 0.34 -0.76 0.98 0.00 0.00 173.24 173.57 2k8m s LEU 10 N 1.86 4.27 0.09 2.42 1.43 0.26 -2.39 118.68 126.61 2k8m s LEU 10 Ca 0.00 0.60 0.03 0.00 -1.03 0.00 0.00 54.13 53.73 2k8m s LEU 10 Cb -0.16 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 2k8m s LEU 10 CO -0.07 0.10 -0.08 1.51 0.23 0.00 0.00 176.35 178.03 2k8m s ASP 11 N 0.37 1.20 0.10 2.29 1.47 -0.99 -0.62 116.67 120.49 2k8m s ASP 11 Ca 0.19 -0.83 0.09 0.00 1.18 0.00 0.00 52.55 53.17 2k8m s ASP 11 Cb -0.14 0.05 -0.04 0.00 -0.34 0.00 0.00 42.92 42.45 2k8m s ASP 11 CO 0.06 -0.33 -0.18 -0.72 0.68 0.00 0.00 175.17 174.67 2k8m s TYR 12 N -2.69 2.53 -0.05 2.11 1.13 -1.26 -0.45 117.35 118.67 2k8m s TYR 12 Ca 0.05 -0.27 0.03 0.00 -1.41 0.00 0.00 57.07 55.47 2k8m s TYR 12 Cb -0.01 -1.37 0.00 0.00 -1.10 0.00 0.00 41.96 39.48 2k8m s TYR 12 CO -0.02 0.35 -0.14 0.34 -2.51 0.00 0.00 175.55 173.57 2k8m s ASP 13 N -1.94 1.82 0.00 -0.18 -1.08 -0.70 -4.93 116.67 109.65 2k8m s ASP 13 Ca 0.17 -0.30 0.18 0.00 -0.52 0.00 0.00 52.55 52.08 2k8m s ASP 13 Cb -0.11 -0.65 0.17 0.00 -1.46 0.00 0.00 42.92 40.87 2k8m s ASP 13 CO 0.09 0.09 1.09 2.22 0.52 0.00 0.00 175.17 179.17 2k8m n PHE 14 N 3.46 0.05 0.01 -5.34 1.16 -1.26 -2.42 117.46 113.12 2k8m n PHE 14 Ca -0.20 -0.03 -0.15 0.00 -1.87 0.00 0.00 57.45 55.20 2k8m n PHE 14 Cb 0.53 -0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.26 2k8m n PHE 14 CO 0.00 0.00 0.00 -0.56 -1.87 0.00 0.00 176.76 174.33 2k8m h GLN 15 N 3.51 0.16 -0.01 3.97 3.07 -1.95 -3.36 115.11 120.50 2k8m h GLN 15 Ca 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 58.65 58.47 2k8m h GLN 15 Cb 0.76 0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.42 2k8m h GLN 15 CO 0.00 0.92 -0.07 0.27 0.09 0.00 0.00 178.83 180.04 2k8m n ASN 16 N -3.31 1.75 -3.08 0.06 0.23 -1.26 -5.04 115.26 104.61 2k8m n ASN 16 Ca -0.21 -1.38 -0.07 0.00 -0.53 0.00 0.00 54.58 52.39 2k8m n ASN 16 Cb 1.04 0.14 0.01 0.00 -2.08 0.00 0.00 39.78 38.89 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 0.38 -7.47 -3.69 0.53 2.85 -1.21 -4.87 115.26 101.79 2k8m n ASN 17 Ca 0.06 0.05 -0.03 0.00 -0.11 0.00 0.00 54.58 54.55 2k8m n ASN 17 Cb 0.27 -4.81 -0.01 0.00 1.24 0.00 0.00 39.78 36.46 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 -3.01 0.94 -0.19 1.20 1.03 -1.02 -2.95 119.66 115.67 2k8m s GLN 18 Ca 0.11 -0.50 -0.04 0.00 0.04 0.00 0.00 55.36 54.97 2k8m s GLN 18 Cb -0.03 0.34 -0.02 0.00 0.03 0.00 0.00 33.01 33.33 2k8m s GLN 18 CO 0.78 -0.43 -0.04 -0.51 -2.54 0.00 0.00 175.29 172.55 2k8m s LEU 19 N -2.86 3.07 -0.52 2.60 1.43 -1.04 -1.73 118.68 119.62 2k8m s LEU 19 Ca 0.12 -0.26 -0.24 0.00 -1.03 0.00 0.00 54.13 52.71 2k8m s LEU 19 Cb 0.00 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.50 2k8m s LEU 19 CO -0.01 0.08 0.92 -0.22 0.23 0.00 0.00 176.35 177.35 2k8m s LEU 20 N 0.91 4.10 -0.79 1.79 1.98 0.40 -1.77 118.68 125.29 2k8m s LEU 20 Ca -0.00 -0.24 -0.20 0.00 -2.89 0.00 0.00 54.13 50.80 2k8m s LEU 20 Cb -0.15 -2.92 0.10 0.00 0.66 0.00 0.00 46.19 43.89 2k8m s LEU 20 CO 0.01 -1.16 1.03 -0.69 -1.89 0.00 0.00 176.35 173.65 2k8m s VAL 21 N 3.85 4.57 -0.56 1.68 1.01 -0.89 -2.34 120.40 127.72 2k8m s VAL 21 Ca 0.32 -1.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 2k8m s VAL 21 Cb -0.12 -4.72 0.14 0.00 0.00 0.00 0.00 36.38 31.68 2k8m s VAL 21 CO 0.21 -1.46 0.52 -0.83 0.00 0.00 0.00 175.10 173.54 2k8m s GLY 22 N 3.67 2.13 -0.03 4.51 0.00 -1.01 -2.81 107.32 113.77 2k8m s GLY 22 Ca 0.27 -2.60 -0.21 0.00 0.00 0.00 0.00 44.72 42.18 2k8m s GLY 22 CO -0.00 1.21 0.60 -0.26 0.00 0.00 0.00 173.10 174.64 2k8m s ILE 23 N 1.50 4.98 -0.07 0.90 -0.00 -1.24 -0.33 121.20 126.94 2k8m s ILE 23 Ca 0.04 1.24 -0.01 0.00 -0.00 0.00 0.00 60.65 61.92 2k8m s ILE 23 Cb -0.28 -3.93 -0.00 0.00 -0.00 0.00 0.00 42.46 38.24 2k8m s ILE 23 CO 0.02 0.37 -0.02 0.40 -0.00 0.00 0.00 174.94 175.72 2k8m h ILE 24 N 4.35 0.00 -1.98 8.37 2.04 -1.33 -3.30 117.51 125.66 2k8m h ILE 24 Ca -0.44 -0.68 0.21 0.00 1.00 0.00 0.00 64.86 64.95 2k8m h ILE 24 Cb 1.20 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.16 2k8m h ILE 24 CO 0.72 0.00 0.62 0.00 0.00 0.00 0.00 178.15 179.48 2k8m s GLN 25 N -1.44 0.79 0.02 2.37 1.03 -1.15 -3.21 119.66 118.08 2k8m s GLN 25 Ca -0.01 -0.40 0.08 0.00 0.04 0.00 0.00 55.36 55.07 2k8m s GLN 25 Cb 0.00 0.30 -0.02 0.00 0.03 0.00 0.00 33.01 33.31 2k8m s GLN 25 CO 0.02 -0.36 -0.24 0.00 -2.54 0.00 0.00 175.29 172.17 2k8m s ALA 26 N -2.92 2.01 0.17 2.60 0.00 -1.24 -1.77 121.76 120.61 2k8m s ALA 26 Ca 0.11 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 51.00 2k8m s ALA 26 Cb 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 2k8m s ALA 26 CO -0.03 0.48 -0.11 0.00 0.00 0.00 0.00 175.76 176.10 2k8m s ALA 27 N -0.71 1.61 -0.90 0.00 0.00 0.13 -3.91 121.76 117.98 2k8m s ALA 27 Ca 0.10 -1.55 -0.06 0.00 0.00 0.00 0.00 51.96 50.45 2k8m s ALA 27 Cb -0.09 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.07 2k8m s ALA 27 CO 0.01 -0.06 0.75 0.39 0.00 0.00 0.00 175.76 176.84 2k8m n GLU 28 N -0.25 -5.09 -2.72 0.00 -0.58 -1.26 -1.46 120.64 109.28 2k8m n GLU 28 Ca -0.09 0.55 -0.42 0.00 -0.42 0.00 0.00 57.16 56.77 2k8m n GLU 28 Cb 0.61 -4.72 -0.03 0.00 -0.57 0.00 0.00 31.44 26.72 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 -5.09 4.38 0.81 -4.62 1.43 -1.24 -3.62 118.68 110.73 2k8m s LEU 29 Ca 0.37 1.66 -0.12 0.00 -1.03 0.00 0.00 54.13 55.01 2k8m s LEU 29 Cb -0.16 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.58 2k8m s LEU 29 CO 0.46 -0.23 1.15 -2.84 0.23 0.00 0.00 176.35 175.11 2k8m s PRO 30 N 0.89 1.78 0.25 1.29 0.02 -1.26 -4.91 135.00 133.05 2k8m s PRO 30 Ca 0.51 1.51 -0.21 0.00 0.02 0.00 0.00 61.00 62.83 2k8m s PRO 30 Cb -0.21 -1.82 -0.09 0.00 0.02 0.00 0.00 34.50 32.41 2k8m s PRO 30 CO 0.28 -2.06 0.77 0.00 -0.33 0.00 0.00 177.00 175.66 2k8m s ALA 31 N -2.50 3.36 0.07 -1.55 0.00 -1.26 -4.85 121.76 115.03 2k8m s ALA 31 Ca 0.68 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.86 2k8m s ALA 31 Cb -0.23 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2k8m s ALA 31 CO 0.52 0.30 0.00 -0.11 0.00 0.00 0.00 175.76 176.47 2k8m n LEU 32 N 0.60 0.02 -4.75 0.00 -0.00 -1.26 -5.04 117.00 106.56 2k8m n LEU 32 Ca -0.01 0.11 -0.33 0.00 -0.00 0.00 0.00 56.01 55.79 2k8m n LEU 32 Cb 0.51 0.07 0.08 0.00 -0.00 0.00 0.00 43.42 44.08 2k8m n LEU 32 CO 0.43 -0.50 0.74 -0.62 -0.00 0.00 0.00 177.39 177.44 2k8m s ASP 33 N -5.05 4.53 -1.27 1.96 2.15 -1.26 -4.89 116.67 112.83 2k8m s ASP 33 Ca 0.00 2.05 -0.19 0.00 0.43 0.00 0.00 52.55 54.84 2k8m s ASP 33 Cb 0.00 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 40.10 2k8m s ASP 33 CO 0.00 -2.02 1.79 0.80 -0.17 0.00 0.00 175.17 175.57 2k8m n MET 34 N -2.96 2.81 0.00 4.34 0.00 -1.26 -2.63 117.12 117.42 2k8m n MET 34 Ca 0.11 -3.07 0.00 0.00 -0.00 0.00 0.00 57.70 54.73 2k8m n MET 34 Cb 0.52 -3.55 0.00 0.00 0.00 0.00 0.00 33.22 30.19 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 5.47 0.00 0.00 -5.12 0.00 -1.26 -5.00 105.19 99.27 2k8m n GLY 35 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 2.78 3.48 -0.02 0.00 -1.08 -4.96 105.19 105.39 2k8m n GLY 36 Ca 0.00 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 4.23 0.42 2.61 -4.23 -1.26 -4.33 115.64 113.09 2k8m s THR 37 Ca 0.00 -0.13 -0.07 0.00 -1.18 0.00 0.00 61.69 60.31 2k8m s THR 37 Cb 0.00 -4.70 0.10 0.00 1.34 0.00 0.00 72.50 69.23 2k8m s THR 37 CO 0.00 -1.47 0.57 -1.20 -0.54 0.00 0.00 174.62 171.97 2k8m n SER 38 N 7.95 -0.00 -3.50 3.99 7.64 -1.26 -4.05 113.62 124.40 2k8m n SER 38 Ca -0.02 -1.19 -0.30 0.00 1.01 0.00 0.00 58.87 58.37 2k8m n SER 38 Cb 0.46 -0.44 -0.06 0.00 -1.01 0.00 0.00 64.21 63.16 2k8m n SER 38 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k8m n ASP 39 N -3.38 4.22 -4.66 6.43 9.92 -1.26 -0.84 116.55 126.98 2k8m n ASP 39 Ca 0.07 -3.45 -0.40 0.00 -0.53 0.00 0.00 54.79 50.48 2k8m n ASP 39 Cb 0.25 -0.76 -0.06 0.00 -0.64 0.00 0.00 41.12 39.90 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 -2.57 4.19 0.13 -0.24 0.04 -1.24 -0.24 135.00 135.07 2k8m s PRO 40 Ca 0.39 0.50 0.09 0.00 0.04 0.00 0.00 61.00 62.02 2k8m s PRO 40 Cb 0.14 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 2k8m s PRO 40 CO 0.01 -0.22 -0.22 1.52 0.04 0.00 0.00 177.00 178.13 2k8m s TYR 41 N 1.85 1.95 -0.24 0.56 -0.85 0.52 -4.22 117.35 116.92 2k8m s TYR 41 Ca 0.26 -0.41 -0.16 0.00 -0.52 0.00 0.00 57.07 56.24 2k8m s TYR 41 Cb -0.16 -1.04 -0.04 0.00 0.38 0.00 0.00 41.96 41.11 2k8m s TYR 41 CO 0.10 0.28 0.40 0.14 -1.52 0.00 0.00 175.55 174.96 2k8m s VAL 42 N -1.36 5.17 -0.15 -3.49 -7.23 -1.26 -0.26 120.40 111.81 2k8m s VAL 42 Ca 0.11 0.68 -0.01 0.00 -1.81 0.00 0.00 61.98 60.95 2k8m s VAL 42 Cb -0.09 -3.73 -0.01 0.00 0.56 0.00 0.00 36.38 33.11 2k8m s VAL 42 CO 0.06 0.19 -0.11 -1.59 -0.31 0.00 0.00 175.10 173.33 2k8m s LYS 43 N 1.75 3.36 0.09 4.82 -2.85 0.32 -3.82 119.74 123.42 2k8m s LYS 43 Ca 0.18 -0.68 -0.30 0.00 -1.00 0.00 0.00 55.97 54.17 2k8m s LYS 43 Cb -0.15 -2.72 -0.05 0.00 -2.06 0.00 0.00 37.83 32.85 2k8m s LYS 43 CO 0.09 0.09 1.00 0.14 0.10 0.00 0.00 175.35 176.77 2k8m s VAL 44 N 0.67 4.48 0.05 1.79 -7.23 -1.20 -2.34 120.40 116.62 2k8m s VAL 44 Ca -0.06 1.98 0.04 0.00 -1.81 0.00 0.00 61.98 62.13 2k8m s VAL 44 Cb -0.15 -4.26 -0.02 0.00 0.56 0.00 0.00 36.38 32.50 2k8m s VAL 44 CO 0.02 0.26 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.60 2k8m s PHE 45 N 0.28 1.00 0.40 2.82 0.08 -0.78 -4.32 117.98 117.47 2k8m s PHE 45 Ca 0.49 -0.43 0.02 0.00 0.12 0.00 0.00 56.93 57.12 2k8m s PHE 45 Cb -0.24 -0.58 -0.01 0.00 -0.57 0.00 0.00 43.02 41.63 2k8m s PHE 45 CO 0.30 0.00 0.06 1.28 -0.10 0.00 0.00 175.22 176.76 2k8m n LEU 46 N 1.54 0.00 0.00 -0.37 7.99 -1.26 -1.61 117.00 123.28 2k8m n LEU 46 Ca -0.21 -2.74 0.00 0.00 -0.01 0.00 0.00 56.01 53.05 2k8m n LEU 46 Cb 0.55 0.57 0.00 0.00 -0.11 0.00 0.00 43.42 44.42 2k8m n LEU 46 CO 0.22 -0.40 0.00 0.00 -1.51 0.00 0.00 177.39 175.69 2k8m n LEU 47 N 0.00 0.00 -0.13 2.23 -0.00 -1.26 -4.76 117.00 113.08 2k8m n LEU 47 Ca -0.12 0.00 0.23 0.00 -0.00 0.00 0.00 56.01 56.12 2k8m n LEU 47 Cb 0.55 0.00 0.35 0.00 -0.00 0.00 0.00 43.42 44.32 2k8m n LEU 47 CO 0.29 -0.46 1.18 -2.65 -0.00 0.00 0.00 177.39 175.75 2k8m n PRO 48 N -0.92 0.02 -0.05 1.47 -0.02 -1.26 -1.66 135.00 132.57 2k8m n PRO 48 Ca 0.00 0.98 -0.15 0.00 -2.02 0.00 0.00 63.50 62.31 2k8m n PRO 48 Cb 0.00 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 30.92 2k8m n PRO 48 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k8m h ASP 49 N 0.00 -1.76 -2.19 2.55 3.58 -1.95 -3.45 116.42 113.20 2k8m h ASP 49 Ca 0.41 0.22 -0.27 0.00 0.42 0.00 0.00 57.03 57.81 2k8m h ASP 49 Cb 2.71 0.70 -0.07 0.00 1.72 0.00 0.00 39.33 44.39 2k8m h ASP 49 CO -0.00 -0.46 -0.28 0.29 -2.88 0.00 0.00 179.24 175.91 2k8m n LYS 50 N -5.42 -1.59 -0.84 0.28 4.76 -0.66 -4.83 118.16 109.86 2k8m n LYS 50 Ca -0.05 0.73 -0.17 0.00 -2.87 0.00 0.00 58.31 55.95 2k8m n LYS 50 Cb 0.37 -5.10 0.07 0.00 -1.84 0.00 0.00 35.03 28.53 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 -2.20 1.83 -3.64 1.97 5.02 -1.26 -4.82 118.16 115.06 2k8m n LYS 51 Ca -0.14 -1.78 -0.06 0.00 -2.02 0.00 0.00 58.31 54.31 2k8m n LYS 51 Cb 0.50 -1.70 -0.07 0.00 -0.02 0.00 0.00 35.03 33.74 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 -2.01 0.32 -0.28 1.97 -2.85 -1.26 -4.83 119.74 110.80 2k8m s LYS 52 Ca 0.34 0.39 -0.22 0.00 -1.00 0.00 0.00 55.97 55.48 2k8m s LYS 52 Cb 0.28 0.15 0.09 0.00 -2.06 0.00 0.00 37.83 36.28 2k8m s LYS 52 CO 0.03 -0.04 0.77 0.21 0.10 0.00 0.00 175.35 176.42 2k8m s LYS 53 N 0.21 0.72 -0.18 1.78 2.20 -1.26 -4.69 119.74 118.52 2k8m s LYS 53 Ca 0.04 0.99 -0.10 0.00 -0.36 0.00 0.00 55.97 56.54 2k8m s LYS 53 Cb -0.05 0.28 0.06 0.00 -1.51 0.00 0.00 37.83 36.61 2k8m s LYS 53 CO -0.10 -0.11 0.43 0.12 -0.36 0.00 0.00 175.35 175.33 2k8m s PHE 54 N 0.81 -0.64 -0.17 4.03 5.36 -1.26 -5.06 117.98 121.04 2k8m s PHE 54 Ca -0.03 1.36 -0.06 0.00 -0.96 0.00 0.00 56.93 57.23 2k8m s PHE 54 Cb -0.05 0.30 -0.04 0.00 -0.34 0.00 0.00 43.02 42.89 2k8m s PHE 54 CO -0.07 -0.36 0.03 -2.00 -1.46 0.00 0.00 175.22 171.35 2k8m s GLU 55 N 1.45 3.86 0.72 10.12 2.56 -1.26 -3.22 118.70 132.94 2k8m s GLU 55 Ca -0.09 -0.40 -0.05 0.00 0.00 0.00 0.00 54.97 54.43 2k8m s GLU 55 Cb -0.08 -3.11 0.10 0.00 2.00 0.00 0.00 34.13 33.04 2k8m s GLU 55 CO -0.13 0.28 1.01 0.95 -0.56 0.00 0.00 175.26 176.81 2k8m s THR 56 N 0.32 2.25 0.03 -1.70 -4.23 -1.25 -5.03 115.64 106.02 2k8m s THR 56 Ca 0.01 -0.41 -0.30 0.00 -1.18 0.00 0.00 61.69 59.81 2k8m s THR 56 Cb -0.13 -2.84 -0.05 0.00 1.34 0.00 0.00 72.50 70.82 2k8m s THR 56 CO 0.01 0.00 1.26 -0.75 -0.54 0.00 0.00 174.62 174.60 2k8m s LYS 57 N -5.23 4.37 -0.13 3.99 2.36 -1.26 -4.93 119.74 118.92 2k8m s LYS 57 Ca 0.64 1.82 -0.29 0.00 -2.55 0.00 0.00 55.97 55.58 2k8m s LYS 57 Cb -0.08 -3.43 -0.07 0.00 -1.05 0.00 0.00 37.83 33.21 2k8m s LYS 57 CO 0.45 -0.38 2.13 1.55 1.55 0.00 0.00 175.35 180.65 2k8m n VAL 58 N 4.22 0.49 -2.46 4.02 3.14 -1.26 -4.81 118.33 121.68 2k8m n VAL 58 Ca 0.10 -0.34 -0.43 0.00 -2.96 0.00 0.00 64.34 60.71 2k8m n VAL 58 Cb 0.45 -2.45 0.00 0.00 -1.06 0.00 0.00 33.84 30.78 2k8m n VAL 58 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2k8m n HIS 59 N 10.14 4.39 -1.75 1.45 -0.00 -1.26 -4.96 115.22 123.23 2k8m n HIS 59 Ca 0.27 -2.95 -0.42 0.00 -0.00 0.00 0.00 57.72 54.61 2k8m n HIS 59 Cb 0.43 -2.51 -0.03 0.00 -0.00 0.00 0.00 29.99 27.88 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 3.33 4.14 -0.56 -0.41 1.04 -1.26 -3.66 118.95 121.57 2k8m s ARG 60 Ca 0.50 2.58 -0.18 0.00 -1.04 0.00 0.00 55.73 57.59 2k8m s ARG 60 Cb 0.05 -3.12 0.03 0.00 -2.04 0.00 0.00 34.95 29.86 2k8m s ARG 60 CO 0.03 -0.74 0.64 1.63 -0.04 0.00 0.00 175.30 176.81 2k8m n LYS 61 N 4.12 -1.91 -3.59 3.89 4.76 -0.82 -4.94 118.16 119.66 2k8m n LYS 61 Ca 0.16 1.55 -0.09 0.00 -2.87 0.00 0.00 58.31 57.06 2k8m n LYS 61 Cb 0.36 -3.92 -0.05 0.00 -1.84 0.00 0.00 35.03 29.57 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 -2.37 0.00 -0.06 -0.18 -1.32 -0.02 -4.89 115.64 106.80 2k8m s THR 62 Ca 0.21 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.78 2k8m s THR 62 Cb -0.04 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.10 2k8m s THR 62 CO 0.82 0.00 1.05 0.18 -2.21 0.00 0.00 174.62 174.47 2k8m n LEU 63 N 0.84 2.01 -2.83 9.08 4.77 -1.26 -4.03 117.00 125.58 2k8m n LEU 63 Ca -0.09 -2.41 -0.09 0.00 -0.03 0.00 0.00 56.01 53.38 2k8m n LEU 63 Cb 0.58 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.48 2k8m n LEU 63 CO 0.13 0.57 0.10 -3.20 -1.33 0.00 0.00 177.39 173.67 2k8m n ASN 64 N -0.92 -2.63 -4.69 -1.43 5.15 -1.26 -3.67 115.26 105.81 2k8m n ASN 64 Ca 0.08 -3.10 -0.42 0.00 -0.60 0.00 0.00 54.58 50.53 2k8m n ASN 64 Cb 0.47 1.46 -0.03 0.00 -0.53 0.00 0.00 39.78 41.15 2k8m n ASN 64 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k8m s PRO 65 N 0.52 4.37 -0.58 1.20 0.04 -1.25 -4.94 135.00 134.37 2k8m s PRO 65 Ca 0.32 1.59 0.03 0.00 0.04 0.00 0.00 61.00 62.98 2k8m s PRO 65 Cb 0.16 -3.55 0.14 0.00 0.04 0.00 0.00 34.50 31.28 2k8m s PRO 65 CO -0.18 -0.41 0.34 0.14 0.04 0.00 0.00 177.00 176.92 2k8m s VAL 66 N 2.17 2.84 0.00 -0.36 -7.23 -1.26 -3.68 120.40 112.89 2k8m s VAL 66 Ca 0.54 -3.46 0.00 0.00 -1.81 0.00 0.00 61.98 57.25 2k8m s VAL 66 Cb -0.23 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 33.78 2k8m s VAL 66 CO 0.21 -0.85 0.00 0.49 -0.31 0.00 0.00 175.10 174.63 2k8m n PHE 67 N 2.94 0.00 -2.81 2.82 3.01 -1.25 -5.07 117.46 117.09 2k8m n PHE 67 Ca 0.08 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.44 2k8m n PHE 67 Cb 0.33 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.85 2k8m n PHE 67 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2k8m n ASN 68 N -2.23 -5.67 -4.79 4.37 5.15 -1.20 -4.99 115.26 105.90 2k8m n ASN 68 Ca 0.00 -0.47 -0.33 0.00 -0.60 0.00 0.00 54.58 53.18 2k8m n ASN 68 Cb 0.45 -4.12 0.02 0.00 -0.53 0.00 0.00 39.78 35.60 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 -3.91 3.18 -0.20 1.20 8.01 -1.24 -4.85 118.70 120.88 2k8m s GLU 69 Ca 0.30 1.29 -0.04 0.00 0.01 0.00 0.00 54.97 56.53 2k8m s GLU 69 Cb -0.04 -2.01 -0.02 0.00 -4.31 0.00 0.00 34.13 27.76 2k8m s GLU 69 CO 0.56 -0.94 -0.03 -1.14 0.01 0.00 0.00 175.26 173.73 2k8m s GLN 70 N -4.00 3.51 -0.15 1.61 0.74 -1.26 -3.62 119.66 116.49 2k8m s GLN 70 Ca 0.65 -0.57 -0.01 0.00 0.05 0.00 0.00 55.36 55.48 2k8m s GLN 70 Cb -0.18 -3.00 -0.01 0.00 1.10 0.00 0.00 33.01 30.92 2k8m s GLN 70 CO 0.37 -0.03 -0.12 0.12 -0.55 0.00 0.00 175.29 175.08 2k8m s PHE 71 N 1.08 2.82 -0.60 1.67 5.36 -1.12 -5.02 117.98 122.17 2k8m s PHE 71 Ca 0.01 -0.77 -0.20 0.00 -0.96 0.00 0.00 56.93 55.01 2k8m s PHE 71 Cb -0.15 -1.89 0.08 0.00 -0.34 0.00 0.00 43.02 40.73 2k8m s PHE 71 CO 0.01 -0.31 0.78 0.99 -1.46 0.00 0.00 175.22 175.22 2k8m s THR 72 N 0.59 4.66 -1.38 0.12 2.01 -1.26 -2.09 115.64 118.29 2k8m s THR 72 Ca -0.07 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.11 2k8m s THR 72 Cb -0.16 -4.52 0.02 0.00 0.01 0.00 0.00 72.50 67.85 2k8m s THR 72 CO 0.03 -1.17 2.18 0.33 -0.69 0.00 0.00 174.62 175.30 2k8m n PHE 73 N 6.76 3.37 -1.72 4.92 7.35 -0.73 -4.91 117.46 132.51 2k8m n PHE 73 Ca -0.07 -2.84 -0.36 0.00 -0.76 0.00 0.00 57.45 53.42 2k8m n PHE 73 Cb 0.44 -2.47 -0.03 0.00 0.35 0.00 0.00 39.48 37.77 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 3.44 2.24 -0.29 -4.13 -0.14 -1.26 -2.51 119.74 117.09 2k8m s LYS 74 Ca 0.48 1.09 -0.21 0.00 -1.36 0.00 0.00 55.97 55.98 2k8m s LYS 74 Cb 0.14 -4.54 0.17 0.00 -1.68 0.00 0.00 37.83 31.91 2k8m s LYS 74 CO -0.06 -3.16 1.20 0.54 -0.76 0.00 0.00 175.35 173.10 2k8m s VAL 75 N 11.32 0.00 0.34 3.17 0.11 -1.15 -4.88 120.40 129.31 2k8m s VAL 75 Ca 0.87 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.64 2k8m s VAL 75 Cb -0.15 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.58 2k8m s VAL 75 CO 0.23 0.00 1.44 -2.65 -3.33 0.00 0.00 175.10 170.79 2k8m n PRO 76 N 2.54 2.44 0.27 1.54 -0.02 -1.26 -3.99 135.00 136.53 2k8m n PRO 76 Ca -0.14 0.86 0.18 0.00 -2.02 0.00 0.00 63.50 62.38 2k8m n PRO 76 Cb 0.57 -2.54 0.97 0.00 -0.02 0.00 0.00 33.50 32.48 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 3.27 0.00 0.00 6.00 -0.00 -1.96 0.17 116.97 124.46 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 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.99 2k8m h TYR 77 CO 0.53 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 179.35 2k8m h SER 78 N 0.00 0.00 -0.11 0.10 4.64 -2.01 -2.88 113.55 113.29 2k8m h SER 78 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k8m h SER 78 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2k8m h SER 78 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 2k8m n GLU 79 N -2.37 1.22 0.26 4.77 1.02 0.57 -4.54 120.64 121.57 2k8m n GLU 79 Ca 0.04 -1.38 0.12 0.00 -0.02 0.00 0.00 57.16 55.92 2k8m n GLU 79 Cb 0.35 -1.19 0.68 0.00 -0.02 0.00 0.00 31.44 31.26 2k8m n GLU 79 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k8m h LEU 80 N 1.77 0.00 -1.70 -4.62 6.46 -1.26 -2.55 115.31 113.40 2k8m h LEU 80 Ca 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 2k8m h LEU 80 Cb 0.50 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 2k8m h LEU 80 CO 0.00 0.14 -0.03 1.23 -0.62 0.00 0.00 178.44 179.16 2k8m h GLY 81 N 1.06 0.16 -1.33 3.75 0.00 -1.80 -2.33 103.07 102.57 2k8m h GLY 81 Ca -0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 2k8m h GLY 81 CO 0.02 0.07 -0.24 0.61 0.00 0.00 0.00 176.54 177.00 2k8m n GLY 82 N -1.25 4.95 2.47 4.60 0.00 -0.98 -4.20 105.19 110.78 2k8m n GLY 82 Ca -0.01 -1.24 -0.27 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.12 1.72 -2.70 1.61 3.00 -0.88 -5.01 118.16 114.79 2k8m n LYS 83 Ca 0.24 -4.15 -0.43 0.00 -0.00 0.00 0.00 58.31 53.98 2k8m n LYS 83 Cb 0.84 -1.97 -0.03 0.00 0.00 0.00 0.00 35.03 33.87 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 -1.69 4.29 0.38 3.15 2.01 -1.26 -4.50 115.64 118.01 2k8m s THR 84 Ca 0.35 0.94 -0.16 0.00 0.31 0.00 0.00 61.69 63.12 2k8m s THR 84 Cb 0.10 -4.55 -0.09 0.00 0.01 0.00 0.00 72.50 67.96 2k8m s THR 84 CO -0.09 -0.99 0.82 -1.48 -0.69 0.00 0.00 174.62 172.19 2k8m s LEU 85 N 4.22 3.98 0.04 4.42 2.34 -1.26 -4.32 118.68 128.10 2k8m s LEU 85 Ca 0.42 1.41 0.06 0.00 0.06 0.00 0.00 54.13 56.08 2k8m s LEU 85 Cb -0.09 -4.24 -0.02 0.00 -0.56 0.00 0.00 46.19 41.28 2k8m s LEU 85 CO 0.28 -0.30 -0.16 0.68 -1.06 0.00 0.00 176.35 175.80 2k8m s VAL 86 N -2.12 1.28 -0.28 1.48 -7.23 -0.64 -3.38 120.40 109.51 2k8m s VAL 86 Ca 0.57 -1.06 0.01 0.00 -1.81 0.00 0.00 61.98 59.69 2k8m s VAL 86 Cb -0.10 -1.14 0.06 0.00 0.56 0.00 0.00 36.38 35.76 2k8m s VAL 86 CO 0.18 0.07 -0.06 -0.32 -0.31 0.00 0.00 175.10 174.66 2k8m s MET 87 N -1.15 2.27 -0.12 4.82 1.75 0.18 -1.86 119.30 125.20 2k8m s MET 87 Ca 0.03 -1.35 -0.02 0.00 -1.25 0.00 0.00 55.69 53.10 2k8m s MET 87 Cb -0.08 -3.03 -0.03 0.00 2.84 0.00 0.00 34.83 34.53 2k8m s MET 87 CO 0.01 -0.61 -0.03 0.00 -0.65 0.00 0.00 175.02 173.74 2k8m s ALA 88 N 1.15 3.11 -0.26 4.11 0.00 -0.99 -1.64 121.76 127.24 2k8m s ALA 88 Ca -0.06 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 50.93 2k8m s ALA 88 Cb -0.20 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 2k8m s ALA 88 CO -0.04 0.41 0.33 0.54 0.00 0.00 0.00 175.76 177.01 2k8m s VAL 89 N -0.29 5.21 -0.07 0.00 0.11 -0.26 -0.52 120.40 124.58 2k8m s VAL 89 Ca 0.05 0.50 0.02 0.00 -2.93 0.00 0.00 61.98 59.62 2k8m s VAL 89 Cb -0.12 -3.66 -0.03 0.00 -1.53 0.00 0.00 36.38 31.04 2k8m s VAL 89 CO 0.02 0.20 -0.10 -0.47 -3.33 0.00 0.00 175.10 171.41 2k8m s TYR 90 N 1.86 2.83 0.30 1.54 5.04 0.64 -1.69 117.35 127.86 2k8m s TYR 90 Ca 0.14 -0.11 -0.07 0.00 -2.44 0.00 0.00 57.07 54.59 2k8m s TYR 90 Cb -0.16 -1.69 -0.06 0.00 0.35 0.00 0.00 41.96 40.40 2k8m s TYR 90 CO 0.09 0.22 0.59 0.34 -1.34 0.00 0.00 175.55 175.46 2k8m s ASP 91 N -0.66 6.51 -0.41 4.32 2.15 -1.21 -0.36 116.67 127.01 2k8m s ASP 91 Ca 0.10 0.85 0.11 0.00 0.43 0.00 0.00 52.55 54.04 2k8m s ASP 91 Cb -0.11 -2.20 0.37 0.00 -0.30 0.00 0.00 42.92 40.68 2k8m s ASP 91 CO 0.01 -0.20 0.85 0.33 -0.17 0.00 0.00 175.17 175.99 2k8m n PHE 92 N -0.79 1.49 0.24 -5.34 7.35 0.67 -4.73 117.46 116.34 2k8m n PHE 92 Ca -0.00 -3.63 0.14 0.00 -0.76 0.00 0.00 57.45 53.20 2k8m n PHE 92 Cb 0.54 -0.40 0.75 0.00 0.35 0.00 0.00 39.48 40.72 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 2.96 0.00 -0.96 -2.13 2.03 -1.89 -3.43 116.42 113.00 2k8m h ASP 93 Ca 0.09 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.15 2k8m h ASP 93 Cb 0.90 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.33 2k8m h ASP 93 CO 0.60 0.00 -0.25 0.54 -1.03 0.00 0.00 179.24 179.10 2k8m n ARG 94 N -2.55 -0.87 0.03 4.15 3.00 -1.26 -4.75 116.66 114.42 2k8m n ARG 94 Ca -0.02 0.80 0.00 0.00 -0.01 0.00 0.00 57.85 58.62 2k8m n ARG 94 Cb 0.16 -4.86 0.00 0.00 0.00 0.00 0.00 32.46 27.76 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 -3.13 -1.76 -1.42 -1.55 7.35 -1.26 -5.14 117.46 110.56 2k8m n PHE 95 Ca -0.13 0.18 -0.29 0.00 -0.76 0.00 0.00 57.45 56.46 2k8m n PHE 95 Cb 0.47 0.83 0.16 0.00 0.35 0.00 0.00 39.48 41.28 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 -2.53 3.02 -1.37 -2.13 0.01 -1.26 -4.88 113.70 104.56 2k8m s SER 96 Ca 0.00 0.96 -0.16 0.00 1.31 0.00 0.00 55.95 58.05 2k8m s SER 96 Cb 0.00 -1.50 0.05 0.00 0.21 0.00 0.00 66.02 64.78 2k8m s SER 96 CO 0.00 -2.85 1.98 0.29 0.41 0.00 0.00 173.24 173.07 2k8m n LYS 97 N -3.96 2.99 -1.51 12.44 4.76 -1.26 -4.86 118.16 126.76 2k8m n LYS 97 Ca 0.07 -2.92 -0.49 0.00 -2.87 0.00 0.00 58.31 52.09 2k8m n LYS 97 Cb 0.59 -3.39 -0.04 0.00 -1.84 0.00 0.00 35.03 30.34 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 7.36 0.58 -4.13 2.13 1.44 -1.26 -4.99 115.22 116.35 2k8m n HIS 98 Ca 0.50 0.84 -0.27 0.00 -2.01 0.00 0.00 57.72 56.78 2k8m n HIS 98 Cb 0.43 -2.13 -0.02 0.00 0.12 0.00 0.00 29.99 28.38 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 1.79 2.91 -4.67 4.39 -0.08 -1.26 -4.89 116.55 114.74 2k8m n ASP 99 Ca 0.16 -2.95 -0.41 0.00 -1.51 0.00 0.00 54.79 50.08 2k8m n ASP 99 Cb 0.23 0.07 -0.04 0.00 2.34 0.00 0.00 41.12 43.73 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 -2.71 4.87 -0.12 5.18 1.09 -1.26 -3.35 121.20 124.91 2k8m s ILE 100 Ca 0.21 1.63 0.20 0.00 -1.10 0.00 0.00 60.65 61.59 2k8m s ILE 100 Cb -0.02 -4.14 0.18 0.00 -1.06 0.00 0.00 42.46 37.42 2k8m s ILE 100 CO 0.14 0.01 1.61 0.40 -0.10 0.00 0.00 174.94 177.00 2k8m h ILE 101 N 5.22 0.57 0.00 2.92 1.08 -1.65 -3.45 117.51 122.21 2k8m h ILE 101 Ca -0.28 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 62.59 2k8m h ILE 101 Cb 1.13 2.12 0.00 0.00 -3.07 0.00 0.00 36.82 36.99 2k8m h ILE 101 CO 0.84 0.30 0.00 0.61 -0.69 0.00 0.00 178.15 179.21 2k8m n GLY 102 N 0.84 -2.48 3.80 5.37 0.00 -1.25 -4.20 105.19 107.27 2k8m n GLY 102 Ca 0.02 -1.35 -0.05 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.95 1.46 -0.04 1.61 -1.05 -0.52 -1.11 118.70 117.11 2k8m s GLU 103 Ca 0.00 -0.82 -0.11 0.00 -0.15 0.00 0.00 54.97 53.89 2k8m s GLU 103 Cb 0.00 0.49 0.02 0.00 -0.44 0.00 0.00 34.13 34.20 2k8m s GLU 103 CO 0.00 -0.67 0.24 -0.59 0.95 0.00 0.00 175.26 175.19 2k8m s PHE 104 N -3.45 -0.16 0.02 4.83 -0.12 -0.65 -3.51 117.98 114.94 2k8m s PHE 104 Ca 0.12 0.31 -0.04 0.00 -0.05 0.00 0.00 56.93 57.28 2k8m s PHE 104 Cb -0.03 0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.40 2k8m s PHE 104 CO 0.05 -0.27 0.05 -1.59 -0.05 0.00 0.00 175.22 173.41 2k8m s LYS 105 N -0.81 0.44 -0.08 1.99 0.00 -1.26 -0.65 119.74 119.37 2k8m s LYS 105 Ca -0.09 -0.60 -0.04 0.00 0.00 0.00 0.00 55.97 55.24 2k8m s LYS 105 Cb -0.05 0.17 0.04 0.00 0.00 0.00 0.00 37.83 38.00 2k8m s LYS 105 CO 0.02 -0.10 0.18 0.54 0.00 0.00 0.00 175.35 175.99 2k8m s VAL 106 N -1.82 -0.10 -0.29 1.79 0.11 -1.22 -5.06 120.40 113.82 2k8m s VAL 106 Ca -0.12 0.21 -0.28 0.00 -2.93 0.00 0.00 61.98 58.85 2k8m s VAL 106 Cb -0.06 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 2k8m s VAL 106 CO -0.01 0.09 1.86 -2.16 -3.33 0.00 0.00 175.10 171.54 2k8m s PRO 107 N 1.45 3.36 0.00 1.54 0.04 -1.26 -4.15 135.00 135.98 2k8m s PRO 107 Ca -0.07 1.58 0.16 0.00 0.04 0.00 0.00 61.00 62.72 2k8m s PRO 107 Cb -0.11 -4.21 0.79 0.00 0.04 0.00 0.00 34.50 31.01 2k8m s PRO 107 CO -0.07 -1.82 1.49 -1.33 0.04 0.00 0.00 177.00 175.31 2k8m n MET 108 N 8.40 0.17 -0.03 4.56 2.81 -1.26 -2.51 117.12 129.26 2k8m n MET 108 Ca 0.24 0.16 -0.16 0.00 -1.81 0.00 0.00 57.70 56.13 2k8m n MET 108 Cb 0.46 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.38 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 0.46 0.95 7.83 -1.24 -1.73 -3.29 115.58 118.56 2k8m h ASN 109 Ca 0.00 -0.67 -0.22 0.00 0.71 0.00 0.00 56.30 56.13 2k8m h ASN 109 Cb 0.19 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 2k8m h ASN 109 CO 0.00 1.05 -1.07 0.74 -1.29 0.00 0.00 177.43 176.86 2k8m h THR 110 N -0.10 1.63 -2.57 -3.57 2.02 -1.87 -3.42 112.91 105.03 2k8m h THR 110 Ca -0.03 -3.36 -0.60 0.00 0.77 0.00 0.00 66.41 63.20 2k8m h THR 110 Cb 1.05 2.81 -0.12 0.00 -1.74 0.00 0.00 68.15 70.15 2k8m h THR 110 CO 0.08 0.93 0.72 -0.69 0.37 0.00 0.00 175.52 176.93 2k8m s VAL 111 N -2.70 4.12 0.73 3.16 1.01 -1.04 -5.01 120.40 120.66 2k8m s VAL 111 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 2k8m s VAL 111 Cb 0.10 -4.76 0.03 0.00 0.00 0.00 0.00 36.38 31.75 2k8m s VAL 111 CO 0.82 -1.59 1.08 1.51 0.00 0.00 0.00 175.10 176.93 2k8m s ASP 112 N 3.68 4.90 -0.55 3.32 1.47 -1.26 -4.76 116.67 123.46 2k8m s ASP 112 Ca 0.27 1.79 0.02 0.00 1.18 0.00 0.00 52.55 55.81 2k8m s ASP 112 Cb -0.14 -2.52 0.43 0.00 -0.34 0.00 0.00 42.92 40.35 2k8m s ASP 112 CO 0.12 -1.77 1.59 2.22 0.68 0.00 0.00 175.17 178.01 2k8m n PHE 113 N -3.19 3.08 -0.29 2.11 1.16 -1.26 -4.77 117.46 114.30 2k8m n PHE 113 Ca 0.09 -2.67 0.05 0.00 -1.87 0.00 0.00 57.45 53.05 2k8m n PHE 113 Cb 0.53 -0.78 0.26 0.00 -1.61 0.00 0.00 39.48 37.89 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 2.39 1.30 0.00 4.97 0.00 -2.01 -3.45 103.07 106.27 2k8m h GLY 114 Ca 0.46 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2k8m h GLY 114 CO 1.16 0.27 0.00 1.57 0.00 0.00 0.00 176.54 179.54 2k8m n HIS 115 N -4.50 0.00 -3.81 5.60 -0.00 -1.26 -5.15 115.22 106.10 2k8m n HIS 115 Ca 0.14 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.21 2k8m n HIS 115 Cb 0.23 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.02 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 0.10 -0.50 3.57 -7.23 -1.26 -4.48 120.40 110.60 2k8m s VAL 116 Ca 0.00 -0.81 0.03 0.00 -1.81 0.00 0.00 61.98 59.39 2k8m s VAL 116 Cb 0.00 -0.92 0.15 0.00 0.56 0.00 0.00 36.38 36.17 2k8m s VAL 116 CO 0.00 -0.45 0.32 -0.89 -0.31 0.00 0.00 175.10 173.77 2k8m s THR 117 N -2.55 1.56 -0.19 5.32 2.01 0.21 -4.97 115.64 117.03 2k8m s THR 117 Ca -0.05 -2.99 -0.05 0.00 0.31 0.00 0.00 61.69 58.91 2k8m s THR 117 Cb -0.01 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 2k8m s THR 117 CO -0.04 -0.99 0.01 -1.61 -0.69 0.00 0.00 174.62 171.30 2k8m s GLU 118 N -0.14 3.70 0.17 4.92 8.01 -1.26 -0.58 118.70 133.52 2k8m s GLU 118 Ca 0.22 -0.49 -0.24 0.00 0.01 0.00 0.00 54.97 54.48 2k8m s GLU 118 Cb -0.14 -3.08 0.06 0.00 -4.31 0.00 0.00 34.13 26.66 2k8m s GLU 118 CO -0.08 0.10 0.85 -1.83 0.01 0.00 0.00 175.26 174.31 2k8m s GLU 119 N 0.77 1.34 -0.83 1.61 -1.05 -0.62 -4.99 118.70 114.91 2k8m s GLU 119 Ca 0.01 -0.70 -0.08 0.00 -0.15 0.00 0.00 54.97 54.05 2k8m s GLU 119 Cb -0.14 0.48 0.21 0.00 -0.44 0.00 0.00 34.13 34.24 2k8m s GLU 119 CO 0.02 -0.61 0.74 1.67 0.95 0.00 0.00 175.26 178.03 2k8m s TRP 120 N -3.50 3.77 0.25 4.83 -2.14 -1.26 -1.69 118.94 119.19 2k8m s TRP 120 Ca 0.10 -2.52 -0.30 0.00 2.66 0.00 0.00 56.10 56.04 2k8m s TRP 120 Cb -0.03 -3.54 -0.09 0.00 -3.10 0.00 0.00 33.47 26.72 2k8m s TRP 120 CO 0.01 -0.89 1.15 0.50 -2.66 0.00 0.00 176.95 175.06 2k8m s ARG 121 N -0.45 4.56 0.22 3.25 6.06 -0.62 -4.74 118.95 127.24 2k8m s ARG 121 Ca 0.22 1.86 -0.30 0.00 -2.50 0.00 0.00 55.73 55.01 2k8m s ARG 121 Cb -0.12 -3.20 -0.09 0.00 0.06 0.00 0.00 34.95 31.60 2k8m s ARG 121 CO -0.08 0.07 1.17 0.16 -2.50 0.00 0.00 175.30 174.12 2k8m s ASP 122 N -0.45 7.13 -0.05 -2.12 -4.77 -1.26 -1.12 116.67 114.02 2k8m s ASP 122 Ca 0.48 2.26 -0.04 0.00 -3.30 0.00 0.00 52.55 51.95 2k8m s ASP 122 Cb -0.33 -2.61 -0.04 0.00 -1.09 0.00 0.00 42.92 38.85 2k8m s ASP 122 CO 0.40 -0.31 0.12 -0.76 0.70 0.00 0.00 175.17 175.33 2k8m s LEU 123 N -0.65 4.18 -0.02 2.11 1.43 0.96 -4.91 118.68 121.76 2k8m s LEU 123 Ca 0.50 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.98 2k8m s LEU 123 Cb -0.33 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 2k8m s LEU 123 CO 0.39 0.33 -0.20 0.00 0.23 0.00 0.00 176.35 177.09 2k8m s GLN 124 N -1.46 1.76 -1.32 1.70 -2.07 -1.23 -1.24 119.66 115.79 2k8m s GLN 124 Ca 0.20 -0.72 -0.17 0.00 -1.82 0.00 0.00 55.36 52.85 2k8m s GLN 124 Cb -0.12 -1.64 0.06 0.00 -1.09 0.00 0.00 33.01 30.22 2k8m s GLN 124 CO 0.11 0.39 1.84 -1.13 -1.32 0.00 0.00 175.29 175.18 2k8m n SER 125 N 2.73 4.66 -4.60 12.60 3.41 -1.26 -1.43 113.62 129.73 2k8m n SER 125 Ca -0.16 -2.90 -0.42 0.00 -0.26 0.00 0.00 58.87 55.13 2k8m n SER 125 Cb 0.53 -1.73 -0.04 0.00 -0.26 0.00 0.00 64.21 62.71 2k8m n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k8m s ALA 126 N 4.29 3.43 0.40 7.33 0.00 -1.26 -4.84 121.76 131.12 2k8m s ALA 126 Ca 0.53 -0.51 -0.25 0.00 0.00 0.00 0.00 51.96 51.74 2k8m s ALA 126 Cb 0.06 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 2k8m s ALA 126 CO 0.05 -1.51 1.14 -1.21 0.00 0.00 0.00 175.76 174.24 2k8m s GLU 127 N 3.28 4.09 0.00 0.00 8.01 -1.26 -4.44 118.70 128.37 2k8m s GLU 127 Ca 0.35 1.77 0.00 0.00 0.01 0.00 0.00 54.97 57.10 2k8m s GLU 127 Cb -0.13 -2.66 0.00 0.00 -4.31 0.00 0.00 34.13 27.03 2k8m s GLU 127 CO 0.17 -0.27 0.26 1.63 0.01 0.00 0.00 175.26 177.05