#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 0.73 0.00 3.49 -2.85 -1.26 -4.43 119.74 115.42 2k8m s LYS 2 Ca 0.00 -0.97 0.00 0.00 -1.00 0.00 0.00 55.97 54.00 2k8m s LYS 2 Cb 0.00 -0.54 0.00 0.00 -2.06 0.00 0.00 37.83 35.23 2k8m s LYS 2 CO 0.00 0.10 0.04 -0.11 0.10 0.00 0.00 175.35 175.49 2k8m n LEU 3 N 1.07 0.00 0.00 2.77 7.94 -1.05 -3.47 117.00 124.26 2k8m n LEU 3 Ca -0.20 -0.43 0.00 0.00 -1.11 0.00 0.00 56.01 54.27 2k8m n LEU 3 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 2k8m n LEU 3 CO 0.23 0.44 0.00 0.61 -1.11 0.00 0.00 177.39 177.56 2k8m n GLY 4 N 0.00 -0.40 3.01 -3.96 0.00 -1.25 -4.32 105.19 98.28 2k8m n GLY 4 Ca 0.00 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 0.39 -0.12 1.61 1.02 -0.94 -0.84 119.74 120.86 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 37.25 2k8m s LYS 5 CO 0.00 0.00 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.12 2k8m s LEU 6 N -1.40 1.64 -0.04 3.17 0.20 0.86 -0.76 118.68 122.35 2k8m s LEU 6 Ca -0.12 -0.43 -0.23 0.00 0.69 0.00 0.00 54.13 54.04 2k8m s LEU 6 Cb -0.09 -1.09 -0.04 0.00 -0.43 0.00 0.00 46.19 44.54 2k8m s LEU 6 CO -0.00 -0.03 0.68 -1.10 -0.29 0.00 0.00 176.35 175.61 2k8m s GLN 7 N 1.24 4.42 0.03 1.98 -1.52 -0.31 -0.67 119.66 124.83 2k8m s GLN 7 Ca -0.01 0.86 -0.12 0.00 -1.95 0.00 0.00 55.36 54.13 2k8m s GLN 7 Cb -0.14 -3.41 0.01 0.00 -0.22 0.00 0.00 33.01 29.25 2k8m s GLN 7 CO -0.06 0.17 0.26 1.52 -0.25 0.00 0.00 175.29 176.93 2k8m s TYR 8 N 0.45 -0.05 -0.14 0.91 1.13 -0.96 -0.19 117.35 118.51 2k8m s TYR 8 Ca 0.36 -0.09 -0.02 0.00 -1.41 0.00 0.00 57.07 55.90 2k8m s TYR 8 Cb -0.18 0.04 0.04 0.00 -1.10 0.00 0.00 41.96 40.77 2k8m s TYR 8 CO 0.18 -0.45 0.00 -1.54 -2.51 0.00 0.00 175.55 171.23 2k8m s SER 9 N -1.96 2.38 -0.11 -0.18 1.04 -0.21 -2.13 113.70 112.53 2k8m s SER 9 Ca -0.06 -0.51 0.01 0.00 0.48 0.00 0.00 55.95 55.87 2k8m s SER 9 Cb -0.02 -0.60 -0.02 0.00 0.10 0.00 0.00 66.02 65.48 2k8m s SER 9 CO -0.02 -0.24 -0.13 -0.76 0.98 0.00 0.00 173.24 173.07 2k8m s LEU 10 N 1.86 2.76 0.37 2.42 1.43 -0.09 -2.48 118.68 124.95 2k8m s LEU 10 Ca 0.02 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 2k8m s LEU 10 Cb -0.15 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 2k8m s LEU 10 CO -0.07 0.22 0.09 1.51 0.23 0.00 0.00 176.35 178.34 2k8m s ASP 11 N 0.02 2.60 0.15 2.29 -4.77 -0.90 -0.22 116.67 115.84 2k8m s ASP 11 Ca -0.04 -1.54 0.06 0.00 -3.30 0.00 0.00 52.55 47.73 2k8m s ASP 11 Cb -0.14 0.26 -0.04 0.00 -1.09 0.00 0.00 42.92 41.91 2k8m s ASP 11 CO 0.04 -0.79 -0.13 -0.72 0.70 0.00 0.00 175.17 174.27 2k8m s TYR 12 N -3.26 1.41 0.17 2.11 1.13 -1.26 -0.50 117.35 117.15 2k8m s TYR 12 Ca 0.29 -0.63 0.04 0.00 -1.41 0.00 0.00 57.07 55.36 2k8m s TYR 12 Cb 0.05 -0.71 -0.05 0.00 -1.10 0.00 0.00 41.96 40.16 2k8m s TYR 12 CO 0.14 0.16 -0.07 0.34 -2.51 0.00 0.00 175.55 173.62 2k8m s ASP 13 N -2.87 1.80 -0.03 -0.18 2.15 -1.13 -4.93 116.67 111.49 2k8m s ASP 13 Ca 0.14 -1.08 0.04 0.00 0.43 0.00 0.00 52.55 52.08 2k8m s ASP 13 Cb -0.01 -0.00 0.06 0.00 -0.30 0.00 0.00 42.92 42.66 2k8m s ASP 13 CO 0.03 -0.39 0.92 2.22 -0.17 0.00 0.00 175.17 177.78 2k8m n PHE 14 N -0.27 0.00 -0.06 -5.34 1.16 -1.26 -4.15 117.46 107.55 2k8m n PHE 14 Ca -0.08 -0.45 -0.07 0.00 -1.87 0.00 0.00 57.45 54.98 2k8m n PHE 14 Cb 0.62 -0.06 -0.07 0.00 -1.61 0.00 0.00 39.48 38.36 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 -0.53 1.28 0.00 3.97 10.64 -1.26 -4.57 117.38 126.91 2k8m n GLN 15 Ca 0.03 0.04 0.10 0.00 -1.83 0.00 0.00 57.00 55.34 2k8m n GLN 15 Cb 0.42 -1.25 -0.06 0.00 -0.86 0.00 0.00 30.24 28.48 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 -2.64 1.32 -3.41 2.61 0.23 -1.26 -5.01 115.26 107.11 2k8m n ASN 16 Ca -0.19 -1.14 -0.20 0.00 -0.53 0.00 0.00 54.58 52.51 2k8m n ASN 16 Cb 0.78 0.80 0.05 0.00 -2.08 0.00 0.00 39.78 39.33 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 -1.01 -6.22 -3.77 0.53 5.15 -1.26 -4.96 115.26 103.72 2k8m n ASN 17 Ca 0.06 -0.78 -0.05 0.00 -0.60 0.00 0.00 54.58 53.20 2k8m n ASN 17 Cb 0.38 -4.46 -0.02 0.00 -0.53 0.00 0.00 39.78 35.15 2k8m n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k8m s GLN 18 N -4.89 1.41 -0.01 1.20 1.03 -1.26 -3.83 119.66 113.31 2k8m s GLN 18 Ca 0.42 -0.76 -0.01 0.00 0.04 0.00 0.00 55.36 55.04 2k8m s GLN 18 Cb -0.10 0.49 -0.04 0.00 0.03 0.00 0.00 33.01 33.40 2k8m s GLN 18 CO 0.79 -0.64 0.11 -0.51 -2.54 0.00 0.00 175.29 172.50 2k8m s LEU 19 N -2.91 4.05 -0.45 2.60 1.43 -0.53 -2.82 118.68 120.05 2k8m s LEU 19 Ca 0.11 0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 53.27 2k8m s LEU 19 Cb -0.03 -2.36 0.05 0.00 0.03 0.00 0.00 46.19 43.88 2k8m s LEU 19 CO 0.03 0.28 0.41 -0.22 0.23 0.00 0.00 176.35 177.07 2k8m s LEU 20 N -1.76 5.29 -0.54 1.79 1.98 0.34 -1.27 118.68 124.51 2k8m s LEU 20 Ca 0.24 -1.06 -0.19 0.00 -2.89 0.00 0.00 54.13 50.22 2k8m s LEU 20 Cb -0.12 -2.24 0.07 0.00 0.66 0.00 0.00 46.19 44.56 2k8m s LEU 20 CO 0.15 -0.62 0.68 -0.69 -1.89 0.00 0.00 176.35 173.98 2k8m s VAL 21 N 1.85 4.81 -0.42 1.68 1.01 -0.68 -2.11 120.40 126.55 2k8m s VAL 21 Ca 0.07 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2k8m s VAL 21 Cb -0.21 -4.38 0.11 0.00 0.00 0.00 0.00 36.38 31.91 2k8m s VAL 21 CO 0.09 -0.93 0.16 -0.83 0.00 0.00 0.00 175.10 173.59 2k8m s GLY 22 N 2.98 2.12 0.24 4.51 0.00 -1.03 -0.79 107.32 115.34 2k8m s GLY 22 Ca 0.15 -2.77 -0.25 0.00 0.00 0.00 0.00 44.72 41.85 2k8m s GLY 22 CO 0.11 0.99 0.84 -0.26 0.00 0.00 0.00 173.10 174.77 2k8m s ILE 23 N 0.58 4.32 -0.03 0.90 -0.00 -1.21 -1.04 121.20 124.72 2k8m s ILE 23 Ca 0.12 1.70 -0.02 0.00 -0.00 0.00 0.00 60.65 62.45 2k8m s ILE 23 Cb -0.21 -4.06 -0.01 0.00 -0.00 0.00 0.00 42.46 38.18 2k8m s ILE 23 CO -0.05 0.33 -0.04 0.40 -0.00 0.00 0.00 174.94 175.59 2k8m h ILE 24 N 2.95 0.00 -2.61 8.37 2.04 -0.92 -3.27 117.51 124.07 2k8m h ILE 24 Ca -0.47 -0.26 0.09 0.00 1.00 0.00 0.00 64.86 65.22 2k8m h ILE 24 Cb 1.20 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.17 2k8m h ILE 24 CO 0.66 0.00 0.37 0.00 0.00 0.00 0.00 178.15 179.18 2k8m s GLN 25 N -1.29 1.23 -0.03 2.37 1.03 -1.17 -2.56 119.66 119.24 2k8m s GLN 25 Ca -0.03 -0.58 0.07 0.00 0.04 0.00 0.00 55.36 54.86 2k8m s GLN 25 Cb 0.00 0.48 -0.02 0.00 0.03 0.00 0.00 33.01 33.51 2k8m s GLN 25 CO 0.04 -0.55 -0.25 0.00 -2.54 0.00 0.00 175.29 172.00 2k8m s ALA 26 N -3.47 2.21 0.11 2.60 0.00 -1.21 -1.17 121.76 120.82 2k8m s ALA 26 Ca 0.07 -1.09 0.09 0.00 0.00 0.00 0.00 51.96 51.04 2k8m s ALA 26 Cb -0.02 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 2k8m s ALA 26 CO -0.04 0.50 -0.23 0.00 0.00 0.00 0.00 175.76 176.00 2k8m s ALA 27 N -0.50 1.97 -0.95 0.00 0.00 0.06 -3.70 121.76 118.65 2k8m s ALA 27 Ca 0.07 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 2k8m s ALA 27 Cb -0.11 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.72 2k8m s ALA 27 CO 0.00 0.42 0.80 0.39 0.00 0.00 0.00 175.76 177.37 2k8m n GLU 28 N 1.07 -5.35 -2.62 0.00 1.02 -1.21 -2.22 120.64 111.33 2k8m n GLU 28 Ca -0.19 0.65 -0.33 0.00 -0.02 0.00 0.00 57.16 57.27 2k8m n GLU 28 Cb 0.53 -5.09 -0.05 0.00 -0.02 0.00 0.00 31.44 26.81 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 -5.47 3.83 0.73 -4.62 1.43 -1.05 -3.75 118.68 109.79 2k8m s LEU 29 Ca 0.11 1.75 -0.11 0.00 -1.03 0.00 0.00 54.13 54.85 2k8m s LEU 29 Cb -0.05 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.66 2k8m s LEU 29 CO 0.56 -0.57 1.07 -2.84 0.23 0.00 0.00 176.35 174.80 2k8m s PRO 30 N -3.39 2.67 0.14 1.29 0.02 -1.26 -4.89 135.00 129.59 2k8m s PRO 30 Ca 0.63 0.84 -0.09 0.00 0.02 0.00 0.00 61.00 62.40 2k8m s PRO 30 Cb -0.12 -1.97 -0.06 0.00 0.02 0.00 0.00 34.50 32.37 2k8m s PRO 30 CO 0.19 -1.26 0.46 0.00 -0.33 0.00 0.00 177.00 176.07 2k8m s ALA 31 N -3.09 3.67 0.07 -1.55 0.00 -1.26 -4.64 121.76 114.96 2k8m s ALA 31 Ca 0.59 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.20 2k8m s ALA 31 Cb -0.14 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2k8m s ALA 31 CO 0.55 0.55 0.00 -0.11 0.00 0.00 0.00 175.76 176.75 2k8m n LEU 32 N 0.44 -0.03 -4.73 0.00 -0.00 -0.86 -4.96 117.00 106.86 2k8m n LEU 32 Ca -0.04 0.12 -0.42 0.00 -0.00 0.00 0.00 56.01 55.68 2k8m n LEU 32 Cb 0.52 0.10 -0.03 0.00 -0.00 0.00 0.00 43.42 44.01 2k8m n LEU 32 CO 0.44 -0.55 0.95 -0.62 -0.00 0.00 0.00 177.39 177.62 2k8m s ASP 33 N -5.02 6.97 -0.24 1.96 2.15 0.13 -4.91 116.67 117.71 2k8m s ASP 33 Ca 0.00 2.26 -0.38 0.00 0.43 0.00 0.00 52.55 54.86 2k8m s ASP 33 Cb 0.00 -2.60 -0.14 0.00 -0.30 0.00 0.00 42.92 39.88 2k8m s ASP 33 CO 0.00 -0.50 1.85 0.80 -0.17 0.00 0.00 175.17 177.14 2k8m n MET 34 N 3.13 1.41 0.00 4.34 0.00 -1.26 -2.68 117.12 122.07 2k8m n MET 34 Ca 0.07 0.51 0.00 0.00 -0.00 0.00 0.00 57.70 58.28 2k8m n MET 34 Cb 0.44 -2.29 0.00 0.00 0.00 0.00 0.00 33.22 31.37 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 4.59 0.24 1.51 -5.12 0.00 -1.26 -4.77 105.19 100.39 2k8m n GLY 35 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 0.72 3.27 -0.02 0.00 -1.09 -5.06 105.19 103.01 2k8m n GLY 36 Ca 0.00 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.00 0.16 0.23 2.61 -4.23 -1.13 -4.85 115.64 106.42 2k8m s THR 37 Ca 0.00 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.39 2k8m s THR 37 Cb 0.00 -2.52 -0.00 0.00 1.34 0.00 0.00 72.50 71.32 2k8m s THR 37 CO 0.00 0.00 0.44 -0.44 -0.54 0.00 0.00 174.62 174.08 2k8m s SER 38 N -3.28 -0.08 -0.70 3.99 0.01 -1.25 0.21 113.70 112.60 2k8m s SER 38 Ca 0.38 -0.89 0.05 0.00 1.31 0.00 0.00 55.95 56.80 2k8m s SER 38 Cb 0.06 0.56 0.24 0.00 0.21 0.00 0.00 66.02 67.08 2k8m s SER 38 CO 0.17 -1.08 0.76 0.47 0.41 0.00 0.00 173.24 173.97 2k8m n ASP 39 N -0.35 3.87 -4.66 2.44 9.92 -1.26 -0.37 116.55 126.14 2k8m n ASP 39 Ca -0.03 -3.39 -0.41 0.00 -0.53 0.00 0.00 54.79 50.43 2k8m n ASP 39 Cb 0.62 -0.76 -0.05 0.00 -0.64 0.00 0.00 41.12 40.30 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 -2.26 4.23 -0.05 -0.24 0.04 -1.19 -0.73 135.00 134.79 2k8m s PRO 40 Ca 0.36 0.78 0.02 0.00 0.04 0.00 0.00 61.00 62.20 2k8m s PRO 40 Cb 0.09 -3.59 0.01 0.00 0.04 0.00 0.00 34.50 31.05 2k8m s PRO 40 CO -0.04 -0.32 -0.11 1.52 0.04 0.00 0.00 177.00 178.09 2k8m s TYR 41 N 2.16 1.27 0.08 0.56 1.13 0.13 -4.15 117.35 118.53 2k8m s TYR 41 Ca 0.32 -0.42 -0.26 0.00 -1.41 0.00 0.00 57.07 55.31 2k8m s TYR 41 Cb -0.16 -0.93 -0.06 0.00 -1.10 0.00 0.00 41.96 39.71 2k8m s TYR 41 CO 0.10 -0.21 0.81 0.14 -2.51 0.00 0.00 175.55 173.89 2k8m s VAL 42 N 0.52 4.63 -0.02 -3.49 -7.23 -1.26 -0.51 120.40 113.03 2k8m s VAL 42 Ca -0.10 1.75 0.02 0.00 -1.81 0.00 0.00 61.98 61.84 2k8m s VAL 42 Cb -0.14 -4.17 0.00 0.00 0.56 0.00 0.00 36.38 32.64 2k8m s VAL 42 CO 0.02 0.37 -0.09 -1.59 -0.31 0.00 0.00 175.10 173.51 2k8m s LYS 43 N -0.18 0.93 -0.01 4.82 -2.85 0.53 -3.02 119.74 119.97 2k8m s LYS 43 Ca 0.40 -0.31 -0.30 0.00 -1.00 0.00 0.00 55.97 54.77 2k8m s LYS 43 Cb -0.22 -0.87 -0.03 0.00 -2.06 0.00 0.00 37.83 34.65 2k8m s LYS 43 CO 0.25 0.12 1.05 0.14 0.10 0.00 0.00 175.35 177.01 2k8m s VAL 44 N 0.15 4.64 -0.46 1.79 -7.23 -1.17 -1.45 120.40 116.67 2k8m s VAL 44 Ca -0.02 1.90 0.04 0.00 -1.81 0.00 0.00 61.98 62.09 2k8m s VAL 44 Cb -0.08 -4.22 0.12 0.00 0.56 0.00 0.00 36.38 32.76 2k8m s VAL 44 CO 0.00 0.11 0.19 -0.36 -0.31 0.00 0.00 175.10 174.74 2k8m s PHE 45 N 1.29 3.28 0.96 2.82 0.08 -0.39 -4.49 117.98 121.53 2k8m s PHE 45 Ca 0.53 -3.07 -0.12 0.00 0.12 0.00 0.00 56.93 54.39 2k8m s PHE 45 Cb -0.22 -2.79 0.17 0.00 -0.57 0.00 0.00 43.02 39.60 2k8m s PHE 45 CO 0.26 -0.81 1.11 -0.51 -0.10 0.00 0.00 175.22 175.17 2k8m s LEU 46 N 0.14 1.77 0.00 -0.37 2.01 -1.26 -3.59 118.68 117.37 2k8m s LEU 46 Ca 0.15 1.13 -0.02 0.00 0.01 0.00 0.00 54.13 55.40 2k8m s LEU 46 Cb -0.24 -3.37 0.02 0.00 0.01 0.00 0.00 46.19 42.61 2k8m s LEU 46 CO -0.03 -2.91 0.09 0.00 1.01 0.00 0.00 176.35 174.51 2k8m n LEU 47 N -4.02 0.00 0.00 1.79 -0.00 -1.26 -4.68 117.00 108.83 2k8m n LEU 47 Ca 0.06 -0.10 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 2k8m n LEU 47 Cb 0.58 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 2k8m n LEU 47 CO 0.57 -0.98 0.48 -2.65 -0.00 0.00 0.00 177.39 174.81 2k8m n PRO 48 N -1.65 0.00 0.25 1.47 -0.02 -1.26 -1.57 135.00 132.22 2k8m n PRO 48 Ca 0.01 0.19 -0.16 0.00 -2.02 0.00 0.00 63.50 61.53 2k8m n PRO 48 Cb 0.05 -1.78 -0.08 0.00 -0.02 0.00 0.00 33.50 31.67 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 -0.64 -4.83 2.55 3.58 -1.98 -3.46 116.42 111.64 2k8m h ASP 49 Ca 0.00 0.04 -0.26 0.00 0.42 0.00 0.00 57.03 57.23 2k8m h ASP 49 Cb 0.56 0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.75 2k8m h ASP 49 CO 0.00 -0.41 -0.36 0.29 -2.88 0.00 0.00 179.24 175.88 2k8m n LYS 50 N -5.39 -2.76 -1.06 0.28 4.76 -0.61 -4.82 118.16 108.57 2k8m n LYS 50 Ca -0.11 0.40 -0.22 0.00 -2.87 0.00 0.00 58.31 55.52 2k8m n LYS 50 Cb 0.29 -5.02 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 -3.14 2.12 -3.64 1.97 5.02 -1.26 -4.85 118.16 114.37 2k8m n LYS 51 Ca -0.05 -2.55 -0.04 0.00 -2.02 0.00 0.00 58.31 53.64 2k8m n LYS 51 Cb 0.55 -2.00 -0.06 0.00 -0.02 0.00 0.00 35.03 33.50 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 -2.84 0.18 -0.30 1.97 -2.85 -1.26 -4.94 119.74 109.70 2k8m s LYS 52 Ca 0.49 0.17 -0.04 0.00 -1.00 0.00 0.00 55.97 55.59 2k8m s LYS 52 Cb 0.40 0.09 0.19 0.00 -2.06 0.00 0.00 37.83 36.45 2k8m s LYS 52 CO 0.07 -0.03 0.71 0.21 0.10 0.00 0.00 175.35 176.41 2k8m s LYS 53 N -0.16 0.48 -0.00 1.78 2.20 -1.26 -4.64 119.74 118.13 2k8m s LYS 53 Ca 0.06 0.85 0.07 0.00 -0.36 0.00 0.00 55.97 56.59 2k8m s LYS 53 Cb -0.04 0.47 -0.02 0.00 -1.51 0.00 0.00 37.83 36.73 2k8m s LYS 53 CO -0.12 -0.52 -0.22 0.12 -0.36 0.00 0.00 175.35 174.26 2k8m s PHE 54 N 2.88 1.95 -0.04 4.03 5.36 -1.26 -5.04 117.98 125.86 2k8m s PHE 54 Ca 0.16 -0.37 0.04 0.00 -0.96 0.00 0.00 56.93 55.80 2k8m s PHE 54 Cb -0.14 -1.23 -0.03 0.00 -0.34 0.00 0.00 43.02 41.28 2k8m s PHE 54 CO -0.19 -0.00 -0.15 -2.00 -1.46 0.00 0.00 175.22 171.42 2k8m s GLU 55 N -0.66 2.43 0.38 10.12 2.12 -1.26 -3.05 118.70 128.79 2k8m s GLU 55 Ca 0.08 -0.74 -0.01 0.00 0.36 0.00 0.00 54.97 54.66 2k8m s GLU 55 Cb -0.09 -2.34 0.08 0.00 0.26 0.00 0.00 34.13 32.05 2k8m s GLU 55 CO -0.00 0.61 0.53 0.25 -0.54 0.00 0.00 175.26 176.10 2k8m n THR 56 N 2.21 0.00 -2.47 -1.70 -2.24 -1.17 -5.05 114.28 103.87 2k8m n THR 56 Ca -0.17 -0.76 -0.41 0.00 -2.27 0.00 0.00 64.05 60.44 2k8m n THR 56 Cb 0.52 -1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 67.51 2k8m n THR 56 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2k8m s LYS 57 N -3.84 4.60 -0.67 -0.78 2.20 -1.26 -4.93 119.74 115.05 2k8m s LYS 57 Ca 0.34 1.79 -0.26 0.00 -0.36 0.00 0.00 55.97 57.48 2k8m s LYS 57 Cb -0.02 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 2k8m s LYS 57 CO 0.23 0.11 1.87 0.54 -0.36 0.00 0.00 175.35 177.74 2k8m s VAL 58 N -0.68 3.38 -1.16 4.02 0.11 -1.26 -4.70 120.40 120.11 2k8m s VAL 58 Ca 0.47 0.08 -0.21 0.00 -2.93 0.00 0.00 61.98 59.40 2k8m s VAL 58 Cb -0.31 -3.97 0.05 0.00 -1.53 0.00 0.00 36.38 30.62 2k8m s VAL 58 CO 0.38 -0.93 1.65 -1.00 -3.33 0.00 0.00 175.10 171.87 2k8m s HIS 59 N 9.24 2.59 0.23 1.54 0.09 -1.26 -4.96 115.29 122.76 2k8m s HIS 59 Ca 0.67 -1.08 -0.30 0.00 -0.00 0.00 0.00 55.06 54.35 2k8m s HIS 59 Cb -0.11 -4.66 -0.09 0.00 -0.00 0.00 0.00 32.58 27.72 2k8m s HIS 59 CO 0.16 -1.82 1.28 -0.98 -0.00 0.00 0.00 174.74 173.38 2k8m s ARG 60 N 4.79 4.41 -0.62 1.40 1.04 -1.26 -3.20 118.95 125.51 2k8m s ARG 60 Ca 0.52 2.05 -0.13 0.00 -1.04 0.00 0.00 55.73 57.14 2k8m s ARG 60 Cb 0.02 -3.17 0.02 0.00 -2.04 0.00 0.00 34.95 29.77 2k8m s ARG 60 CO 0.01 -0.19 0.64 1.63 -0.04 0.00 0.00 175.30 177.36 2k8m n LYS 61 N 2.11 -1.78 -3.52 3.89 4.76 -0.74 -4.94 118.16 117.94 2k8m n LYS 61 Ca 0.04 1.45 -0.16 0.00 -2.87 0.00 0.00 58.31 56.78 2k8m n LYS 61 Cb 0.43 -4.02 -0.05 0.00 -1.84 0.00 0.00 35.03 29.54 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 -2.55 0.00 0.00 -0.18 -1.32 0.50 -4.87 115.64 107.21 2k8m s THR 62 Ca 0.15 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 2k8m s THR 62 Cb -0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 2k8m s THR 62 CO 0.82 0.00 0.66 0.18 -2.21 0.00 0.00 174.62 174.07 2k8m n LEU 63 N 0.75 1.19 -2.88 9.08 4.77 -1.26 -3.92 117.00 124.72 2k8m n LEU 63 Ca -0.17 -1.19 -0.09 0.00 -0.03 0.00 0.00 56.01 54.54 2k8m n LEU 63 Cb 0.58 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.66 2k8m n LEU 63 CO 0.21 0.30 0.04 -3.20 -1.33 0.00 0.00 177.39 173.41 2k8m n ASN 64 N -0.21 -2.79 -4.74 -1.43 5.15 -1.26 -2.51 115.26 107.47 2k8m n ASN 64 Ca 0.00 -2.87 -0.39 0.00 -0.60 0.00 0.00 54.58 50.72 2k8m n ASN 64 Cb 0.19 1.31 -0.05 0.00 -0.53 0.00 0.00 39.78 40.70 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 0.65 4.35 -0.24 1.20 0.04 -1.24 -4.97 135.00 134.79 2k8m s PRO 65 Ca 0.31 0.71 0.02 0.00 0.04 0.00 0.00 61.00 62.08 2k8m s PRO 65 Cb 0.04 -3.39 0.06 0.00 0.04 0.00 0.00 34.50 31.25 2k8m s PRO 65 CO -0.10 0.24 -0.09 0.08 0.04 0.00 0.00 177.00 177.17 2k8m s VAL 66 N 0.26 1.81 0.00 -0.36 1.01 -1.26 -3.36 120.40 118.50 2k8m s VAL 66 Ca 0.32 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.96 2k8m s VAL 66 Cb -0.17 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.24 2k8m s VAL 66 CO 0.16 -0.01 0.00 0.33 0.00 0.00 0.00 175.10 175.58 2k8m n PHE 67 N 4.58 0.00 -3.24 5.22 -0.00 -1.24 -5.07 117.46 117.71 2k8m n PHE 67 Ca -0.13 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.17 2k8m n PHE 67 Cb 0.44 0.00 0.08 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 -0.57 -3.27 -4.75 -2.13 5.15 -1.06 -4.97 115.26 103.67 2k8m n ASN 68 Ca 0.00 -0.59 -0.35 0.00 -0.60 0.00 0.00 54.58 53.04 2k8m n ASN 68 Cb 0.00 -4.75 0.05 0.00 -0.53 0.00 0.00 39.78 34.55 2k8m n ASN 68 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k8m s GLU 69 N -4.96 2.81 -0.15 1.20 8.01 -1.23 -4.80 118.70 119.58 2k8m s GLU 69 Ca 0.12 1.71 -0.02 0.00 0.01 0.00 0.00 54.97 56.80 2k8m s GLU 69 Cb -0.02 -1.92 -0.02 0.00 -4.31 0.00 0.00 34.13 27.86 2k8m s GLU 69 CO 0.67 -1.31 -0.09 -1.14 0.01 0.00 0.00 175.26 173.40 2k8m s GLN 70 N -3.59 3.48 -0.10 1.61 0.74 -1.26 -3.30 119.66 117.24 2k8m s GLN 70 Ca 0.74 -0.63 0.02 0.00 0.05 0.00 0.00 55.36 55.55 2k8m s GLN 70 Cb -0.28 -2.76 -0.01 0.00 1.10 0.00 0.00 33.01 31.06 2k8m s GLN 70 CO 0.36 0.18 -0.16 0.12 -0.55 0.00 0.00 175.29 175.24 2k8m s PHE 71 N 0.47 2.71 -0.60 1.67 5.36 0.03 -5.02 117.98 122.60 2k8m s PHE 71 Ca -0.07 -0.61 -0.21 0.00 -0.96 0.00 0.00 56.93 55.08 2k8m s PHE 71 Cb -0.15 -1.75 0.07 0.00 -0.34 0.00 0.00 43.02 40.85 2k8m s PHE 71 CO 0.04 -0.16 0.84 0.95 -1.46 0.00 0.00 175.22 175.43 2k8m s THR 72 N 0.06 4.55 -1.33 0.12 -4.23 -1.26 -1.68 115.64 111.87 2k8m s THR 72 Ca -0.07 -0.48 -0.16 0.00 -1.18 0.00 0.00 61.69 59.80 2k8m s THR 72 Cb -0.15 -4.56 0.08 0.00 1.34 0.00 0.00 72.50 69.21 2k8m s THR 72 CO 0.05 -1.23 1.85 0.33 -0.54 0.00 0.00 174.62 175.08 2k8m n PHE 73 N 7.06 4.30 -1.91 3.99 7.35 -0.40 -4.90 117.46 132.96 2k8m n PHE 73 Ca -0.05 -2.93 -0.23 0.00 -0.76 0.00 0.00 57.45 53.47 2k8m n PHE 73 Cb 0.45 -2.53 -0.08 0.00 0.35 0.00 0.00 39.48 37.67 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 3.45 2.02 -0.08 -4.13 -0.14 -1.26 -1.45 119.74 118.16 2k8m s LYS 74 Ca 0.50 -0.92 -0.03 0.00 -1.36 0.00 0.00 55.97 54.16 2k8m s LYS 74 Cb 0.06 -5.15 0.04 0.00 -1.68 0.00 0.00 37.83 31.10 2k8m s LYS 74 CO 0.02 -4.54 0.16 0.08 -0.76 0.00 0.00 175.35 170.31 2k8m s VAL 75 N 13.18 -0.14 0.34 3.17 1.01 -1.25 -4.99 120.40 131.72 2k8m s VAL 75 Ca 0.73 0.25 -0.28 0.00 0.00 0.00 0.00 61.98 62.68 2k8m s VAL 75 Cb -0.02 -0.27 -0.12 0.00 0.00 0.00 0.00 36.38 35.97 2k8m s VAL 75 CO 0.15 0.11 1.35 -2.65 0.00 0.00 0.00 175.10 174.06 2k8m n PRO 76 N 4.69 2.27 0.31 2.72 -0.02 -1.25 -4.08 135.00 139.64 2k8m n PRO 76 Ca -0.17 0.80 0.21 0.00 -2.02 0.00 0.00 63.50 62.32 2k8m n PRO 76 Cb 0.51 -2.42 1.11 0.00 -0.02 0.00 0.00 33.50 32.68 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 2.76 0.00 -0.00 6.00 -0.00 -1.95 0.14 116.97 123.92 2k8m h TYR 77 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.26 2k8m h TYR 77 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.00 2k8m h TYR 77 CO 0.52 0.00 -0.05 -1.13 -0.00 0.00 0.00 178.16 177.50 2k8m n SER 78 N -2.98 0.07 -0.34 0.10 3.41 -1.26 -3.07 113.62 109.55 2k8m n SER 78 Ca -0.02 0.21 0.04 0.00 -0.26 0.00 0.00 58.87 58.83 2k8m n SER 78 Cb 0.09 -0.36 0.06 0.00 -0.26 0.00 0.00 64.21 63.73 2k8m n SER 78 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2k8m n GLU 79 N -1.41 1.11 -0.15 4.33 2.13 0.47 -4.64 120.64 122.49 2k8m n GLU 79 Ca 0.09 -1.28 0.02 0.00 0.66 0.00 0.00 57.16 56.64 2k8m n GLU 79 Cb 0.31 -1.15 0.30 0.00 0.27 0.00 0.00 31.44 31.17 2k8m n GLU 79 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2k8m h LEU 80 N 1.39 0.74 -2.14 4.31 5.85 -1.43 -1.98 115.31 122.05 2k8m h LEU 80 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2k8m h LEU 80 Cb 0.44 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2k8m h LEU 80 CO 0.00 0.54 0.00 1.23 -0.34 0.00 0.00 178.44 179.87 2k8m h GLY 81 N 0.88 0.00 -2.42 3.75 0.00 -1.82 -2.69 103.07 100.76 2k8m h GLY 81 Ca 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.44 2k8m h GLY 81 CO -0.05 0.00 -0.85 0.61 0.00 0.00 0.00 176.54 176.25 2k8m n GLY 82 N -0.94 2.62 2.47 4.60 0.00 -0.78 -4.47 105.19 108.69 2k8m n GLY 82 Ca -0.02 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.14 0.65 -3.05 1.61 3.00 -1.01 -5.08 118.16 114.14 2k8m n LYS 83 Ca 0.12 -3.49 -0.41 0.00 -0.00 0.00 0.00 58.31 54.52 2k8m n LYS 83 Cb 0.97 -1.76 -0.06 0.00 0.00 0.00 0.00 35.03 34.18 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 -0.48 4.93 0.21 3.15 2.01 -1.26 -4.66 115.64 119.54 2k8m s THR 84 Ca 0.32 1.19 0.01 0.00 0.31 0.00 0.00 61.69 63.52 2k8m s THR 84 Cb 0.04 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2k8m s THR 84 CO -0.18 -0.04 0.37 -1.48 -0.69 0.00 0.00 174.62 172.61 2k8m s LEU 85 N 2.63 4.25 0.05 4.42 2.34 -1.26 -4.21 118.68 126.89 2k8m s LEU 85 Ca 0.28 0.30 0.04 0.00 0.06 0.00 0.00 54.13 54.81 2k8m s LEU 85 Cb -0.15 -3.07 -0.02 0.00 -0.56 0.00 0.00 46.19 42.38 2k8m s LEU 85 CO 0.09 -0.05 -0.12 0.68 -1.06 0.00 0.00 176.35 175.90 2k8m s VAL 86 N -1.89 0.89 -0.20 1.48 -7.23 -1.24 -3.79 120.40 108.43 2k8m s VAL 86 Ca 0.37 -1.05 -0.01 0.00 -1.81 0.00 0.00 61.98 59.48 2k8m s VAL 86 Cb -0.11 -0.86 0.01 0.00 0.56 0.00 0.00 36.38 35.98 2k8m s VAL 86 CO 0.30 -0.16 -0.12 -0.32 -0.31 0.00 0.00 175.10 174.48 2k8m s MET 87 N -1.35 3.19 -0.10 4.82 1.75 -0.44 -1.27 119.30 125.91 2k8m s MET 87 Ca -0.03 -0.73 0.01 0.00 -1.25 0.00 0.00 55.69 53.70 2k8m s MET 87 Cb -0.09 -2.78 -0.02 0.00 2.84 0.00 0.00 34.83 34.78 2k8m s MET 87 CO 0.01 -0.19 -0.14 0.00 -0.65 0.00 0.00 175.02 174.06 2k8m s ALA 88 N 1.35 2.64 -0.22 4.11 0.00 -0.53 -1.59 121.76 127.51 2k8m s ALA 88 Ca 0.05 -0.92 -0.18 0.00 0.00 0.00 0.00 51.96 50.91 2k8m s ALA 88 Cb -0.14 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 2k8m s ALA 88 CO -0.08 0.37 0.49 0.54 0.00 0.00 0.00 175.76 177.08 2k8m s VAL 89 N -0.06 5.12 0.15 0.00 0.11 -0.54 -0.35 120.40 124.83 2k8m s VAL 89 Ca -0.03 0.88 0.06 0.00 -2.93 0.00 0.00 61.98 59.96 2k8m s VAL 89 Cb -0.14 -3.81 -0.04 0.00 -1.53 0.00 0.00 36.38 30.86 2k8m s VAL 89 CO 0.04 0.17 0.04 -0.47 -3.33 0.00 0.00 175.10 171.54 2k8m s TYR 90 N 1.77 2.96 0.19 1.54 5.04 0.33 -3.27 117.35 125.91 2k8m s TYR 90 Ca 0.22 -0.08 0.06 0.00 -2.44 0.00 0.00 57.07 54.83 2k8m s TYR 90 Cb -0.15 -1.45 -0.04 0.00 0.35 0.00 0.00 41.96 40.67 2k8m s TYR 90 CO 0.09 0.51 0.10 0.34 -1.34 0.00 0.00 175.55 175.25 2k8m s ASP 91 N -2.85 5.26 -0.35 4.32 2.15 -1.26 0.20 116.67 124.14 2k8m s ASP 91 Ca 0.28 -0.25 0.15 0.00 0.43 0.00 0.00 52.55 53.15 2k8m s ASP 91 Cb -0.10 -1.29 0.42 0.00 -0.30 0.00 0.00 42.92 41.66 2k8m s ASP 91 CO 0.20 0.05 0.90 0.33 -0.17 0.00 0.00 175.17 176.48 2k8m n PHE 92 N -0.46 1.19 0.25 -5.34 7.35 0.09 -4.81 117.46 115.73 2k8m n PHE 92 Ca -0.08 -3.16 0.16 0.00 -0.76 0.00 0.00 57.45 53.61 2k8m n PHE 92 Cb 0.56 -0.37 0.85 0.00 0.35 0.00 0.00 39.48 40.86 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 -1.42 -2.13 2.03 -1.89 -3.44 116.42 112.54 2k8m h ASP 93 Ca -0.00 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 56.05 2k8m h ASP 93 Cb 1.07 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.53 2k8m h ASP 93 CO 0.54 0.00 -0.29 0.54 -1.03 0.00 0.00 179.24 179.00 2k8m n ARG 94 N -2.64 -0.94 0.06 4.15 1.74 -1.26 -4.76 116.66 113.01 2k8m n ARG 94 Ca -0.02 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 2k8m n ARG 94 Cb 0.12 -4.83 0.00 0.00 -1.02 0.00 0.00 32.46 26.73 2k8m n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k8m n PHE 95 N -3.62 -2.16 -1.25 -1.55 7.35 -1.26 -5.12 117.46 109.84 2k8m n PHE 95 Ca -0.14 0.35 -0.31 0.00 -0.76 0.00 0.00 57.45 56.59 2k8m n PHE 95 Cb 0.55 1.15 0.10 0.00 0.35 0.00 0.00 39.48 41.63 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 -2.61 4.38 -1.46 -2.13 0.01 -1.26 -4.87 113.70 105.76 2k8m s SER 96 Ca 0.00 1.89 -0.14 0.00 1.31 0.00 0.00 55.95 59.01 2k8m s SER 96 Cb 0.00 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.72 2k8m s SER 96 CO 0.00 -2.12 2.31 0.29 0.41 0.00 0.00 173.24 174.13 2k8m n LYS 97 N -3.48 2.91 -1.62 12.44 4.76 -1.26 -4.85 118.16 127.06 2k8m n LYS 97 Ca 0.10 -2.53 -0.48 0.00 -2.87 0.00 0.00 58.31 52.53 2k8m n LYS 97 Cb 0.53 -3.22 -0.04 0.00 -1.84 0.00 0.00 35.03 30.46 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 5.83 1.74 -3.86 2.13 1.44 -1.26 -5.00 115.22 116.25 2k8m n HIS 98 Ca 0.55 0.53 0.00 0.00 -2.01 0.00 0.00 57.72 56.79 2k8m n HIS 98 Cb 0.37 -2.38 0.00 0.00 0.12 0.00 0.00 29.99 28.10 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 2.44 1.51 -4.62 4.39 2.03 -1.26 -4.88 116.55 116.15 2k8m n ASP 99 Ca 0.15 -0.86 -0.43 0.00 0.52 0.00 0.00 54.79 54.18 2k8m n ASP 99 Cb 0.26 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.63 2k8m n ASP 99 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2k8m s ILE 100 N -1.00 4.09 0.11 5.18 1.01 -1.26 -4.13 121.20 125.20 2k8m s ILE 100 Ca 0.00 1.20 -0.02 0.00 0.00 0.00 0.00 60.65 61.83 2k8m s ILE 100 Cb 0.00 -4.21 -0.23 0.00 0.01 0.00 0.00 42.46 38.03 2k8m s ILE 100 CO 0.00 -0.59 1.23 0.16 0.00 0.00 0.00 174.94 175.74 2k8m h ILE 101 N 6.11 1.50 -1.93 2.92 3.07 -1.79 -3.41 117.51 123.97 2k8m h ILE 101 Ca -0.26 -2.89 0.20 0.00 1.55 0.00 0.00 64.86 63.47 2k8m h ILE 101 Cb 1.10 2.74 -0.14 0.00 -0.27 0.00 0.00 36.82 40.25 2k8m h ILE 101 CO 1.05 0.84 0.64 -0.83 -1.05 0.00 0.00 178.15 178.81 2k8m s GLY 102 N -4.58 -0.36 0.29 0.16 0.00 -1.26 -1.96 107.32 99.61 2k8m s GLY 102 Ca -0.04 0.90 -0.20 0.00 0.00 0.00 0.00 44.72 45.39 2k8m s GLY 102 CO 0.86 0.27 0.70 -1.83 0.00 0.00 0.00 173.10 173.11 2k8m s GLU 103 N -2.84 1.82 -0.01 2.90 -1.05 -0.95 -1.46 118.70 117.10 2k8m s GLU 103 Ca 0.10 -1.07 -0.08 0.00 -0.15 0.00 0.00 54.97 53.77 2k8m s GLU 103 Cb 0.00 0.60 0.01 0.00 -0.44 0.00 0.00 34.13 34.29 2k8m s GLU 103 CO -0.04 -0.83 0.17 -0.59 0.95 0.00 0.00 175.26 174.91 2k8m s PHE 104 N -3.75 -0.02 0.01 4.83 -0.71 -0.62 -3.93 117.98 113.79 2k8m s PHE 104 Ca 0.13 0.01 -0.02 0.00 -1.04 0.00 0.00 56.93 56.00 2k8m s PHE 104 Cb -0.05 -0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.73 2k8m s PHE 104 CO 0.08 -0.27 0.02 -1.59 -1.34 0.00 0.00 175.22 172.12 2k8m s LYS 105 N -1.16 0.32 -0.03 1.99 0.00 -1.26 -1.33 119.74 118.27 2k8m s LYS 105 Ca -0.12 -0.46 -0.00 0.00 0.00 0.00 0.00 55.97 55.38 2k8m s LYS 105 Cb -0.06 0.12 0.03 0.00 0.00 0.00 0.00 37.83 37.92 2k8m s LYS 105 CO 0.02 -0.06 0.02 0.54 0.00 0.00 0.00 175.35 175.87 2k8m s VAL 106 N -1.24 0.02 -0.46 1.79 0.11 -1.25 -5.07 120.40 114.30 2k8m s VAL 106 Ca -0.13 0.20 -0.27 0.00 -2.93 0.00 0.00 61.98 58.84 2k8m s VAL 106 Cb -0.08 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 2k8m s VAL 106 CO -0.00 0.12 2.12 -2.16 -3.33 0.00 0.00 175.10 171.85 2k8m s PRO 107 N 1.20 2.60 0.62 1.54 0.04 -1.26 -4.42 135.00 135.33 2k8m s PRO 107 Ca -0.07 1.26 0.39 0.00 0.04 0.00 0.00 61.00 62.62 2k8m s PRO 107 Cb -0.13 -4.43 2.02 0.00 0.04 0.00 0.00 34.50 32.00 2k8m s PRO 107 CO -0.03 -2.72 2.23 0.52 0.04 0.00 0.00 177.00 177.04 2k8m h MET 108 N 16.47 0.00 -0.05 4.56 2.86 -1.83 -1.55 114.93 135.40 2k8m h MET 108 Ca -0.29 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.31 2k8m h MET 108 Cb 1.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 2k8m h MET 108 CO 1.13 0.01 -0.16 -0.97 1.06 0.00 0.00 176.91 177.98 2k8m h ASN 109 N 0.00 0.07 0.49 1.22 -1.24 -1.78 -2.70 115.58 111.63 2k8m h ASN 109 Ca -0.00 -0.01 -0.17 0.00 0.71 0.00 0.00 56.30 56.82 2k8m h ASN 109 Cb 0.18 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 2k8m h ASN 109 CO 0.00 0.23 -1.65 0.41 -1.29 0.00 0.00 177.43 175.13 2k8m n THR 110 N -4.32 1.04 -2.96 -3.57 -1.04 -0.61 -4.70 114.28 98.12 2k8m n THR 110 Ca -0.02 -0.69 -0.44 0.00 -2.04 0.00 0.00 64.05 60.86 2k8m n THR 110 Cb 0.24 -0.58 -0.03 0.00 -1.82 0.00 0.00 70.33 68.15 2k8m n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k8m s VAL 111 N -2.95 4.80 0.43 12.58 1.01 -1.02 -5.02 120.40 130.23 2k8m s VAL 111 Ca -0.05 -1.61 -0.24 0.00 0.00 0.00 0.00 61.98 60.08 2k8m s VAL 111 Cb 0.09 -4.75 -0.08 0.00 0.00 0.00 0.00 36.38 31.64 2k8m s VAL 111 CO 0.83 -1.46 1.14 1.51 0.00 0.00 0.00 175.10 177.12 2k8m s ASP 112 N 3.51 6.40 -1.38 3.32 -4.77 -1.26 -4.86 116.67 117.63 2k8m s ASP 112 Ca 0.31 2.27 -0.11 0.00 -3.30 0.00 0.00 52.55 51.72 2k8m s ASP 112 Cb -0.06 -2.60 0.09 0.00 -1.09 0.00 0.00 42.92 39.26 2k8m s ASP 112 CO -0.09 -0.75 2.15 2.22 0.70 0.00 0.00 175.17 179.40 2k8m n PHE 113 N -0.21 3.10 0.23 2.11 -1.74 -1.26 -4.72 117.46 114.96 2k8m n PHE 113 Ca 0.06 -2.89 -0.10 0.00 -0.56 0.00 0.00 57.45 53.96 2k8m n PHE 113 Cb 0.48 -2.23 -0.05 0.00 1.52 0.00 0.00 39.48 39.21 2k8m n PHE 113 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2k8m h GLY 114 N 8.46 -0.65 0.00 4.97 0.00 -2.01 -3.47 103.07 110.37 2k8m h GLY 114 Ca 0.53 0.24 0.00 0.00 0.00 0.00 0.00 47.33 48.10 2k8m h GLY 114 CO 1.74 -0.24 0.00 1.42 0.00 0.00 0.00 176.54 179.46 2k8m n HIS 115 N -4.84 0.00 -3.70 5.60 8.25 -1.26 -5.13 115.22 114.14 2k8m n HIS 115 Ca -0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.25 2k8m n HIS 115 Cb 0.25 0.22 -0.07 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.60 0.06 -0.76 1.59 -7.23 -1.26 -4.57 120.40 107.61 2k8m s VAL 116 Ca 0.00 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 2k8m s VAL 116 Cb 0.00 -0.82 0.19 0.00 0.56 0.00 0.00 36.38 36.31 2k8m s VAL 116 CO 0.00 -0.25 0.60 -0.89 -0.31 0.00 0.00 175.10 174.25 2k8m s THR 117 N -1.89 3.69 -0.26 5.32 2.01 0.69 -4.98 115.64 120.22 2k8m s THR 117 Ca -0.09 -3.79 -0.05 0.00 0.31 0.00 0.00 61.69 58.06 2k8m s THR 117 Cb -0.03 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.13 2k8m s THR 117 CO 0.01 -1.01 0.02 -1.61 -0.69 0.00 0.00 174.62 171.35 2k8m s GLU 118 N -1.08 3.22 0.14 4.92 2.02 -1.26 -0.92 118.70 125.74 2k8m s GLU 118 Ca 0.24 -0.75 -0.09 0.00 0.02 0.00 0.00 54.97 54.39 2k8m s GLU 118 Cb -0.10 -3.19 0.03 0.00 0.10 0.00 0.00 34.13 30.97 2k8m s GLU 118 CO -0.11 -0.32 0.44 -0.85 0.02 0.00 0.00 175.26 174.44 2k8m n GLU 119 N 4.82 0.43 -3.79 1.61 0.28 -0.91 -5.02 120.64 118.07 2k8m n GLU 119 Ca -0.16 -0.90 -0.37 0.00 -0.16 0.00 0.00 57.16 55.57 2k8m n GLU 119 Cb 0.49 1.16 -0.13 0.00 1.43 0.00 0.00 31.44 34.40 2k8m n GLU 119 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2k8m s TRP 120 N -4.91 3.22 -0.07 -1.84 0.52 -1.26 -2.26 118.94 112.34 2k8m s TRP 120 Ca 0.09 -1.40 -0.18 0.00 0.02 0.00 0.00 56.10 54.64 2k8m s TRP 120 Cb -0.02 -2.23 -0.05 0.00 -1.15 0.00 0.00 33.47 30.02 2k8m s TRP 120 CO 0.04 -0.71 0.50 0.50 0.02 0.00 0.00 176.95 177.30 2k8m s ARG 121 N 1.40 4.26 0.23 4.98 6.06 0.15 -4.92 118.95 131.11 2k8m s ARG 121 Ca -0.01 0.52 -0.30 0.00 -2.50 0.00 0.00 55.73 53.44 2k8m s ARG 121 Cb -0.19 -3.37 -0.09 0.00 0.06 0.00 0.00 34.95 31.36 2k8m s ARG 121 CO 0.02 0.31 1.06 0.16 -2.50 0.00 0.00 175.30 174.34 2k8m s ASP 122 N 0.12 7.37 0.07 -2.12 -4.77 -1.26 -0.10 116.67 115.97 2k8m s ASP 122 Ca 0.27 2.11 0.02 0.00 -3.30 0.00 0.00 52.55 51.65 2k8m s ASP 122 Cb -0.16 -2.61 -0.04 0.00 -1.09 0.00 0.00 42.92 39.02 2k8m s ASP 122 CO 0.13 -0.10 0.13 -0.76 0.70 0.00 0.00 175.17 175.27 2k8m s LEU 123 N -0.93 4.01 0.02 2.11 1.43 -0.02 -4.86 118.68 120.44 2k8m s LEU 123 Ca 0.45 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.63 2k8m s LEU 123 Cb -0.29 -2.66 -0.01 0.00 0.03 0.00 0.00 46.19 43.25 2k8m s LEU 123 CO 0.36 0.17 0.02 0.00 0.23 0.00 0.00 176.35 177.13 2k8m s GLN 124 N -2.44 0.37 0.14 1.70 -2.07 -1.25 -2.53 119.66 113.57 2k8m s GLN 124 Ca 0.31 -0.58 -0.31 0.00 -1.82 0.00 0.00 55.36 52.97 2k8m s GLN 124 Cb -0.12 0.14 -0.08 0.00 -1.09 0.00 0.00 33.01 31.85 2k8m s GLN 124 CO 0.24 -0.07 1.37 -1.12 -1.32 0.00 0.00 175.29 174.39 2k8m s SER 125 N -1.50 6.85 -0.50 12.60 0.01 -1.23 -2.24 113.70 127.70 2k8m s SER 125 Ca -0.15 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.46 2k8m s SER 125 Cb -0.09 -2.59 0.13 0.00 0.21 0.00 0.00 66.02 63.68 2k8m s SER 125 CO -0.01 -0.62 0.27 0.00 0.41 0.00 0.00 173.24 173.29 2k8m s ALA 126 N 0.85 3.29 -0.79 1.44 0.00 -0.83 -4.85 121.76 120.87 2k8m s ALA 126 Ca 0.62 -2.98 -0.25 0.00 0.00 0.00 0.00 51.96 49.35 2k8m s ALA 126 Cb -0.37 -2.34 -0.00 0.00 0.00 0.00 0.00 23.12 20.41 2k8m s ALA 126 CO 0.32 -1.94 1.68 -1.21 0.00 0.00 0.00 175.76 174.62 2k8m s GLU 127 N 0.31 2.90 0.00 0.00 2.02 -1.26 -4.50 118.70 118.17 2k8m s GLU 127 Ca 0.14 -0.13 0.18 0.00 0.02 0.00 0.00 54.97 55.18 2k8m s GLU 127 Cb -0.22 -4.70 0.14 0.00 0.10 0.00 0.00 34.13 29.45 2k8m s GLU 127 CO -0.03 -2.68 1.06 1.63 0.02 0.00 0.00 175.26 175.25