#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 0.60 0.00 3.49 0.00 -1.26 -4.76 119.74 117.81 2k8m s LYS 2 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 55.97 56.40 2k8m s LYS 2 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 37.83 38.05 2k8m s LYS 2 CO 0.00 -1.07 0.05 -0.11 0.00 0.00 0.00 175.35 174.22 2k8m n LEU 3 N 5.28 0.10 0.00 2.77 7.94 -0.54 -4.58 117.00 127.97 2k8m n LEU 3 Ca 0.06 -0.49 0.00 0.00 -1.11 0.00 0.00 56.01 54.47 2k8m n LEU 3 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 2k8m n LEU 3 CO -0.05 0.03 0.00 0.61 -1.11 0.00 0.00 177.39 176.87 2k8m n GLY 4 N 0.78 0.34 3.00 -3.96 0.00 -1.20 -3.84 105.19 100.32 2k8m n GLY 4 Ca 0.00 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.01 1.61 1.02 -0.72 -0.32 119.74 121.65 2k8m s LYS 5 Ca 0.00 -0.55 0.04 0.00 0.02 0.00 0.00 55.97 55.47 2k8m s LYS 5 Cb 0.00 0.13 -0.01 0.00 -0.52 0.00 0.00 37.83 37.43 2k8m s LYS 5 CO 0.00 -0.06 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.07 2k8m s LEU 6 N -1.41 2.00 -0.20 3.17 0.20 0.85 -0.20 118.68 123.08 2k8m s LEU 6 Ca -0.15 -0.24 -0.09 0.00 0.69 0.00 0.00 54.13 54.33 2k8m s LEU 6 Cb -0.09 -0.69 -0.05 0.00 -0.43 0.00 0.00 46.19 44.93 2k8m s LEU 6 CO -0.00 0.15 0.11 -1.10 -0.29 0.00 0.00 176.35 175.22 2k8m s GLN 7 N -0.25 4.08 0.02 1.98 -1.52 -0.27 -0.99 119.66 122.72 2k8m s GLN 7 Ca 0.04 -0.28 -0.12 0.00 -1.95 0.00 0.00 55.36 53.05 2k8m s GLN 7 Cb -0.06 -3.36 0.01 0.00 -0.22 0.00 0.00 33.01 29.39 2k8m s GLN 7 CO -0.00 0.24 0.26 1.52 -0.25 0.00 0.00 175.29 177.06 2k8m s TYR 8 N 0.49 -0.07 -0.07 0.91 1.13 -1.15 -0.32 117.35 118.27 2k8m s TYR 8 Ca 0.06 -0.01 0.01 0.00 -1.41 0.00 0.00 57.07 55.72 2k8m s TYR 8 Cb -0.12 0.05 0.02 0.00 -1.10 0.00 0.00 41.96 40.81 2k8m s TYR 8 CO -0.00 -0.43 -0.06 -1.54 -2.51 0.00 0.00 175.55 171.01 2k8m s SER 9 N -1.77 1.49 -0.07 -0.18 1.04 -0.17 -2.64 113.70 111.40 2k8m s SER 9 Ca -0.09 -0.19 0.05 0.00 0.48 0.00 0.00 55.95 56.20 2k8m s SER 9 Cb -0.03 -0.60 -0.01 0.00 0.10 0.00 0.00 66.02 65.48 2k8m s SER 9 CO -0.01 -0.08 -0.23 -0.76 0.98 0.00 0.00 173.24 173.15 2k8m s LEU 10 N 1.23 2.03 0.11 2.42 1.43 0.41 -2.15 118.68 124.16 2k8m s LEU 10 Ca -0.05 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 52.62 2k8m s LEU 10 Cb -0.14 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 2k8m s LEU 10 CO -0.02 0.19 -0.16 1.51 0.23 0.00 0.00 176.35 178.11 2k8m s ASP 11 N 0.05 2.10 -0.12 2.29 -4.77 -1.08 -0.12 116.67 115.02 2k8m s ASP 11 Ca -0.08 -0.75 -0.06 0.00 -3.30 0.00 0.00 52.55 48.36 2k8m s ASP 11 Cb -0.15 -0.09 -0.04 0.00 -1.09 0.00 0.00 42.92 41.56 2k8m s ASP 11 CO 0.05 -0.08 0.10 -0.72 0.70 0.00 0.00 175.17 175.22 2k8m s TYR 12 N -1.76 3.45 -0.05 2.11 1.13 -1.26 -0.45 117.35 120.52 2k8m s TYR 12 Ca 0.07 0.40 0.04 0.00 -1.41 0.00 0.00 57.07 56.17 2k8m s TYR 12 Cb -0.07 -1.92 -0.00 0.00 -1.10 0.00 0.00 41.96 38.87 2k8m s TYR 12 CO 0.03 0.61 -0.17 0.34 -2.51 0.00 0.00 175.55 173.86 2k8m s ASP 13 N -0.83 2.11 0.00 -0.18 -1.08 -0.68 -4.97 116.67 111.04 2k8m s ASP 13 Ca 0.13 -0.35 0.14 0.00 -0.52 0.00 0.00 52.55 51.96 2k8m s ASP 13 Cb -0.12 -0.64 0.15 0.00 -1.46 0.00 0.00 42.92 40.86 2k8m s ASP 13 CO 0.03 0.14 1.00 2.22 0.52 0.00 0.00 175.17 179.08 2k8m n PHE 14 N 3.23 0.08 0.06 -5.34 1.16 -1.26 -2.15 117.46 113.24 2k8m n PHE 14 Ca -0.19 -0.07 -0.04 0.00 -1.87 0.00 0.00 57.45 55.28 2k8m n PHE 14 Cb 0.53 -0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.31 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 2.72 0.00 0.00 3.97 3.07 -1.95 -3.34 115.11 119.58 2k8m h GLN 15 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2k8m h GLN 15 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.17 2k8m h GLN 15 CO 0.00 0.70 0.00 0.27 0.09 0.00 0.00 178.83 179.89 2k8m n ASN 16 N -3.21 0.65 -3.18 0.06 0.23 -1.26 -5.05 115.26 103.50 2k8m n ASN 16 Ca -0.04 -0.85 -0.07 0.00 -0.53 0.00 0.00 54.58 53.09 2k8m n ASN 16 Cb 0.90 0.24 0.02 0.00 -2.08 0.00 0.00 39.78 38.86 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 -0.24 -7.22 -3.77 0.53 2.85 -1.18 -4.97 115.26 101.25 2k8m n ASN 17 Ca 0.00 -0.33 -0.06 0.00 -0.11 0.00 0.00 54.58 54.08 2k8m n ASN 17 Cb 0.02 -4.99 -0.01 0.00 1.24 0.00 0.00 39.78 36.03 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 -3.62 1.57 -0.11 1.20 1.03 -0.91 -3.75 119.66 115.07 2k8m s GLN 18 Ca 0.14 -0.88 -0.01 0.00 0.04 0.00 0.00 55.36 54.66 2k8m s GLN 18 Cb -0.02 0.53 -0.03 0.00 0.03 0.00 0.00 33.01 33.52 2k8m s GLN 18 CO 0.76 -0.72 -0.07 -0.51 -2.54 0.00 0.00 175.29 172.22 2k8m s LEU 19 N -2.95 3.13 -0.55 2.60 1.43 -1.01 -1.68 118.68 119.65 2k8m s LEU 19 Ca 0.12 -0.10 -0.22 0.00 -1.03 0.00 0.00 54.13 52.89 2k8m s LEU 19 Cb -0.04 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.52 2k8m s LEU 19 CO 0.05 0.27 0.86 -0.22 0.23 0.00 0.00 176.35 177.54 2k8m s LEU 20 N -0.24 4.39 -0.69 1.79 1.98 0.40 -1.25 118.68 125.06 2k8m s LEU 20 Ca 0.03 -0.61 -0.20 0.00 -2.89 0.00 0.00 54.13 50.47 2k8m s LEU 20 Cb -0.13 -2.66 0.10 0.00 0.66 0.00 0.00 46.19 44.17 2k8m s LEU 20 CO 0.03 -1.16 0.87 -0.69 -1.89 0.00 0.00 176.35 173.50 2k8m s VAL 21 N 3.59 4.69 -0.41 1.68 1.01 -0.46 -2.64 120.40 127.85 2k8m s VAL 21 Ca 0.25 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 2k8m s VAL 21 Cb -0.15 -4.60 0.10 0.00 0.00 0.00 0.00 36.38 31.72 2k8m s VAL 21 CO 0.16 -1.30 0.23 -0.83 0.00 0.00 0.00 175.10 173.36 2k8m s GLY 22 N 3.57 1.97 -0.07 4.51 0.00 -0.91 -0.97 107.32 115.41 2k8m s GLY 22 Ca 0.19 -2.37 -0.19 0.00 0.00 0.00 0.00 44.72 42.35 2k8m s GLY 22 CO 0.04 1.00 0.52 -0.26 0.00 0.00 0.00 173.10 174.40 2k8m s ILE 23 N 1.26 5.09 -0.04 0.90 -0.00 -1.19 -1.00 121.20 126.22 2k8m s ILE 23 Ca 0.05 1.07 -0.00 0.00 -0.00 0.00 0.00 60.65 61.77 2k8m s ILE 23 Cb -0.23 -3.86 -0.00 0.00 -0.00 0.00 0.00 42.46 38.37 2k8m s ILE 23 CO -0.02 0.36 0.03 0.40 -0.00 0.00 0.00 174.94 175.72 2k8m h ILE 24 N 4.48 0.00 -2.33 8.37 2.04 -1.02 -3.11 117.51 125.94 2k8m h ILE 24 Ca -0.43 -0.43 0.14 0.00 1.00 0.00 0.00 64.86 65.13 2k8m h ILE 24 Cb 1.19 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.15 2k8m h ILE 24 CO 0.73 0.00 0.48 0.00 0.00 0.00 0.00 178.15 179.36 2k8m s GLN 25 N -1.31 1.00 0.06 2.37 1.03 -1.20 -2.74 119.66 118.87 2k8m s GLN 25 Ca -0.00 -0.46 0.08 0.00 0.04 0.00 0.00 55.36 55.02 2k8m s GLN 25 Cb 0.00 0.40 -0.03 0.00 0.03 0.00 0.00 33.01 33.40 2k8m s GLN 25 CO 0.01 -0.45 -0.21 0.00 -2.54 0.00 0.00 175.29 172.10 2k8m s ALA 26 N -3.21 2.49 0.09 2.60 0.00 -1.26 -1.12 121.76 121.35 2k8m s ALA 26 Ca 0.08 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 50.83 2k8m s ALA 26 Cb -0.01 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 2k8m s ALA 26 CO -0.04 0.56 -0.13 0.00 0.00 0.00 0.00 175.76 176.15 2k8m s ALA 27 N -0.93 1.21 -1.08 0.00 0.00 0.72 -3.63 121.76 118.04 2k8m s ALA 27 Ca 0.14 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 50.95 2k8m s ALA 27 Cb -0.10 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.96 2k8m s ALA 27 CO 0.05 0.11 0.80 0.39 0.00 0.00 0.00 175.76 177.11 2k8m n GLU 28 N 1.00 -5.55 -2.55 0.00 -0.58 -1.24 -1.76 120.64 109.95 2k8m n GLU 28 Ca -0.19 0.65 -0.38 0.00 -0.42 0.00 0.00 57.16 56.82 2k8m n GLU 28 Cb 0.55 -5.11 -0.04 0.00 -0.57 0.00 0.00 31.44 26.27 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 -5.70 4.36 0.69 -4.62 1.43 -1.21 -3.89 118.68 109.75 2k8m s LEU 29 Ca 0.40 2.10 -0.14 0.00 -1.03 0.00 0.00 54.13 55.46 2k8m s LEU 29 Cb -0.18 -3.90 0.02 0.00 0.03 0.00 0.00 46.19 42.16 2k8m s LEU 29 CO 0.49 -0.26 1.12 -2.84 0.23 0.00 0.00 176.35 175.09 2k8m s PRO 30 N -1.93 2.60 0.42 1.29 0.02 -1.26 -4.90 135.00 131.23 2k8m s PRO 30 Ca 0.50 1.39 -0.09 0.00 0.02 0.00 0.00 61.00 62.83 2k8m s PRO 30 Cb -0.26 -1.92 -0.05 0.00 0.02 0.00 0.00 34.50 32.28 2k8m s PRO 30 CO 0.33 -1.41 0.76 0.00 -0.33 0.00 0.00 177.00 176.35 2k8m s ALA 31 N -2.41 3.38 0.25 -1.55 0.00 -1.26 -4.73 121.76 115.45 2k8m s ALA 31 Ca 0.67 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2k8m s ALA 31 Cb -0.21 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.27 2k8m s ALA 31 CO 0.45 -0.09 0.00 -0.11 0.00 0.00 0.00 175.76 176.01 2k8m n LEU 32 N -1.55 0.03 -4.78 0.00 -0.00 -0.58 -4.96 117.00 105.17 2k8m n LEU 32 Ca 0.02 0.43 -0.41 0.00 -0.00 0.00 0.00 56.01 56.04 2k8m n LEU 32 Cb 0.54 0.29 -0.00 0.00 -0.00 0.00 0.00 43.42 44.25 2k8m n LEU 32 CO 0.49 -0.78 1.13 -0.62 -0.00 0.00 0.00 177.39 177.61 2k8m s ASP 33 N -5.12 6.31 -0.50 1.96 2.15 0.04 -4.83 116.67 116.68 2k8m s ASP 33 Ca 0.00 3.04 -0.26 0.00 0.43 0.00 0.00 52.55 55.76 2k8m s ASP 33 Cb 0.00 -2.67 -0.06 0.00 -0.30 0.00 0.00 42.92 39.89 2k8m s ASP 33 CO 0.00 -0.89 2.36 -0.32 -0.17 0.00 0.00 175.17 176.14 2k8m s MET 34 N -2.12 2.16 0.00 4.34 -2.45 -1.26 -3.18 119.30 116.78 2k8m s MET 34 Ca 0.53 1.35 0.00 0.00 -1.25 0.00 0.00 55.69 56.32 2k8m s MET 34 Cb -0.46 -4.56 0.00 0.00 1.25 0.00 0.00 34.83 31.05 2k8m s MET 34 CO 0.63 -3.22 0.00 0.41 1.05 0.00 0.00 175.02 173.89 2k8m n GLY 35 N 5.97 -0.36 2.13 2.11 0.00 -1.26 -4.89 105.19 108.90 2k8m n GLY 35 Ca 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.32 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 0.66 3.32 -0.02 0.00 -1.19 -5.01 105.19 102.94 2k8m n GLY 36 Ca 0.00 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.18 0.24 0.23 2.61 -4.23 -1.23 -4.82 115.64 106.26 2k8m s THR 37 Ca 0.00 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.36 2k8m s THR 37 Cb 0.00 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.35 2k8m s THR 37 CO 0.00 0.00 0.50 -0.44 -0.54 0.00 0.00 174.62 174.14 2k8m s SER 38 N -3.37 -0.15 -0.63 3.99 0.01 -1.26 -0.78 113.70 111.51 2k8m s SER 38 Ca 0.36 -0.75 0.06 0.00 1.31 0.00 0.00 55.95 56.93 2k8m s SER 38 Cb 0.04 0.59 0.25 0.00 0.21 0.00 0.00 66.02 67.11 2k8m s SER 38 CO 0.19 -1.12 0.75 0.47 0.41 0.00 0.00 173.24 173.94 2k8m n ASP 39 N -0.36 3.71 -4.72 2.44 9.92 -1.26 -1.32 116.55 124.95 2k8m n ASP 39 Ca -0.05 -3.44 -0.38 0.00 -0.53 0.00 0.00 54.79 50.39 2k8m n ASP 39 Cb 0.62 -0.67 -0.06 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 -2.48 4.36 -0.02 -0.24 0.04 -1.24 -0.20 135.00 135.22 2k8m s PRO 40 Ca 0.40 0.57 0.03 0.00 0.04 0.00 0.00 61.00 62.04 2k8m s PRO 40 Cb 0.15 -3.43 -0.00 0.00 0.04 0.00 0.00 34.50 31.26 2k8m s PRO 40 CO -0.01 0.15 -0.12 1.52 0.04 0.00 0.00 177.00 178.58 2k8m s TYR 41 N 0.60 1.18 -0.26 0.56 1.13 0.15 -4.00 117.35 116.70 2k8m s TYR 41 Ca 0.29 -0.28 -0.24 0.00 -1.41 0.00 0.00 57.07 55.43 2k8m s TYR 41 Cb -0.16 -0.80 -0.00 0.00 -1.10 0.00 0.00 41.96 39.90 2k8m s TYR 41 CO 0.13 -0.08 0.82 0.14 -2.51 0.00 0.00 175.55 174.04 2k8m s VAL 42 N -0.02 4.81 -0.05 -3.49 -7.23 -1.26 0.07 120.40 113.22 2k8m s VAL 42 Ca -0.00 1.45 0.01 0.00 -1.81 0.00 0.00 61.98 61.63 2k8m s VAL 42 Cb -0.08 -4.13 -0.03 0.00 0.56 0.00 0.00 36.38 32.70 2k8m s VAL 42 CO 0.00 -0.14 -0.07 -1.59 -0.31 0.00 0.00 175.10 173.00 2k8m s LYS 43 N 2.90 2.71 0.20 4.82 -2.85 0.76 -3.82 119.74 124.47 2k8m s LYS 43 Ca 0.34 -0.58 -0.26 0.00 -1.00 0.00 0.00 55.97 54.47 2k8m s LYS 43 Cb -0.15 -2.57 -0.08 0.00 -2.06 0.00 0.00 37.83 32.96 2k8m s LYS 43 CO 0.09 0.65 0.83 0.14 0.10 0.00 0.00 175.35 177.16 2k8m s VAL 44 N -0.85 4.29 -0.02 1.79 -7.23 -1.21 -1.30 120.40 115.88 2k8m s VAL 44 Ca 0.13 1.78 0.03 0.00 -1.81 0.00 0.00 61.98 62.11 2k8m s VAL 44 Cb -0.11 -4.15 -0.00 0.00 0.56 0.00 0.00 36.38 32.68 2k8m s VAL 44 CO 0.03 0.46 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.82 2k8m s PHE 45 N -1.23 0.89 0.42 2.82 0.08 -0.03 -4.58 117.98 116.34 2k8m s PHE 45 Ca 0.39 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 57.28 2k8m s PHE 45 Cb -0.23 -0.61 -0.05 0.00 -0.57 0.00 0.00 43.02 41.57 2k8m s PHE 45 CO 0.27 -0.06 0.04 -0.51 -0.10 0.00 0.00 175.22 174.86 2k8m s LEU 46 N 0.02 2.37 0.00 -0.37 2.01 -1.26 -1.12 118.68 120.33 2k8m s LEU 46 Ca -0.00 -1.52 0.00 0.00 0.01 0.00 0.00 54.13 52.62 2k8m s LEU 46 Cb -0.06 -0.57 0.00 0.00 0.01 0.00 0.00 46.19 45.56 2k8m s LEU 46 CO 0.00 -0.70 0.00 0.00 1.01 0.00 0.00 176.35 176.66 2k8m n LEU 47 N -0.98 0.00 0.00 1.79 -0.00 -1.26 -4.82 117.00 111.73 2k8m n LEU 47 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 2k8m n LEU 47 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 2k8m n LEU 47 CO 0.42 -0.28 0.14 -2.65 -0.00 0.00 0.00 177.39 175.01 2k8m n PRO 48 N -0.56 0.00 0.30 1.47 -0.02 -1.26 -2.45 135.00 132.48 2k8m n PRO 48 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.31 2k8m n PRO 48 Cb 0.00 -1.43 -0.09 0.00 -0.02 0.00 0.00 33.50 31.97 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 -0.61 -6.25 2.55 3.58 -1.97 -3.46 116.42 110.25 2k8m h ASP 49 Ca 0.00 0.02 -0.46 0.00 0.42 0.00 0.00 57.03 57.01 2k8m h ASP 49 Cb 0.00 0.16 -0.18 0.00 1.72 0.00 0.00 39.33 41.03 2k8m h ASP 49 CO 0.00 -0.44 -0.69 0.29 -2.88 0.00 0.00 179.24 175.53 2k8m n LYS 50 N -5.40 -2.87 -1.27 0.28 4.76 -1.03 -4.84 118.16 107.79 2k8m n LYS 50 Ca -0.12 0.34 -0.20 0.00 -2.87 0.00 0.00 58.31 55.46 2k8m n LYS 50 Cb 0.30 -5.03 0.13 0.00 -1.84 0.00 0.00 35.03 28.59 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 -3.97 2.49 -3.62 1.97 5.02 -1.26 -4.97 118.16 113.82 2k8m n LYS 51 Ca 0.05 -3.40 -0.04 0.00 -2.02 0.00 0.00 58.31 52.90 2k8m n LYS 51 Cb 0.50 -2.10 -0.04 0.00 -0.02 0.00 0.00 35.03 33.38 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 -3.48 0.23 -0.28 1.97 -2.85 -1.26 -4.74 119.74 109.33 2k8m s LYS 52 Ca 0.53 0.03 -0.22 0.00 -1.00 0.00 0.00 55.97 55.31 2k8m s LYS 52 Cb 0.45 0.11 0.09 0.00 -2.06 0.00 0.00 37.83 36.41 2k8m s LYS 52 CO 0.02 -0.08 0.79 0.21 0.10 0.00 0.00 175.35 176.39 2k8m s LYS 53 N -1.29 0.71 -0.10 1.78 2.20 -1.26 -4.87 119.74 116.92 2k8m s LYS 53 Ca 0.06 0.96 -0.08 0.00 -0.36 0.00 0.00 55.97 56.56 2k8m s LYS 53 Cb -0.01 0.29 0.03 0.00 -1.51 0.00 0.00 37.83 36.63 2k8m s LYS 53 CO -0.05 -0.10 0.25 0.12 -0.36 0.00 0.00 175.35 175.21 2k8m s PHE 54 N 0.75 -0.29 -0.19 4.03 5.36 -1.26 -5.05 117.98 121.33 2k8m s PHE 54 Ca -0.03 0.69 0.01 0.00 -0.96 0.00 0.00 56.93 56.65 2k8m s PHE 54 Cb -0.05 0.09 0.03 0.00 -0.34 0.00 0.00 43.02 42.75 2k8m s PHE 54 CO -0.07 -0.15 -0.17 -2.00 -1.46 0.00 0.00 175.22 171.38 2k8m s GLU 55 N 0.30 2.67 0.89 10.12 2.56 -1.26 -3.30 118.70 130.68 2k8m s GLU 55 Ca -0.01 -0.91 -0.13 0.00 0.00 0.00 0.00 54.97 53.91 2k8m s GLU 55 Cb -0.03 -2.57 0.15 0.00 2.00 0.00 0.00 34.13 33.68 2k8m s GLU 55 CO -0.01 -0.31 1.24 0.95 -0.56 0.00 0.00 175.26 176.58 2k8m s THR 56 N 1.28 2.03 0.23 -1.70 -4.23 -1.25 -5.02 115.64 106.98 2k8m s THR 56 Ca 0.02 -0.06 -0.30 0.00 -1.18 0.00 0.00 61.69 60.17 2k8m s THR 56 Cb -0.15 -2.97 -0.09 0.00 1.34 0.00 0.00 72.50 70.63 2k8m s THR 56 CO -0.11 0.00 1.23 -0.75 -0.54 0.00 0.00 174.62 174.46 2k8m s LYS 57 N -5.72 4.46 -0.45 3.99 2.20 -1.26 -4.92 119.74 118.05 2k8m s LYS 57 Ca 0.69 1.98 -0.28 0.00 -0.36 0.00 0.00 55.97 58.00 2k8m s LYS 57 Cb -0.06 -3.19 -0.02 0.00 -1.51 0.00 0.00 37.83 33.05 2k8m s LYS 57 CO 0.51 -0.10 1.79 0.54 -0.36 0.00 0.00 175.35 177.73 2k8m s VAL 58 N -0.38 3.47 -1.27 4.02 0.11 -1.26 -4.70 120.40 120.38 2k8m s VAL 58 Ca 0.52 0.42 -0.15 0.00 -2.93 0.00 0.00 61.98 59.83 2k8m s VAL 58 Cb -0.35 -3.81 0.12 0.00 -1.53 0.00 0.00 36.38 30.81 2k8m s VAL 58 CO 0.41 -0.63 1.65 1.41 -3.33 0.00 0.00 175.10 174.61 2k8m n HIS 59 N 11.13 4.63 -1.88 1.54 -0.00 -1.26 -4.97 115.22 124.41 2k8m n HIS 59 Ca 0.21 -3.07 -0.42 0.00 -0.00 0.00 0.00 57.72 54.45 2k8m n HIS 59 Cb 0.49 -2.40 -0.02 0.00 -0.00 0.00 0.00 29.99 28.06 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 2.79 4.19 -0.52 -0.41 1.04 -1.26 -3.62 118.95 121.16 2k8m s ARG 60 Ca 0.48 2.45 -0.20 0.00 -1.04 0.00 0.00 55.73 57.41 2k8m s ARG 60 Cb 0.02 -3.08 0.03 0.00 -2.04 0.00 0.00 34.95 29.88 2k8m s ARG 60 CO 0.03 -0.56 0.64 1.63 -0.04 0.00 0.00 175.30 177.00 2k8m n LYS 61 N 2.65 -2.00 -3.59 3.89 4.76 -0.97 -4.96 118.16 117.94 2k8m n LYS 61 Ca 0.09 1.65 -0.11 0.00 -2.87 0.00 0.00 58.31 57.07 2k8m n LYS 61 Cb 0.38 -4.05 -0.06 0.00 -1.84 0.00 0.00 35.03 29.47 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 -2.30 0.00 -0.85 -0.18 -1.32 -0.44 -4.92 115.64 105.62 2k8m s THR 62 Ca 0.24 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.80 2k8m s THR 62 Cb -0.04 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.06 2k8m s THR 62 CO 0.82 0.00 0.90 0.18 -2.21 0.00 0.00 174.62 174.31 2k8m n LEU 63 N 1.11 2.02 -3.27 9.08 4.77 -1.26 -4.19 117.00 125.25 2k8m n LEU 63 Ca -0.12 -1.37 -0.23 0.00 -0.03 0.00 0.00 56.01 54.27 2k8m n LEU 63 Cb 0.57 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 2k8m n LEU 63 CO 0.14 0.45 -0.24 0.20 -1.33 0.00 0.00 177.39 176.61 2k8m s ASN 64 N -0.78 0.86 -1.00 -1.43 -0.87 -1.26 -3.35 114.94 107.12 2k8m s ASN 64 Ca 0.12 -2.82 -0.24 0.00 -1.57 0.00 0.00 52.86 48.35 2k8m s ASN 64 Cb 0.07 0.01 -0.06 0.00 -0.02 0.00 0.00 41.25 41.24 2k8m s ASN 64 CO 0.10 -0.15 1.95 -2.84 -2.57 0.00 0.00 177.10 173.59 2k8m s PRO 65 N 0.21 2.52 -0.13 -0.60 0.02 -1.24 -4.88 135.00 130.91 2k8m s PRO 65 Ca 0.32 -0.58 -0.19 0.00 0.02 0.00 0.00 61.00 60.57 2k8m s PRO 65 Cb 0.03 -5.12 -0.04 0.00 0.02 0.00 0.00 34.50 29.39 2k8m s PRO 65 CO -0.17 -3.61 0.54 0.14 -0.33 0.00 0.00 177.00 173.57 2k8m s VAL 66 N 10.49 5.14 0.00 3.83 -7.23 -1.26 -3.99 120.40 127.38 2k8m s VAL 66 Ca 0.70 1.07 0.00 0.00 -1.81 0.00 0.00 61.98 61.94 2k8m s VAL 66 Cb -0.05 -3.88 0.00 0.00 0.56 0.00 0.00 36.38 33.02 2k8m s VAL 66 CO 0.04 0.27 0.00 0.33 -0.31 0.00 0.00 175.10 175.44 2k8m n PHE 67 N 3.95 -0.03 -2.47 2.82 7.35 -1.22 -5.08 117.46 122.79 2k8m n PHE 67 Ca -0.05 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.61 2k8m n PHE 67 Cb 0.51 0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.35 2k8m n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2k8m n ASN 68 N -0.96 -6.00 -4.89 -2.13 5.15 -1.11 -5.03 115.26 100.30 2k8m n ASN 68 Ca 0.00 0.20 -0.32 0.00 -0.60 0.00 0.00 54.58 53.86 2k8m n ASN 68 Cb 0.00 -3.96 -0.05 0.00 -0.53 0.00 0.00 39.78 35.24 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 -2.45 3.69 -0.17 1.20 2.02 -1.18 -4.92 118.70 116.89 2k8m s GLU 69 Ca 0.10 0.05 -0.06 0.00 0.02 0.00 0.00 54.97 55.08 2k8m s GLU 69 Cb -0.03 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 2k8m s GLU 69 CO 0.52 0.45 0.03 -1.14 0.02 0.00 0.00 175.26 175.14 2k8m s GLN 70 N -2.56 3.86 -0.12 1.61 -0.44 -1.26 -3.16 119.66 117.59 2k8m s GLN 70 Ca 0.41 -0.39 0.02 0.00 -2.50 0.00 0.00 55.36 52.90 2k8m s GLN 70 Cb -0.12 -3.12 -0.01 0.00 -1.64 0.00 0.00 33.01 28.12 2k8m s GLN 70 CO 0.23 0.29 -0.18 0.12 0.50 0.00 0.00 175.29 176.25 2k8m s PHE 71 N 0.30 2.71 -0.54 1.67 5.36 -0.14 -4.99 117.98 122.33 2k8m s PHE 71 Ca 0.02 -0.81 -0.22 0.00 -0.96 0.00 0.00 56.93 54.96 2k8m s PHE 71 Cb -0.13 -1.79 0.05 0.00 -0.34 0.00 0.00 43.02 40.82 2k8m s PHE 71 CO 0.01 -0.29 0.84 0.99 -1.46 0.00 0.00 175.22 175.30 2k8m s THR 72 N 0.34 4.55 -1.27 0.12 2.01 -1.26 -1.35 115.64 118.77 2k8m s THR 72 Ca -0.14 -0.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.63 2k8m s THR 72 Cb -0.17 -4.47 0.07 0.00 0.01 0.00 0.00 72.50 67.94 2k8m s THR 72 CO 0.07 -1.04 1.71 0.12 -0.69 0.00 0.00 174.62 174.79 2k8m s PHE 73 N 3.50 2.76 -1.00 4.92 5.36 -0.38 -4.91 117.98 128.22 2k8m s PHE 73 Ca 0.24 -1.55 -0.25 0.00 -0.96 0.00 0.00 56.93 54.41 2k8m s PHE 73 Cb -0.15 -4.75 -0.15 0.00 -0.34 0.00 0.00 43.02 37.63 2k8m s PHE 73 CO 0.16 -1.82 2.13 0.15 -1.46 0.00 0.00 175.22 174.37 2k8m s LYS 74 N 4.30 1.76 -0.25 10.12 -0.14 -1.26 -2.39 119.74 131.88 2k8m s LYS 74 Ca 0.53 -0.33 -0.12 0.00 -1.36 0.00 0.00 55.97 54.69 2k8m s LYS 74 Cb 0.04 -5.00 0.09 0.00 -1.68 0.00 0.00 37.83 31.27 2k8m s LYS 74 CO 0.06 -4.61 0.59 0.08 -0.76 0.00 0.00 175.35 170.71 2k8m s VAL 75 N 14.19 -0.30 0.50 3.17 1.01 -1.25 -4.86 120.40 132.86 2k8m s VAL 75 Ca 0.80 0.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.59 2k8m s VAL 75 Cb -0.06 -0.87 -0.07 0.00 0.00 0.00 0.00 36.38 35.37 2k8m s VAL 75 CO 0.12 0.02 1.18 -2.65 0.00 0.00 0.00 175.10 173.77 2k8m n PRO 76 N 4.68 1.53 0.29 2.72 -0.02 -1.26 -4.06 135.00 138.90 2k8m n PRO 76 Ca -0.18 0.56 0.19 0.00 -2.02 0.00 0.00 63.50 62.05 2k8m n PRO 76 Cb 0.55 -2.33 0.96 0.00 -0.02 0.00 0.00 33.50 32.66 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 1.45 0.00 0.03 6.00 -0.00 -1.93 0.59 116.97 123.10 2k8m h TYR 77 Ca -0.48 0.00 -0.21 0.00 -0.00 0.00 0.00 58.73 58.03 2k8m h TYR 77 Cb 1.32 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 38.04 2k8m h TYR 77 CO 0.44 0.00 -0.97 0.66 -0.00 0.00 0.00 178.16 178.29 2k8m h SER 78 N 0.00 0.21 0.09 0.10 4.64 -2.00 -3.15 113.55 113.45 2k8m h SER 78 Ca 0.03 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2k8m h SER 78 Cb 0.38 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2k8m h SER 78 CO -0.00 1.06 -0.02 -0.62 -0.87 0.00 0.00 176.83 176.38 2k8m n GLU 79 N -3.56 1.09 -0.32 4.77 1.02 0.18 -3.85 120.64 119.96 2k8m n GLU 79 Ca -0.04 -0.30 0.01 0.00 -0.02 0.00 0.00 57.16 56.82 2k8m n GLU 79 Cb 0.88 -1.49 0.19 0.00 -0.02 0.00 0.00 31.44 30.99 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 0.73 1.00 0.00 -4.62 5.85 -1.46 -1.02 115.31 115.78 2k8m h LEU 80 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2k8m h LEU 80 Cb 0.21 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2k8m h LEU 80 CO 0.00 0.68 0.00 0.61 -0.34 0.00 0.00 178.44 179.39 2k8m n GLY 81 N -1.39 -0.67 1.65 3.75 0.00 -1.25 -2.51 105.19 104.76 2k8m n GLY 81 Ca 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.08 2k8m n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8m n GLY 82 N 0.00 2.28 2.73 -0.02 0.00 -0.41 -4.60 105.19 105.17 2k8m n GLY 82 Ca 0.09 -1.10 -0.17 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.62 -0.03 -0.22 1.61 2.47 -1.05 -5.05 119.74 115.85 2k8m s LYS 83 Ca 0.34 0.27 0.01 0.00 -1.56 0.00 0.00 55.97 55.03 2k8m s LYS 83 Cb 0.37 -0.39 0.05 0.00 -1.46 0.00 0.00 37.83 36.41 2k8m s LYS 83 CO -0.11 -0.24 -0.09 0.99 0.16 0.00 0.00 175.35 176.06 2k8m s THR 84 N 1.57 1.70 0.05 3.43 2.01 -1.26 -2.93 115.64 120.21 2k8m s THR 84 Ca -0.03 -1.18 -0.08 0.00 0.31 0.00 0.00 61.69 60.72 2k8m s THR 84 Cb -0.13 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 2k8m s THR 84 CO -0.03 0.06 0.33 -1.48 -0.69 0.00 0.00 174.62 172.81 2k8m s LEU 85 N 1.35 4.35 0.07 4.42 2.34 -1.25 -4.15 118.68 125.80 2k8m s LEU 85 Ca -0.04 0.65 0.07 0.00 0.06 0.00 0.00 54.13 54.87 2k8m s LEU 85 Cb -0.18 -2.87 -0.03 0.00 -0.56 0.00 0.00 46.19 42.56 2k8m s LEU 85 CO -0.07 0.20 -0.18 0.68 -1.06 0.00 0.00 176.35 175.91 2k8m s VAL 86 N -1.38 1.47 -0.29 1.48 -7.23 -0.27 -2.75 120.40 111.43 2k8m s VAL 86 Ca 0.31 -1.29 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 2k8m s VAL 86 Cb -0.13 -1.33 0.07 0.00 0.56 0.00 0.00 36.38 35.55 2k8m s VAL 86 CO 0.18 0.01 -0.04 -0.32 -0.31 0.00 0.00 175.10 174.61 2k8m s MET 87 N -1.50 2.07 -0.20 4.82 1.75 0.16 -0.85 119.30 125.56 2k8m s MET 87 Ca 0.04 -1.49 -0.09 0.00 -1.25 0.00 0.00 55.69 52.90 2k8m s MET 87 Cb -0.09 -3.04 -0.05 0.00 2.84 0.00 0.00 34.83 34.49 2k8m s MET 87 CO 0.03 -0.69 0.11 0.00 -0.65 0.00 0.00 175.02 173.82 2k8m s ALA 88 N 1.08 3.63 -0.33 4.11 0.00 -0.42 -2.35 121.76 127.47 2k8m s ALA 88 Ca -0.03 -0.70 -0.20 0.00 0.00 0.00 0.00 51.96 51.03 2k8m s ALA 88 Cb -0.20 -2.11 -0.00 0.00 0.00 0.00 0.00 23.12 20.80 2k8m s ALA 88 CO -0.05 0.16 0.63 0.54 0.00 0.00 0.00 175.76 177.03 2k8m s VAL 89 N 0.37 4.92 -0.13 0.00 0.11 -0.87 -0.17 120.40 124.63 2k8m s VAL 89 Ca 0.07 0.71 -0.07 0.00 -2.93 0.00 0.00 61.98 59.75 2k8m s VAL 89 Cb -0.11 -4.03 -0.04 0.00 -1.53 0.00 0.00 36.38 30.67 2k8m s VAL 89 CO -0.01 -0.22 0.14 -0.47 -3.33 0.00 0.00 175.10 171.20 2k8m s TYR 90 N 2.64 3.58 0.49 1.54 5.04 0.11 -3.44 117.35 127.31 2k8m s TYR 90 Ca 0.24 0.51 -0.02 0.00 -2.44 0.00 0.00 57.07 55.36 2k8m s TYR 90 Cb -0.15 -1.96 -0.00 0.00 0.35 0.00 0.00 41.96 40.20 2k8m s TYR 90 CO 0.13 0.69 0.74 0.34 -1.34 0.00 0.00 175.55 176.12 2k8m s ASP 91 N -0.90 5.82 -0.33 4.32 2.15 -1.07 0.33 116.67 126.98 2k8m s ASP 91 Ca 0.14 0.47 0.17 0.00 0.43 0.00 0.00 52.55 53.77 2k8m s ASP 91 Cb -0.12 -1.67 0.45 0.00 -0.30 0.00 0.00 42.92 41.28 2k8m s ASP 91 CO 0.03 -0.78 0.93 0.33 -0.17 0.00 0.00 175.17 175.51 2k8m n PHE 92 N -2.23 1.08 -0.19 -5.34 7.35 0.72 -4.61 117.46 114.24 2k8m n PHE 92 Ca 0.02 -2.93 0.23 0.00 -0.76 0.00 0.00 57.45 54.01 2k8m n PHE 92 Cb 0.57 -0.38 0.61 0.00 0.35 0.00 0.00 39.48 40.63 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 2.99 0.21 0.00 -2.13 2.03 -1.88 -3.44 116.42 114.21 2k8m h ASP 93 Ca -0.07 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 2k8m h ASP 93 Cb 1.15 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.63 2k8m h ASP 93 CO 0.51 0.08 0.00 0.54 -1.03 0.00 0.00 179.24 179.34 2k8m n ARG 94 N -4.41 0.00 -0.09 4.15 1.74 -1.26 -4.79 116.66 112.01 2k8m n ARG 94 Ca 0.18 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.11 2k8m n ARG 94 Cb 0.79 -1.46 -0.07 0.00 -1.02 0.00 0.00 32.46 30.70 2k8m n ARG 94 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2k8m h PHE 95 N 0.00 0.00 -4.21 -1.55 3.57 -2.03 -3.49 116.94 109.23 2k8m h PHE 95 Ca 0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2k8m h PHE 95 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2k8m h PHE 95 CO 0.00 0.88 -0.04 -1.13 -2.23 0.00 0.00 178.31 175.79 2k8m n SER 96 N -4.52 1.40 -4.70 0.41 3.41 -1.26 -5.07 113.62 103.30 2k8m n SER 96 Ca -0.21 -1.24 -0.42 0.00 -0.26 0.00 0.00 58.87 56.73 2k8m n SER 96 Cb 0.50 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 2k8m n SER 96 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2k8m s LYS 97 N -2.27 4.28 0.26 4.33 -0.14 -1.26 -4.84 119.74 120.10 2k8m s LYS 97 Ca 0.03 2.08 -0.30 0.00 -1.36 0.00 0.00 55.97 56.42 2k8m s LYS 97 Cb -0.00 -3.44 -0.10 0.00 -1.68 0.00 0.00 37.83 32.61 2k8m s LYS 97 CO 0.02 -0.55 1.37 -1.01 -0.76 0.00 0.00 175.35 174.42 2k8m s HIS 98 N 1.91 3.09 0.42 3.18 3.76 -1.26 -5.02 115.29 121.37 2k8m s HIS 98 Ca 0.66 1.20 0.07 0.00 -0.15 0.00 0.00 55.06 56.83 2k8m s HIS 98 Cb -0.35 -3.72 -0.05 0.00 1.11 0.00 0.00 32.58 29.56 2k8m s HIS 98 CO 0.29 -2.22 0.13 0.34 -0.85 0.00 0.00 174.74 172.43 2k8m s ASP 99 N 0.09 4.25 -0.44 1.40 -1.08 -1.26 -4.91 116.67 114.71 2k8m s ASP 99 Ca 0.55 -1.21 -0.12 0.00 -0.52 0.00 0.00 52.55 51.25 2k8m s ASP 99 Cb -0.40 -0.35 0.08 0.00 -1.46 0.00 0.00 42.92 40.79 2k8m s ASP 99 CO 0.45 -0.56 0.32 -0.63 0.52 0.00 0.00 175.17 175.27 2k8m s ILE 100 N -2.66 4.67 -0.11 4.11 1.01 -1.26 -2.61 121.20 124.35 2k8m s ILE 100 Ca 0.36 -1.25 0.30 0.00 0.00 0.00 0.00 60.65 60.06 2k8m s ILE 100 Cb 0.05 -3.82 0.34 0.00 0.01 0.00 0.00 42.46 39.04 2k8m s ILE 100 CO 0.20 -0.54 1.89 0.16 0.00 0.00 0.00 174.94 176.65 2k8m h ILE 101 N 5.94 0.00 0.00 2.92 -2.65 -1.90 -3.43 117.51 118.39 2k8m h ILE 101 Ca -0.25 -0.38 0.00 0.00 1.03 0.00 0.00 64.86 65.25 2k8m h ILE 101 Cb 1.09 1.28 0.00 0.00 -2.05 0.00 0.00 36.82 37.14 2k8m h ILE 101 CO 0.81 0.00 0.00 0.61 0.03 0.00 0.00 178.15 179.60 2k8m n GLY 102 N -0.03 -2.31 3.52 0.16 0.00 -1.26 -4.37 105.19 100.90 2k8m n GLY 102 Ca 0.01 -1.22 -0.02 0.00 0.00 0.00 0.00 46.02 44.78 2k8m n GLY 102 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k8m n GLU 103 N -0.64 0.57 -3.67 1.61 0.28 0.46 -2.06 120.64 117.19 2k8m n GLU 103 Ca 0.00 -1.32 -0.15 0.00 -0.16 0.00 0.00 57.16 55.53 2k8m n GLU 103 Cb 0.00 1.80 -0.08 0.00 1.43 0.00 0.00 31.44 34.59 2k8m n GLU 103 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 2k8m s PHE 104 N -2.43 -0.41 0.04 -1.84 -0.71 -0.99 -2.60 117.98 109.03 2k8m s PHE 104 Ca 0.21 0.76 0.02 0.00 -1.04 0.00 0.00 56.93 56.88 2k8m s PHE 104 Cb -0.02 0.22 -0.02 0.00 -1.21 0.00 0.00 43.02 41.98 2k8m s PHE 104 CO 0.05 -0.43 -0.06 -1.59 -1.34 0.00 0.00 175.22 171.84 2k8m s LYS 105 N -0.95 0.48 -0.04 1.99 0.00 -1.26 -0.67 119.74 119.28 2k8m s LYS 105 Ca -0.10 -0.74 -0.02 0.00 0.00 0.00 0.00 55.97 55.11 2k8m s LYS 105 Cb -0.03 -0.17 0.03 0.00 0.00 0.00 0.00 37.83 37.66 2k8m s LYS 105 CO 0.05 0.02 0.07 0.54 0.00 0.00 0.00 175.35 176.03 2k8m s VAL 106 N -1.51 -0.12 -0.32 1.79 0.11 -1.11 -5.03 120.40 114.22 2k8m s VAL 106 Ca -0.11 0.39 -0.29 0.00 -2.93 0.00 0.00 61.98 59.04 2k8m s VAL 106 Cb -0.09 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 2k8m s VAL 106 CO -0.00 0.16 1.65 -2.16 -3.33 0.00 0.00 175.10 171.42 2k8m s PRO 107 N 2.01 3.53 0.51 1.54 0.04 -1.26 -3.83 135.00 137.54 2k8m s PRO 107 Ca 0.03 1.37 0.34 0.00 0.04 0.00 0.00 61.00 62.78 2k8m s PRO 107 Cb -0.12 -4.10 1.60 0.00 0.04 0.00 0.00 34.50 31.91 2k8m s PRO 107 CO -0.03 -1.61 2.02 0.52 0.04 0.00 0.00 177.00 177.93 2k8m h MET 108 N 11.69 0.00 0.00 4.56 2.86 -1.75 -0.76 114.93 131.52 2k8m h MET 108 Ca -0.32 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.28 2k8m h MET 108 Cb 1.15 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 2k8m h MET 108 CO 1.04 0.00 -0.20 -0.97 1.06 0.00 0.00 176.91 177.84 2k8m h ASN 109 N 0.00 0.00 0.00 1.22 -1.24 -1.75 -3.23 115.58 110.58 2k8m h ASN 109 Ca 0.00 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.83 2k8m h ASN 109 Cb 0.27 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.30 2k8m h ASN 109 CO 0.00 0.20 -1.07 0.74 -1.29 0.00 0.00 177.43 176.01 2k8m h THR 110 N 0.00 0.72 -2.29 -3.57 2.02 -1.50 -3.43 112.91 104.86 2k8m h THR 110 Ca -0.00 -1.91 -0.68 0.00 0.77 0.00 0.00 66.41 64.59 2k8m h THR 110 Cb 0.63 1.73 -0.17 0.00 -1.74 0.00 0.00 68.15 68.60 2k8m h THR 110 CO 0.03 0.24 0.89 -0.69 0.37 0.00 0.00 175.52 176.35 2k8m s VAL 111 N -2.33 4.62 0.61 3.16 1.01 -0.96 -5.01 120.40 121.51 2k8m s VAL 111 Ca -0.25 -1.43 -0.16 0.00 0.00 0.00 0.00 61.98 60.14 2k8m s VAL 111 Cb 0.05 -4.80 -0.03 0.00 0.00 0.00 0.00 36.38 31.60 2k8m s VAL 111 CO 0.51 -1.55 1.10 1.51 0.00 0.00 0.00 175.10 176.66 2k8m s ASP 112 N 3.78 5.48 -1.44 3.32 -4.77 -1.26 -4.73 116.67 117.04 2k8m s ASP 112 Ca 0.33 1.98 -0.14 0.00 -3.30 0.00 0.00 52.55 51.42 2k8m s ASP 112 Cb -0.05 -2.55 0.03 0.00 -1.09 0.00 0.00 42.92 39.25 2k8m s ASP 112 CO -0.08 -1.38 2.25 2.22 0.70 0.00 0.00 175.17 178.88 2k8m n PHE 113 N -2.03 3.42 0.09 2.11 1.16 -1.26 -4.70 117.46 116.26 2k8m n PHE 113 Ca 0.10 -2.94 -0.13 0.00 -1.87 0.00 0.00 57.45 52.61 2k8m n PHE 113 Cb 0.52 -2.52 -0.08 0.00 -1.61 0.00 0.00 39.48 35.79 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 10.01 -0.18 0.00 4.97 0.00 -2.00 -3.47 103.07 112.40 2k8m h GLY 114 Ca 0.58 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.98 2k8m h GLY 114 CO 1.89 -0.07 0.00 1.42 0.00 0.00 0.00 176.54 179.78 2k8m n HIS 115 N -5.10 0.00 -3.74 5.60 8.25 -1.26 -5.13 115.22 113.84 2k8m n HIS 115 Ca -0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.22 2k8m n HIS 115 Cb 0.15 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.10 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 0.00 -0.09 -0.93 1.59 -7.23 -1.26 -4.39 120.40 108.10 2k8m s VAL 116 Ca 0.00 0.25 -0.19 0.00 -1.81 0.00 0.00 61.98 60.23 2k8m s VAL 116 Cb 0.00 -0.16 0.12 0.00 0.56 0.00 0.00 36.38 36.90 2k8m s VAL 116 CO 0.00 0.10 1.15 -0.89 -0.31 0.00 0.00 175.10 175.16 2k8m s THR 117 N 1.40 4.63 -0.28 5.32 2.01 0.82 -4.91 115.64 124.62 2k8m s THR 117 Ca -0.06 -1.44 0.01 0.00 0.31 0.00 0.00 61.69 60.51 2k8m s THR 117 Cb -0.12 -4.80 0.06 0.00 0.01 0.00 0.00 72.50 67.64 2k8m s THR 117 CO -0.04 -1.55 -0.05 -1.61 -0.69 0.00 0.00 174.62 170.68 2k8m s GLU 118 N 2.98 2.31 0.37 4.92 2.02 -1.26 -0.44 118.70 129.60 2k8m s GLU 118 Ca 0.33 -1.32 -0.10 0.00 0.02 0.00 0.00 54.97 53.90 2k8m s GLU 118 Cb -0.05 -3.04 0.03 0.00 0.10 0.00 0.00 34.13 31.17 2k8m s GLU 118 CO -0.09 -0.61 0.66 -1.83 0.02 0.00 0.00 175.26 173.42 2k8m s GLU 119 N 1.17 2.11 -0.45 1.61 -1.05 -1.08 -5.03 118.70 115.98 2k8m s GLU 119 Ca -0.07 -1.59 -0.10 0.00 -0.15 0.00 0.00 54.97 53.07 2k8m s GLU 119 Cb -0.20 0.55 0.10 0.00 -0.44 0.00 0.00 34.13 34.14 2k8m s GLU 119 CO -0.03 -0.95 0.31 -1.58 0.95 0.00 0.00 175.26 173.96 2k8m s TRP 120 N -2.59 3.37 0.04 4.83 0.52 -1.26 -2.95 118.94 120.90 2k8m s TRP 120 Ca 0.22 -1.66 -0.23 0.00 0.02 0.00 0.00 56.10 54.45 2k8m s TRP 120 Cb -0.03 -3.23 -0.06 0.00 -1.15 0.00 0.00 33.47 29.00 2k8m s TRP 120 CO 0.15 -0.92 0.70 0.50 0.02 0.00 0.00 176.95 177.40 2k8m s ARG 121 N 1.41 4.42 0.25 4.98 6.06 -0.16 -4.90 118.95 131.00 2k8m s ARG 121 Ca 0.04 0.94 -0.29 0.00 -2.50 0.00 0.00 55.73 53.92 2k8m s ARG 121 Cb -0.25 -3.34 -0.09 0.00 0.06 0.00 0.00 34.95 31.34 2k8m s ARG 121 CO 0.01 0.37 0.94 0.16 -2.50 0.00 0.00 175.30 174.28 2k8m s ASP 122 N -0.30 7.61 -0.22 -2.12 -4.77 -1.26 -0.10 116.67 115.51 2k8m s ASP 122 Ca 0.35 1.93 -0.12 0.00 -3.30 0.00 0.00 52.55 51.41 2k8m s ASP 122 Cb -0.20 -2.60 -0.05 0.00 -1.09 0.00 0.00 42.92 38.98 2k8m s ASP 122 CO 0.21 0.14 0.23 -0.76 0.70 0.00 0.00 175.17 175.69 2k8m s LEU 123 N -1.27 4.14 -0.02 2.11 1.43 0.56 -4.85 118.68 120.79 2k8m s LEU 123 Ca 0.42 0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.81 2k8m s LEU 123 Cb -0.25 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 2k8m s LEU 123 CO 0.31 0.04 -0.07 -1.10 0.23 0.00 0.00 176.35 175.75 2k8m s GLN 124 N 1.02 2.61 -0.93 1.70 -0.21 -1.07 -1.47 119.66 121.31 2k8m s GLN 124 Ca 0.11 -0.66 -0.22 0.00 0.02 0.00 0.00 55.36 54.61 2k8m s GLN 124 Cb -0.14 -2.52 0.08 0.00 1.00 0.00 0.00 33.01 31.43 2k8m s GLN 124 CO 0.05 0.62 1.28 -1.12 -2.12 0.00 0.00 175.29 174.00 2k8m s SER 125 N -1.17 6.48 -0.72 5.90 0.01 -1.26 -0.40 113.70 122.55 2k8m s SER 125 Ca 0.15 -1.52 -0.20 0.00 1.31 0.00 0.00 55.95 55.69 2k8m s SER 125 Cb -0.11 -2.50 0.11 0.00 0.21 0.00 0.00 66.02 63.73 2k8m s SER 125 CO 0.05 -1.38 0.91 0.00 0.41 0.00 0.00 173.24 173.22 2k8m s ALA 126 N 4.18 3.34 0.03 1.44 0.00 -1.26 -4.83 121.76 124.66 2k8m s ALA 126 Ca 0.38 -2.31 -0.30 0.00 0.00 0.00 0.00 51.96 49.73 2k8m s ALA 126 Cb -0.04 -3.77 -0.07 0.00 0.00 0.00 0.00 23.12 19.24 2k8m s ALA 126 CO -0.06 -2.65 1.57 -1.21 0.00 0.00 0.00 175.76 173.40 2k8m s GLU 127 N 2.99 4.22 0.00 0.00 2.02 -1.26 -4.60 118.70 122.08 2k8m s GLU 127 Ca 0.21 2.18 0.11 0.00 0.02 0.00 0.00 54.97 57.49 2k8m s GLU 127 Cb -0.16 -3.65 0.09 0.00 0.10 0.00 0.00 34.13 30.51 2k8m s GLU 127 CO 0.02 -0.70 0.84 1.63 0.02 0.00 0.00 175.26 177.08