#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8m s LYS 2 N 0.00 2.94 0.00 3.49 -2.85 -1.26 -4.08 119.74 117.98 2k8m s LYS 2 Ca 0.00 -0.82 0.00 0.00 -1.00 0.00 0.00 55.97 54.15 2k8m s LYS 2 Cb 0.00 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 33.35 2k8m s LYS 2 CO 0.00 -0.06 0.28 -0.11 0.10 0.00 0.00 175.35 175.56 2k8m n LEU 3 N 4.21 0.26 0.00 2.77 7.94 -1.06 -4.16 117.00 126.96 2k8m n LEU 3 Ca -0.20 -0.26 0.00 0.00 -1.11 0.00 0.00 56.01 54.44 2k8m n LEU 3 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2k8m n LEU 3 CO 0.26 0.06 0.00 0.61 -1.11 0.00 0.00 177.39 177.22 2k8m n GLY 4 N -0.04 -0.06 3.02 -3.96 0.00 -1.24 -4.32 105.19 98.59 2k8m n GLY 4 Ca 0.00 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 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 0.42 -0.06 1.61 1.02 -0.99 -0.22 119.74 121.52 2k8m s LYS 5 Ca 0.00 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 55.40 2k8m s LYS 5 Cb 0.00 -0.16 0.01 0.00 -0.52 0.00 0.00 37.83 37.16 2k8m s LYS 5 CO 0.00 0.02 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.14 2k8m s LEU 6 N -1.33 1.75 -0.18 3.17 0.20 0.41 -1.01 118.68 121.68 2k8m s LEU 6 Ca -0.10 -0.32 -0.08 0.00 0.69 0.00 0.00 54.13 54.31 2k8m s LEU 6 Cb -0.09 -0.88 -0.04 0.00 -0.43 0.00 0.00 46.19 44.74 2k8m s LEU 6 CO -0.00 0.07 0.09 -1.10 -0.29 0.00 0.00 176.35 175.12 2k8m s GLN 7 N 0.47 4.02 0.14 1.98 -1.52 -0.49 -1.41 119.66 122.86 2k8m s GLN 7 Ca -0.12 -0.28 -0.14 0.00 -1.95 0.00 0.00 55.36 52.87 2k8m s GLN 7 Cb -0.15 -3.29 0.02 0.00 -0.22 0.00 0.00 33.01 29.37 2k8m s GLN 7 CO 0.04 0.32 0.38 1.52 -0.25 0.00 0.00 175.29 177.30 2k8m s TYR 8 N 0.26 -0.07 -0.09 0.91 1.13 -1.20 -0.16 117.35 118.13 2k8m s TYR 8 Ca 0.06 -0.28 -0.01 0.00 -1.41 0.00 0.00 57.07 55.43 2k8m s TYR 8 Cb -0.12 0.20 0.03 0.00 -1.10 0.00 0.00 41.96 40.97 2k8m s TYR 8 CO -0.01 -0.72 -0.03 -1.54 -2.51 0.00 0.00 175.55 170.74 2k8m s SER 9 N -2.84 1.86 -0.27 -0.18 1.04 0.26 -3.02 113.70 110.55 2k8m s SER 9 Ca 0.06 -0.19 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 2k8m s SER 9 Cb 0.02 -0.62 -0.00 0.00 0.10 0.00 0.00 66.02 65.52 2k8m s SER 9 CO -0.09 -0.16 0.05 -0.76 0.98 0.00 0.00 173.24 173.26 2k8m s LEU 10 N 1.85 3.53 0.06 2.42 1.43 -0.19 -2.31 118.68 125.47 2k8m s LEU 10 Ca 0.05 -0.55 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 2k8m s LEU 10 Cb -0.12 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 2k8m s LEU 10 CO -0.07 -0.12 -0.18 1.51 0.23 0.00 0.00 176.35 177.72 2k8m s ASP 11 N 1.51 3.79 0.02 2.29 -4.77 -1.04 0.26 116.67 118.73 2k8m s ASP 11 Ca 0.04 -0.46 -0.01 0.00 -3.30 0.00 0.00 52.55 48.82 2k8m s ASP 11 Cb -0.16 -0.59 -0.04 0.00 -1.09 0.00 0.00 42.92 41.04 2k8m s ASP 11 CO 0.01 0.24 0.17 -0.72 0.70 0.00 0.00 175.17 175.57 2k8m s TYR 12 N -0.96 3.48 -0.07 2.11 1.13 -1.25 -0.27 117.35 121.52 2k8m s TYR 12 Ca 0.15 0.29 -0.01 0.00 -1.41 0.00 0.00 57.07 56.09 2k8m s TYR 12 Cb -0.10 -1.78 0.03 0.00 -1.10 0.00 0.00 41.96 39.00 2k8m s TYR 12 CO 0.06 0.61 -0.01 0.34 -2.51 0.00 0.00 175.55 174.04 2k8m s ASP 13 N -2.09 1.55 0.00 -0.18 -1.08 -0.78 -4.95 116.67 109.14 2k8m s ASP 13 Ca 0.29 -0.12 0.24 0.00 -0.52 0.00 0.00 52.55 52.45 2k8m s ASP 13 Cb -0.13 -0.49 0.36 0.00 -1.46 0.00 0.00 42.92 41.20 2k8m s ASP 13 CO 0.21 -0.16 1.32 2.22 0.52 0.00 0.00 175.17 179.27 2k8m n PHE 14 N 4.95 0.00 0.06 -5.34 1.16 -1.26 -1.69 117.46 115.34 2k8m n PHE 14 Ca -0.11 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.37 2k8m n PHE 14 Cb 0.50 -0.07 0.01 0.00 -1.61 0.00 0.00 39.48 38.32 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 1.57 0.37 -0.01 3.97 3.07 -1.95 -3.26 115.11 118.88 2k8m h GLN 15 Ca 0.00 -0.33 0.00 0.00 0.09 0.00 0.00 58.65 58.41 2k8m h GLN 15 Cb 0.61 0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.25 2k8m h GLN 15 CO 0.00 0.98 -0.05 0.27 0.09 0.00 0.00 178.83 180.12 2k8m n ASN 16 N -3.80 1.19 -3.20 0.06 0.23 -1.26 -5.04 115.26 103.45 2k8m n ASN 16 Ca -0.05 -1.10 -0.07 0.00 -0.53 0.00 0.00 54.58 52.83 2k8m n ASN 16 Cb 0.74 0.23 0.02 0.00 -2.08 0.00 0.00 39.78 38.69 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 -0.01 -7.16 -3.64 0.53 2.85 -1.06 -4.93 115.26 101.84 2k8m n ASN 17 Ca 0.03 -0.35 -0.10 0.00 -0.11 0.00 0.00 54.58 54.05 2k8m n ASN 17 Cb 0.13 -4.89 -0.02 0.00 1.24 0.00 0.00 39.78 36.23 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 -3.66 1.51 -0.15 1.20 1.03 -0.68 -3.36 119.66 115.54 2k8m s GLN 18 Ca 0.14 -0.73 -0.04 0.00 0.04 0.00 0.00 55.36 54.76 2k8m s GLN 18 Cb -0.02 0.59 -0.03 0.00 0.03 0.00 0.00 33.01 33.58 2k8m s GLN 18 CO 0.77 -0.67 -0.02 -0.51 -2.54 0.00 0.00 175.29 172.31 2k8m s LEU 19 N -2.84 3.34 -0.71 2.60 1.43 -0.90 -1.87 118.68 119.74 2k8m s LEU 19 Ca 0.06 -0.09 -0.22 0.00 -1.03 0.00 0.00 54.13 52.85 2k8m s LEU 19 Cb -0.03 -1.81 0.08 0.00 0.03 0.00 0.00 46.19 44.46 2k8m s LEU 19 CO -0.03 0.18 1.01 -0.22 0.23 0.00 0.00 176.35 177.52 2k8m s LEU 20 N 0.27 4.43 -0.85 1.79 1.98 0.63 -1.91 118.68 125.02 2k8m s LEU 20 Ca -0.02 -1.15 -0.22 0.00 -2.89 0.00 0.00 54.13 49.85 2k8m s LEU 20 Cb -0.14 -2.42 0.08 0.00 0.66 0.00 0.00 46.19 44.37 2k8m s LEU 20 CO 0.03 -1.40 1.18 -0.69 -1.89 0.00 0.00 176.35 173.57 2k8m s VAL 21 N 3.93 4.30 -0.44 1.68 1.01 -0.95 -2.50 120.40 127.43 2k8m s VAL 21 Ca 0.25 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 2k8m s VAL 21 Cb -0.14 -4.84 0.10 0.00 0.00 0.00 0.00 36.38 31.50 2k8m s VAL 21 CO 0.07 -1.64 0.30 -0.83 0.00 0.00 0.00 175.10 173.00 2k8m s GLY 22 N 3.99 2.00 -0.02 4.51 0.00 -0.98 -1.95 107.32 114.87 2k8m s GLY 22 Ca 0.33 -2.33 -0.23 0.00 0.00 0.00 0.00 44.72 42.50 2k8m s GLY 22 CO -0.01 1.04 0.67 -0.26 0.00 0.00 0.00 173.10 174.53 2k8m s ILE 23 N 1.40 4.94 -0.07 0.90 -0.00 -1.23 -0.58 121.20 126.56 2k8m s ILE 23 Ca 0.04 1.40 -0.00 0.00 -0.00 0.00 0.00 60.65 62.09 2k8m s ILE 23 Cb -0.25 -4.01 -0.00 0.00 -0.00 0.00 0.00 42.46 38.20 2k8m s ILE 23 CO 0.01 0.33 0.01 0.40 -0.00 0.00 0.00 174.94 175.69 2k8m h ILE 24 N 4.41 0.00 -2.31 8.37 2.04 -0.91 -3.28 117.51 125.84 2k8m h ILE 24 Ca -0.43 -0.73 0.16 0.00 1.00 0.00 0.00 64.86 64.86 2k8m h ILE 24 Cb 1.20 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.18 2k8m h ILE 24 CO 0.73 0.00 0.49 0.00 0.00 0.00 0.00 178.15 179.37 2k8m s GLN 25 N -1.43 1.06 -0.04 2.37 1.03 -1.11 -3.58 119.66 117.97 2k8m s GLN 25 Ca -0.00 -0.54 0.06 0.00 0.04 0.00 0.00 55.36 54.92 2k8m s GLN 25 Cb 0.00 0.39 -0.01 0.00 0.03 0.00 0.00 33.01 33.42 2k8m s GLN 25 CO 0.00 -0.48 -0.22 0.00 -2.54 0.00 0.00 175.29 172.06 2k8m s ALA 26 N -3.22 1.85 0.01 2.60 0.00 -1.20 -1.39 121.76 120.41 2k8m s ALA 26 Ca 0.10 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.22 2k8m s ALA 26 Cb -0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 2k8m s ALA 26 CO -0.02 0.39 -0.22 0.00 0.00 0.00 0.00 175.76 175.91 2k8m s ALA 27 N -0.24 1.84 -0.87 0.00 0.00 -0.18 -3.57 121.76 118.75 2k8m s ALA 27 Ca 0.01 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 2k8m s ALA 27 Cb -0.11 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 2k8m s ALA 27 CO 0.01 0.44 0.76 0.39 0.00 0.00 0.00 175.76 177.37 2k8m n GLU 28 N 2.18 -1.84 -3.33 0.00 1.02 -1.12 -2.35 120.64 115.20 2k8m n GLU 28 Ca -0.16 0.80 -0.33 0.00 -0.02 0.00 0.00 57.16 57.45 2k8m n GLU 28 Cb 0.53 -5.19 -0.06 0.00 -0.02 0.00 0.00 31.44 26.70 2k8m n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k8m s LEU 29 N -4.90 4.17 0.58 -4.62 1.43 -1.10 -3.64 118.68 110.60 2k8m s LEU 29 Ca 0.35 1.04 -0.18 0.00 -1.03 0.00 0.00 54.13 54.31 2k8m s LEU 29 Cb -0.05 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 2k8m s LEU 29 CO 0.63 -0.08 1.14 -2.84 0.23 0.00 0.00 176.35 175.44 2k8m s PRO 30 N -2.71 3.15 0.33 1.29 0.02 -1.26 -4.87 135.00 130.95 2k8m s PRO 30 Ca 0.47 1.63 -0.22 0.00 0.02 0.00 0.00 61.00 62.90 2k8m s PRO 30 Cb -0.12 -1.98 -0.10 0.00 0.02 0.00 0.00 34.50 32.33 2k8m s PRO 30 CO 0.20 -1.01 0.87 0.00 -0.33 0.00 0.00 177.00 176.72 2k8m s ALA 31 N -1.83 3.23 0.00 -1.55 0.00 -1.26 -4.71 121.76 115.64 2k8m s ALA 31 Ca 0.73 0.35 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2k8m s ALA 31 Cb -0.25 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2k8m s ALA 31 CO 0.31 0.22 0.00 -0.11 0.00 0.00 0.00 175.76 176.18 2k8m n LEU 32 N 0.18 0.25 -4.77 0.00 -0.00 -1.01 -4.98 117.00 106.67 2k8m n LEU 32 Ca 0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.72 2k8m n LEU 32 Cb 0.52 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 44.01 2k8m n LEU 32 CO 0.42 -0.16 0.71 -0.62 -0.00 0.00 0.00 177.39 177.74 2k8m s ASP 33 N -4.05 4.72 -1.33 1.96 2.15 0.16 -4.89 116.67 115.39 2k8m s ASP 33 Ca 0.00 1.89 -0.17 0.00 0.43 0.00 0.00 52.55 54.70 2k8m s ASP 33 Cb 0.00 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 40.12 2k8m s ASP 33 CO 0.00 -1.89 1.97 0.80 -0.17 0.00 0.00 175.17 175.88 2k8m n MET 34 N -3.12 2.86 0.00 4.34 0.00 -1.26 -3.14 117.12 116.79 2k8m n MET 34 Ca 0.10 -2.86 0.00 0.00 -0.00 0.00 0.00 57.70 54.94 2k8m n MET 34 Cb 0.53 -3.39 0.00 0.00 0.00 0.00 0.00 33.22 30.36 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 4.81 0.11 0.00 -5.12 0.00 -1.26 -4.98 105.19 98.75 2k8m n GLY 35 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.70 1.65 -0.02 0.00 -1.19 -5.08 105.19 101.25 2k8m n GLY 36 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2k8m n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k8m n THR 37 N -1.09 0.00 -4.02 2.61 -2.24 -1.26 -4.64 114.28 103.64 2k8m n THR 37 Ca 0.00 -1.06 -0.10 0.00 -2.27 0.00 0.00 64.05 60.62 2k8m n THR 37 Cb 0.00 0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.28 2k8m n THR 37 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k8m s SER 38 N -2.30 0.07 -0.61 3.42 0.01 -1.25 -0.66 113.70 112.38 2k8m s SER 38 Ca 0.03 -1.05 0.06 0.00 1.31 0.00 0.00 55.95 56.30 2k8m s SER 38 Cb -0.00 0.59 0.29 0.00 0.21 0.00 0.00 66.02 67.10 2k8m s SER 38 CO 0.02 -1.15 0.82 0.47 0.41 0.00 0.00 173.24 173.81 2k8m n ASP 39 N -0.54 3.93 -4.73 2.44 9.92 -1.26 -1.17 116.55 125.14 2k8m n ASP 39 Ca -0.01 -3.52 -0.38 0.00 -0.53 0.00 0.00 54.79 50.35 2k8m n ASP 39 Cb 0.62 -0.63 -0.06 0.00 -0.64 0.00 0.00 41.12 40.41 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 -2.84 4.31 0.01 -0.24 0.04 -1.19 -0.18 135.00 134.90 2k8m s PRO 40 Ca 0.43 0.38 0.06 0.00 0.04 0.00 0.00 61.00 61.92 2k8m s PRO 40 Cb 0.20 -3.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 2k8m s PRO 40 CO -0.06 0.19 -0.19 1.52 0.04 0.00 0.00 177.00 178.50 2k8m s TYR 41 N 0.53 1.68 -0.34 0.56 1.13 0.13 -4.05 117.35 117.00 2k8m s TYR 41 Ca 0.24 -0.33 -0.24 0.00 -1.41 0.00 0.00 57.07 55.33 2k8m s TYR 41 Cb -0.15 -1.05 0.01 0.00 -1.10 0.00 0.00 41.96 39.67 2k8m s TYR 41 CO 0.09 0.01 0.80 0.14 -2.51 0.00 0.00 175.55 174.08 2k8m s VAL 42 N -0.57 4.74 -0.13 -3.49 -7.23 -1.26 -0.38 120.40 112.08 2k8m s VAL 42 Ca 0.07 1.04 -0.03 0.00 -1.81 0.00 0.00 61.98 61.25 2k8m s VAL 42 Cb -0.08 -4.20 -0.03 0.00 0.56 0.00 0.00 36.38 32.64 2k8m s VAL 42 CO 0.00 -0.37 -0.03 -1.59 -0.31 0.00 0.00 175.10 172.80 2k8m s LYS 43 N 3.08 3.39 0.20 4.82 -2.85 0.61 -4.02 119.74 124.98 2k8m s LYS 43 Ca 0.32 -0.49 -0.29 0.00 -1.00 0.00 0.00 55.97 54.51 2k8m s LYS 43 Cb -0.13 -2.85 -0.08 0.00 -2.06 0.00 0.00 37.83 32.70 2k8m s LYS 43 CO 0.15 0.42 0.92 0.14 0.10 0.00 0.00 175.35 177.08 2k8m s VAL 44 N -0.11 4.20 0.03 1.79 -7.23 -1.21 -1.62 120.40 116.24 2k8m s VAL 44 Ca 0.03 2.04 0.04 0.00 -1.81 0.00 0.00 61.98 62.28 2k8m s VAL 44 Cb -0.13 -4.30 -0.02 0.00 0.56 0.00 0.00 36.38 32.49 2k8m s VAL 44 CO 0.02 0.46 -0.13 -0.36 -0.31 0.00 0.00 175.10 174.78 2k8m s PHE 45 N -0.92 1.18 0.34 2.82 0.08 -0.12 -4.47 117.98 116.88 2k8m s PHE 45 Ca 0.42 -0.32 0.07 0.00 0.12 0.00 0.00 56.93 57.22 2k8m s PHE 45 Cb -0.25 -0.71 -0.07 0.00 -0.57 0.00 0.00 43.02 41.42 2k8m s PHE 45 CO 0.31 0.02 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.91 2k8m s LEU 46 N -0.93 2.60 0.00 -0.37 2.01 -1.26 -0.94 118.68 119.79 2k8m s LEU 46 Ca 0.02 -1.27 0.00 0.00 0.01 0.00 0.00 54.13 52.89 2k8m s LEU 46 Cb -0.07 -0.76 0.00 0.00 0.01 0.00 0.00 46.19 45.37 2k8m s LEU 46 CO 0.01 -0.38 0.00 0.00 1.01 0.00 0.00 176.35 176.99 2k8m n LEU 47 N -0.76 0.00 0.02 1.79 -0.00 -1.21 -4.62 117.00 112.22 2k8m n LEU 47 Ca -0.05 0.00 0.17 0.00 -0.00 0.00 0.00 56.01 56.14 2k8m n LEU 47 Cb 0.65 0.00 0.31 0.00 -0.00 0.00 0.00 43.42 44.38 2k8m n LEU 47 CO 0.44 -0.74 1.16 -0.65 -0.00 0.00 0.00 177.39 177.59 2k8m h PRO 48 N 0.00 0.00 0.04 1.47 0.11 -1.98 -1.74 132.00 129.90 2k8m h PRO 48 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 2k8m h PRO 48 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 2k8m h PRO 48 CO 0.00 0.00 -0.43 0.22 -0.21 0.00 0.00 178.00 177.58 2k8m h ASP 49 N 0.00 -1.32 -2.57 -2.05 3.58 -1.95 -3.45 116.42 108.66 2k8m h ASP 49 Ca 0.28 0.14 -0.21 0.00 0.42 0.00 0.00 57.03 57.66 2k8m h ASP 49 Cb 2.42 0.50 -0.05 0.00 1.72 0.00 0.00 39.33 43.91 2k8m h ASP 49 CO -0.00 -0.43 -0.23 0.29 -2.88 0.00 0.00 179.24 175.99 2k8m n LYS 50 N -4.88 -1.71 -0.89 0.28 4.76 -0.66 -4.81 118.16 110.25 2k8m n LYS 50 Ca -0.06 0.57 -0.18 0.00 -2.87 0.00 0.00 58.31 55.78 2k8m n LYS 50 Cb 0.33 -4.94 0.05 0.00 -1.84 0.00 0.00 35.03 28.63 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 -2.15 1.85 -3.64 1.97 5.02 -1.26 -4.81 118.16 115.14 2k8m n LYS 51 Ca -0.11 -1.70 -0.04 0.00 -2.02 0.00 0.00 58.31 54.43 2k8m n LYS 51 Cb 0.45 -1.67 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.97 0.18 -0.30 1.97 -2.85 -1.26 -4.89 119.74 110.61 2k8m s LYS 52 Ca 0.33 0.13 -0.13 0.00 -1.00 0.00 0.00 55.97 55.31 2k8m s LYS 52 Cb 0.27 0.09 0.14 0.00 -2.06 0.00 0.00 37.83 36.26 2k8m s LYS 52 CO 0.00 -0.04 0.80 0.21 0.10 0.00 0.00 175.35 176.42 2k8m s LYS 53 N -0.38 0.48 -0.03 1.78 2.20 -1.26 -4.72 119.74 117.81 2k8m s LYS 53 Ca 0.06 1.12 0.03 0.00 -0.36 0.00 0.00 55.97 56.82 2k8m s LYS 53 Cb -0.03 0.59 0.00 0.00 -1.51 0.00 0.00 37.83 36.88 2k8m s LYS 53 CO -0.10 -0.15 -0.11 0.12 -0.36 0.00 0.00 175.35 174.74 2k8m s PHE 54 N 2.50 1.17 -0.16 4.03 5.36 -1.26 -5.06 117.98 124.56 2k8m s PHE 54 Ca -0.05 -0.31 -0.06 0.00 -0.96 0.00 0.00 56.93 55.54 2k8m s PHE 54 Cb -0.09 -0.82 -0.04 0.00 -0.34 0.00 0.00 43.02 41.74 2k8m s PHE 54 CO -0.18 -0.13 0.03 -2.00 -1.46 0.00 0.00 175.22 171.48 2k8m s GLU 55 N 0.19 3.78 0.75 10.12 2.56 -1.26 -3.29 118.70 131.55 2k8m s GLU 55 Ca -0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 54.97 54.52 2k8m s GLU 55 Cb -0.10 -3.09 0.14 0.00 2.00 0.00 0.00 34.13 33.08 2k8m s GLU 55 CO 0.01 0.32 1.03 0.95 -0.56 0.00 0.00 175.26 177.01 2k8m s THR 56 N 0.20 2.08 0.12 -1.70 -4.23 -1.26 -5.05 115.64 105.80 2k8m s THR 56 Ca 0.02 -0.56 -0.30 0.00 -1.18 0.00 0.00 61.69 59.67 2k8m s THR 56 Cb -0.13 -2.52 -0.06 0.00 1.34 0.00 0.00 72.50 71.13 2k8m s THR 56 CO 0.01 0.00 1.15 -0.75 -0.54 0.00 0.00 174.62 174.49 2k8m s LYS 57 N -5.21 4.51 -0.31 3.99 2.36 -1.26 -4.95 119.74 118.88 2k8m s LYS 57 Ca 0.67 1.74 -0.28 0.00 -2.55 0.00 0.00 55.97 55.55 2k8m s LYS 57 Cb -0.05 -3.31 -0.02 0.00 -1.05 0.00 0.00 37.83 33.39 2k8m s LYS 57 CO 0.45 -0.10 1.86 0.54 1.55 0.00 0.00 175.35 179.66 2k8m s VAL 58 N 0.43 3.41 -0.96 4.02 0.11 -1.26 -4.74 120.40 121.40 2k8m s VAL 58 Ca 0.54 0.42 -0.21 0.00 -2.93 0.00 0.00 61.98 59.80 2k8m s VAL 58 Cb -0.29 -3.54 0.09 0.00 -1.53 0.00 0.00 36.38 31.11 2k8m s VAL 58 CO 0.32 -0.34 1.26 -1.00 -3.33 0.00 0.00 175.10 172.01 2k8m s HIS 59 N 7.03 2.84 0.24 1.54 0.09 -1.26 -5.00 115.29 120.78 2k8m s HIS 59 Ca 0.83 -1.11 -0.30 0.00 -0.00 0.00 0.00 55.06 54.48 2k8m s HIS 59 Cb -0.24 -4.47 -0.09 0.00 -0.00 0.00 0.00 32.58 27.78 2k8m s HIS 59 CO 0.34 -1.70 1.02 -0.98 -0.00 0.00 0.00 174.74 173.42 2k8m s ARG 60 N 3.75 4.74 -0.88 1.40 1.70 -1.26 -3.19 118.95 125.21 2k8m s ARG 60 Ca 0.38 1.63 -0.06 0.00 -0.47 0.00 0.00 55.73 57.21 2k8m s ARG 60 Cb -0.03 -3.25 -0.00 0.00 -0.57 0.00 0.00 34.95 31.10 2k8m s ARG 60 CO -0.09 0.35 0.68 1.63 -1.08 0.00 0.00 175.30 176.79 2k8m n LYS 61 N 1.52 -1.36 -3.53 3.89 4.76 -0.83 -4.95 118.16 117.67 2k8m n LYS 61 Ca -0.01 0.91 -0.12 0.00 -2.87 0.00 0.00 58.31 56.22 2k8m n LYS 61 Cb 0.46 -3.78 -0.04 0.00 -1.84 0.00 0.00 35.03 29.83 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 -3.11 0.00 -0.04 -0.18 -1.32 -0.32 -4.87 115.64 105.81 2k8m s THR 62 Ca 0.12 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.65 2k8m s THR 62 Cb -0.05 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.03 2k8m s THR 62 CO 0.85 0.00 0.97 0.18 -2.21 0.00 0.00 174.62 174.41 2k8m n LEU 63 N 0.43 1.64 -2.93 9.08 4.77 -1.26 -3.90 117.00 124.82 2k8m n LEU 63 Ca -0.12 -1.94 -0.13 0.00 -0.03 0.00 0.00 56.01 53.78 2k8m n LEU 63 Cb 0.59 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 2k8m n LEU 63 CO 0.16 0.47 0.00 -3.20 -1.33 0.00 0.00 177.39 173.49 2k8m n ASN 64 N -0.66 -2.05 -4.72 -1.43 5.15 -1.26 -2.70 115.26 107.59 2k8m n ASN 64 Ca 0.05 -2.95 -0.42 0.00 -0.60 0.00 0.00 54.58 50.66 2k8m n ASN 64 Cb 0.44 0.96 -0.03 0.00 -0.53 0.00 0.00 39.78 40.62 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 0.25 4.55 -0.44 1.20 0.04 -1.23 -4.90 135.00 134.46 2k8m s PRO 65 Ca 0.32 1.56 0.03 0.00 0.04 0.00 0.00 61.00 62.95 2k8m s PRO 65 Cb 0.13 -3.39 0.13 0.00 0.04 0.00 0.00 34.50 31.41 2k8m s PRO 65 CO -0.16 -0.06 0.21 0.14 0.04 0.00 0.00 177.00 177.17 2k8m s VAL 66 N 0.73 1.83 0.00 -0.36 -7.23 -1.26 -3.25 120.40 110.86 2k8m s VAL 66 Ca 0.53 -2.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 2k8m s VAL 66 Cb -0.25 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.40 2k8m s VAL 66 CO 0.29 -0.81 0.00 0.49 -0.31 0.00 0.00 175.10 174.77 2k8m n PHE 67 N 3.63 0.00 -2.85 2.82 3.01 -1.26 -5.07 117.46 117.74 2k8m n PHE 67 Ca 0.06 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.40 2k8m n PHE 67 Cb 0.35 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.88 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 -1.77 -4.54 -4.77 4.37 5.15 -1.23 -4.99 115.26 107.47 2k8m n ASN 68 Ca 0.00 -0.50 -0.36 0.00 -0.60 0.00 0.00 54.58 53.12 2k8m n ASN 68 Cb 0.28 -3.94 -0.00 0.00 -0.53 0.00 0.00 39.78 35.59 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 -4.27 3.53 -0.23 1.20 8.01 -1.25 -4.82 118.70 120.87 2k8m s GLU 69 Ca 0.25 1.68 -0.06 0.00 0.01 0.00 0.00 54.97 56.86 2k8m s GLU 69 Cb -0.03 -2.18 -0.02 0.00 -4.31 0.00 0.00 34.13 27.59 2k8m s GLU 69 CO 0.54 -0.72 0.02 -1.14 0.01 0.00 0.00 175.26 173.97 2k8m s GLN 70 N -3.03 3.57 -0.22 1.61 0.74 -1.26 -3.52 119.66 117.55 2k8m s GLN 70 Ca 0.69 -0.53 -0.07 0.00 0.05 0.00 0.00 55.36 55.50 2k8m s GLN 70 Cb -0.26 -3.17 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 2k8m s GLN 70 CO 0.30 -0.13 0.06 0.12 -0.55 0.00 0.00 175.29 175.09 2k8m s PHE 71 N 1.40 3.15 -0.76 1.67 5.36 -0.82 -5.00 117.98 122.98 2k8m s PHE 71 Ca 0.05 -0.19 -0.22 0.00 -0.96 0.00 0.00 56.93 55.60 2k8m s PHE 71 Cb -0.15 -2.16 0.08 0.00 -0.34 0.00 0.00 43.02 40.45 2k8m s PHE 71 CO 0.01 -0.13 1.08 0.99 -1.46 0.00 0.00 175.22 175.71 2k8m s THR 72 N 1.05 4.31 -1.27 0.12 2.01 -1.26 -2.23 115.64 118.36 2k8m s THR 72 Ca 0.04 -0.57 -0.19 0.00 0.31 0.00 0.00 61.69 61.27 2k8m s THR 72 Cb -0.14 -4.76 0.03 0.00 0.01 0.00 0.00 72.50 67.63 2k8m s THR 72 CO 0.03 -1.56 1.79 0.33 -0.69 0.00 0.00 174.62 174.53 2k8m n PHE 73 N 7.75 4.18 -2.07 4.92 7.35 -0.80 -4.90 117.46 133.89 2k8m n PHE 73 Ca 0.06 -2.51 -0.27 0.00 -0.76 0.00 0.00 57.45 53.97 2k8m n PHE 73 Cb 0.47 -2.63 -0.05 0.00 0.35 0.00 0.00 39.48 37.62 2k8m n PHE 73 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2k8m s LYS 74 N 4.76 2.57 -0.28 -4.13 -0.14 -1.26 -2.11 119.74 119.15 2k8m s LYS 74 Ca 0.57 -0.55 -0.19 0.00 -1.36 0.00 0.00 55.97 54.44 2k8m s LYS 74 Cb 0.03 -5.12 0.08 0.00 -1.68 0.00 0.00 37.83 31.14 2k8m s LYS 74 CO 0.09 -3.52 0.70 0.08 -0.76 0.00 0.00 175.35 171.95 2k8m s VAL 75 N 10.21 0.00 0.36 3.17 1.01 -1.21 -4.96 120.40 128.98 2k8m s VAL 75 Ca 0.69 0.00 -0.28 0.00 0.00 0.00 0.00 61.98 62.39 2k8m s VAL 75 Cb -0.05 -1.00 -0.12 0.00 0.00 0.00 0.00 36.38 35.22 2k8m s VAL 75 CO 0.03 0.00 1.37 -2.65 0.00 0.00 0.00 175.10 173.85 2k8m n PRO 76 N 3.72 2.35 0.26 2.72 -0.02 -1.26 -4.09 135.00 138.68 2k8m n PRO 76 Ca -0.18 0.82 0.16 0.00 -2.02 0.00 0.00 63.50 62.29 2k8m n PRO 76 Cb 0.58 -2.48 0.88 0.00 -0.02 0.00 0.00 33.50 32.46 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 2.69 0.00 0.00 6.00 -0.00 -1.95 0.13 116.97 123.84 2k8m h TYR 77 Ca -0.48 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.24 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 0.51 0.00 -0.04 0.77 -0.00 0.00 0.00 178.16 179.40 2k8m h SER 78 N 0.00 0.00 0.00 0.10 0.02 -2.01 -2.53 113.55 109.14 2k8m h SER 78 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2k8m h SER 78 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2k8m h SER 78 CO -0.00 0.04 -0.16 -0.62 -1.14 0.00 0.00 176.83 174.95 2k8m n GLU 79 N -3.15 1.75 0.28 3.45 1.02 0.45 -4.22 120.64 120.22 2k8m n GLU 79 Ca 0.01 -1.36 0.14 0.00 -0.02 0.00 0.00 57.16 55.93 2k8m n GLU 79 Cb 0.34 -1.47 0.82 0.00 -0.02 0.00 0.00 31.44 31.11 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 3.33 0.00 -1.95 -4.62 6.46 -1.31 -1.45 115.31 115.77 2k8m h LEU 80 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2k8m h LEU 80 Cb 0.80 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.73 2k8m h LEU 80 CO 0.00 0.07 -0.02 1.23 -0.62 0.00 0.00 178.44 179.10 2k8m h GLY 81 N 0.54 0.00 -1.57 3.75 0.00 -1.77 -2.89 103.07 101.13 2k8m h GLY 81 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2k8m h GLY 81 CO 0.01 0.00 -0.62 0.61 0.00 0.00 0.00 176.54 176.54 2k8m n GLY 82 N -0.37 3.07 2.82 4.60 0.00 -0.59 -4.45 105.19 110.27 2k8m n GLY 82 Ca -0.01 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.64 1.43 -0.37 1.61 2.47 -0.92 -5.01 119.74 117.29 2k8m s LYS 83 Ca 0.31 -2.04 -0.20 0.00 -1.56 0.00 0.00 55.97 52.49 2k8m s LYS 83 Cb 0.32 -2.68 0.00 0.00 -1.46 0.00 0.00 37.83 34.02 2k8m s LYS 83 CO -0.08 -1.10 0.59 0.99 0.16 0.00 0.00 175.35 175.91 2k8m s THR 84 N 0.41 4.92 -0.03 3.43 2.01 -1.26 -4.40 115.64 120.72 2k8m s THR 84 Ca 0.16 0.40 -0.04 0.00 0.31 0.00 0.00 61.69 62.51 2k8m s THR 84 Cb -0.23 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 2k8m s THR 84 CO -0.04 -0.34 0.18 -1.48 -0.69 0.00 0.00 174.62 172.25 2k8m s LEU 85 N 2.61 4.38 0.09 4.42 0.05 -1.26 -3.36 118.68 125.61 2k8m s LEU 85 Ca 0.22 0.40 0.06 0.00 0.05 0.00 0.00 54.13 54.86 2k8m s LEU 85 Cb -0.15 -2.49 -0.03 0.00 -2.05 0.00 0.00 46.19 41.47 2k8m s LEU 85 CO 0.15 0.30 -0.15 0.68 -0.55 0.00 0.00 176.35 176.77 2k8m s VAL 86 N -1.25 1.28 -0.19 1.48 -7.23 -0.11 -2.62 120.40 111.76 2k8m s VAL 86 Ca 0.24 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.98 2k8m s VAL 86 Cb -0.13 -1.27 0.03 0.00 0.56 0.00 0.00 36.38 35.57 2k8m s VAL 86 CO 0.15 -0.24 -0.18 -0.32 -0.31 0.00 0.00 175.10 174.20 2k8m s MET 87 N -1.98 2.82 -0.09 4.82 1.75 0.53 -0.95 119.30 126.20 2k8m s MET 87 Ca 0.02 -0.86 0.02 0.00 -1.25 0.00 0.00 55.69 53.62 2k8m s MET 87 Cb -0.09 -2.55 -0.02 0.00 2.84 0.00 0.00 34.83 35.01 2k8m s MET 87 CO 0.03 -0.26 -0.13 0.00 -0.65 0.00 0.00 175.02 174.01 2k8m s ALA 88 N 1.29 2.65 -0.26 4.11 0.00 -0.64 -1.42 121.76 127.50 2k8m s ALA 88 Ca 0.03 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 50.91 2k8m s ALA 88 Cb -0.14 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 2k8m s ALA 88 CO -0.12 0.42 0.37 0.54 0.00 0.00 0.00 175.76 176.97 2k8m s VAL 89 N -0.24 5.18 -0.08 0.00 0.11 -0.78 -0.29 120.40 124.31 2k8m s VAL 89 Ca 0.01 0.59 -0.01 0.00 -2.93 0.00 0.00 61.98 59.64 2k8m s VAL 89 Cb -0.13 -3.70 -0.03 0.00 -1.53 0.00 0.00 36.38 30.99 2k8m s VAL 89 CO 0.03 0.18 -0.04 -0.47 -3.33 0.00 0.00 175.10 171.47 2k8m s TYR 90 N 1.90 3.03 0.32 1.54 5.04 0.48 -3.20 117.35 126.46 2k8m s TYR 90 Ca 0.16 0.06 -0.03 0.00 -2.44 0.00 0.00 57.07 54.82 2k8m s TYR 90 Cb -0.15 -1.76 -0.04 0.00 0.35 0.00 0.00 41.96 40.35 2k8m s TYR 90 CO 0.09 0.36 0.56 0.34 -1.34 0.00 0.00 175.55 175.56 2k8m s ASP 91 N -0.74 6.38 -0.37 4.32 2.15 -1.23 0.23 116.67 127.40 2k8m s ASP 91 Ca 0.11 0.63 0.13 0.00 0.43 0.00 0.00 52.55 53.85 2k8m s ASP 91 Cb -0.11 -2.11 0.39 0.00 -0.30 0.00 0.00 42.92 40.78 2k8m s ASP 91 CO 0.02 -0.25 0.83 0.33 -0.17 0.00 0.00 175.17 175.92 2k8m n PHE 92 N -1.32 0.92 0.26 -5.34 7.35 0.74 -4.73 117.46 115.34 2k8m n PHE 92 Ca -0.03 -3.49 0.14 0.00 -0.76 0.00 0.00 57.45 53.31 2k8m n PHE 92 Cb 0.55 -0.40 0.73 0.00 0.35 0.00 0.00 39.48 40.70 2k8m n PHE 92 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 2k8m h ASP 93 N 2.98 0.00 -1.25 -2.13 2.03 -1.88 -3.44 116.42 112.73 2k8m h ASP 93 Ca 0.05 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.13 2k8m h ASP 93 Cb 0.99 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.46 2k8m h ASP 93 CO 0.54 0.00 -0.26 0.54 -1.03 0.00 0.00 179.24 179.03 2k8m n ARG 94 N -2.60 -0.83 0.09 4.15 1.74 -1.26 -4.77 116.66 113.18 2k8m n ARG 94 Ca -0.02 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 2k8m n ARG 94 Cb 0.26 -4.68 0.00 0.00 -1.02 0.00 0.00 32.46 27.02 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 -3.64 -2.67 -1.74 -1.55 7.35 -1.26 -5.13 117.46 108.82 2k8m n PHE 95 Ca -0.12 0.55 -0.30 0.00 -0.76 0.00 0.00 57.45 56.82 2k8m n PHE 95 Cb 0.53 1.55 0.08 0.00 0.35 0.00 0.00 39.48 41.99 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 4.76 -1.27 -2.13 0.01 -1.26 -4.90 113.70 106.37 2k8m s SER 96 Ca 0.00 1.12 -0.17 0.00 1.31 0.00 0.00 55.95 58.21 2k8m s SER 96 Cb 0.00 -1.82 -0.01 0.00 0.21 0.00 0.00 66.02 64.41 2k8m s SER 96 CO 0.00 -1.78 2.07 0.29 0.41 0.00 0.00 173.24 174.23 2k8m n LYS 97 N -3.29 2.55 -1.63 12.44 4.76 -1.26 -4.84 118.16 126.90 2k8m n LYS 97 Ca 0.07 -2.54 -0.48 0.00 -2.87 0.00 0.00 58.31 52.49 2k8m n LYS 97 Cb 0.58 -3.27 -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 7.25 1.79 -3.29 2.13 1.44 -1.26 -4.99 115.22 118.29 2k8m n HIS 98 Ca 0.51 0.52 0.00 0.00 -2.01 0.00 0.00 57.72 56.74 2k8m n HIS 98 Cb 0.41 -2.39 0.00 0.00 0.12 0.00 0.00 29.99 28.13 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 2.39 1.87 -4.59 4.39 -0.08 -1.26 -4.84 116.55 114.43 2k8m n ASP 99 Ca 0.15 -0.35 -0.42 0.00 -1.51 0.00 0.00 54.79 52.66 2k8m n ASP 99 Cb 0.27 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.67 2k8m n ASP 99 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2k8m s ILE 100 N 0.38 4.82 -0.74 5.18 1.01 -1.26 -3.49 121.20 127.10 2k8m s ILE 100 Ca 0.00 0.83 0.26 0.00 0.00 0.00 0.00 60.65 61.74 2k8m s ILE 100 Cb 0.00 -4.13 0.25 0.00 0.01 0.00 0.00 42.46 38.59 2k8m s ILE 100 CO 0.00 -0.33 1.72 2.30 0.00 0.00 0.00 174.94 178.63 2k8m n ILE 101 N 5.63 0.53 0.00 2.92 -0.00 -1.19 -4.56 119.36 122.69 2k8m n ILE 101 Ca 0.01 -0.27 0.00 0.00 -0.00 0.00 0.00 62.75 62.49 2k8m n ILE 101 Cb 0.48 -0.51 0.00 0.00 -0.00 0.00 0.00 39.64 39.61 2k8m n ILE 101 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2k8m n GLY 102 N 1.32 0.63 3.84 3.28 0.00 -1.26 -4.19 105.19 108.82 2k8m n GLY 102 Ca 0.05 -0.99 -0.05 0.00 0.00 0.00 0.00 46.02 45.03 2k8m n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k8m s GLU 103 N -2.00 1.66 0.03 1.61 4.04 -0.12 -1.87 118.70 122.05 2k8m s GLU 103 Ca 0.00 -1.05 -0.23 0.00 0.04 0.00 0.00 54.97 53.73 2k8m s GLU 103 Cb 0.00 0.48 0.05 0.00 0.02 0.00 0.00 34.13 34.68 2k8m s GLU 103 CO 0.00 -0.77 0.53 -0.59 -1.84 0.00 0.00 175.26 172.59 2k8m s PHE 104 N -2.40 -0.45 0.05 4.83 -0.71 -0.50 -3.21 117.98 115.59 2k8m s PHE 104 Ca 0.18 0.56 0.02 0.00 -1.04 0.00 0.00 56.93 56.64 2k8m s PHE 104 Cb -0.04 0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 42.09 2k8m s PHE 104 CO 0.07 -0.63 -0.07 -1.59 -1.34 0.00 0.00 175.22 171.67 2k8m s LYS 105 N -2.22 0.59 -0.13 1.99 0.00 -1.26 -0.35 119.74 118.36 2k8m s LYS 105 Ca -0.06 -0.93 -0.00 0.00 0.00 0.00 0.00 55.97 54.98 2k8m s LYS 105 Cb -0.01 -0.19 0.02 0.00 0.00 0.00 0.00 37.83 37.66 2k8m s LYS 105 CO 0.00 0.01 -0.10 0.54 0.00 0.00 0.00 175.35 175.80 2k8m s VAL 106 N -2.16 1.22 -0.78 1.79 0.11 -1.08 -5.03 120.40 114.47 2k8m s VAL 106 Ca -0.04 -0.41 -0.26 0.00 -2.93 0.00 0.00 61.98 58.35 2k8m s VAL 106 Cb -0.05 -1.20 -0.00 0.00 -1.53 0.00 0.00 36.38 33.60 2k8m s VAL 106 CO -0.02 0.40 1.68 -2.16 -3.33 0.00 0.00 175.10 171.67 2k8m s PRO 107 N 1.63 2.90 0.56 1.54 0.04 -1.26 -3.99 135.00 136.40 2k8m s PRO 107 Ca 0.05 -0.10 0.23 0.00 0.04 0.00 0.00 61.00 61.22 2k8m s PRO 107 Cb -0.13 -4.68 1.53 0.00 0.04 0.00 0.00 34.50 31.27 2k8m s PRO 107 CO -0.09 -2.68 2.17 0.52 0.04 0.00 0.00 177.00 176.96 2k8m h MET 108 N 12.05 0.00 0.00 4.56 2.86 -1.79 0.45 114.93 133.06 2k8m h MET 108 Ca -0.10 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2k8m h MET 108 Cb 1.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 2k8m h MET 108 CO 1.27 0.00 -0.13 -0.97 1.06 0.00 0.00 176.91 178.14 2k8m h ASN 109 N 0.00 0.00 -0.59 1.22 -1.24 -1.77 -1.77 115.58 111.43 2k8m h ASN 109 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 2k8m h ASN 109 Cb 0.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.19 2k8m h ASN 109 CO -0.00 0.13 0.00 0.41 -1.29 0.00 0.00 177.43 176.68 2k8m n THR 110 N -3.42 1.38 -4.16 -3.57 -1.04 0.13 -4.88 114.28 98.73 2k8m n THR 110 Ca -0.01 -1.13 -0.28 0.00 -2.04 0.00 0.00 64.05 60.59 2k8m n THR 110 Cb 0.31 0.32 -0.17 0.00 -1.82 0.00 0.00 70.33 68.97 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 -1.42 1.36 -0.03 12.58 1.01 -0.67 -5.03 120.40 128.21 2k8m s VAL 111 Ca 0.44 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.68 2k8m s VAL 111 Cb 0.26 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 2k8m s VAL 111 CO 0.25 0.42 0.61 1.51 0.00 0.00 0.00 175.10 177.89 2k8m s ASP 112 N 1.34 6.95 -1.36 3.32 -4.77 -1.26 -4.87 116.67 116.02 2k8m s ASP 112 Ca 0.00 1.14 -0.07 0.00 -3.30 0.00 0.00 52.55 50.31 2k8m s ASP 112 Cb -0.14 -2.37 0.10 0.00 -1.09 0.00 0.00 42.92 39.43 2k8m s ASP 112 CO -0.06 0.03 2.33 2.22 0.70 0.00 0.00 175.17 180.39 2k8m n PHE 113 N 3.12 2.69 0.01 2.11 -1.74 -1.26 -4.61 117.46 117.78 2k8m n PHE 113 Ca -0.05 -2.85 -0.18 0.00 -0.56 0.00 0.00 57.45 53.80 2k8m n PHE 113 Cb 0.51 -1.98 -0.11 0.00 1.52 0.00 0.00 39.48 39.43 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 6.50 0.53 0.00 4.97 0.00 -2.00 -3.48 103.07 109.58 2k8m h GLY 114 Ca 0.64 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2k8m h GLY 114 CO 1.57 0.83 0.00 1.42 0.00 0.00 0.00 176.54 180.36 2k8m n HIS 115 N -4.13 0.00 -4.06 5.60 8.25 -1.26 -5.09 115.22 114.53 2k8m n HIS 115 Ca -0.11 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.23 2k8m n HIS 115 Cb 0.72 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.71 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 0.40 -0.60 1.59 -7.23 -1.26 -3.75 120.40 109.56 2k8m s VAL 116 Ca 0.00 -0.81 -0.07 0.00 -1.81 0.00 0.00 61.98 59.29 2k8m s VAL 116 Cb 0.00 -0.46 0.15 0.00 0.56 0.00 0.00 36.38 36.64 2k8m s VAL 116 CO 0.00 -0.28 0.46 -0.89 -0.31 0.00 0.00 175.10 174.08 2k8m s THR 117 N -1.05 4.25 -0.26 5.32 2.01 0.14 -4.92 115.64 121.14 2k8m s THR 117 Ca -0.08 -2.38 -0.05 0.00 0.31 0.00 0.00 61.69 59.50 2k8m s THR 117 Cb -0.08 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.69 2k8m s THR 117 CO 0.00 -0.86 0.01 -1.61 -0.69 0.00 0.00 174.62 171.47 2k8m s GLU 118 N 0.58 3.15 0.21 4.92 2.02 -1.26 -1.02 118.70 127.29 2k8m s GLU 118 Ca 0.12 -0.80 -0.19 0.00 0.02 0.00 0.00 54.97 54.13 2k8m s GLU 118 Cb -0.21 -3.17 0.03 0.00 0.10 0.00 0.00 34.13 30.88 2k8m s GLU 118 CO -0.04 -0.35 0.56 -1.83 0.02 0.00 0.00 175.26 173.63 2k8m s GLU 119 N 1.46 1.44 -0.85 1.61 -1.05 -1.17 -5.05 118.70 115.10 2k8m s GLU 119 Ca 0.03 -0.85 -0.12 0.00 -0.15 0.00 0.00 54.97 53.87 2k8m s GLU 119 Cb -0.16 0.54 0.22 0.00 -0.44 0.00 0.00 34.13 34.29 2k8m s GLU 119 CO -0.01 -0.62 0.78 -1.58 0.95 0.00 0.00 175.26 174.78 2k8m s TRP 120 N -3.87 3.80 0.04 4.83 0.52 -1.26 -3.24 118.94 119.76 2k8m s TRP 120 Ca 0.09 -2.15 -0.30 0.00 0.02 0.00 0.00 56.10 53.75 2k8m s TRP 120 Cb -0.02 -3.76 -0.05 0.00 -1.15 0.00 0.00 33.47 28.49 2k8m s TRP 120 CO -0.02 -0.97 1.17 0.50 0.02 0.00 0.00 176.95 177.65 2k8m s ARG 121 N -0.06 4.44 0.04 4.98 6.06 -0.50 -4.85 118.95 129.07 2k8m s ARG 121 Ca 0.20 1.71 -0.30 0.00 -2.50 0.00 0.00 55.73 54.84 2k8m s ARG 121 Cb -0.11 -3.38 -0.04 0.00 0.06 0.00 0.00 34.95 31.48 2k8m s ARG 121 CO -0.08 -0.25 1.02 0.16 -2.50 0.00 0.00 175.30 173.65 2k8m s ASP 122 N 1.09 7.34 0.24 -2.12 -4.77 -1.26 -0.45 116.67 116.75 2k8m s ASP 122 Ca 0.58 1.77 -0.11 0.00 -3.30 0.00 0.00 52.55 51.48 2k8m s ASP 122 Cb -0.28 -2.58 -0.08 0.00 -1.09 0.00 0.00 42.92 38.90 2k8m s ASP 122 CO 0.28 -0.26 0.58 -0.76 0.70 0.00 0.00 175.17 175.71 2k8m s LEU 123 N 0.78 4.15 -0.01 2.11 1.43 0.70 -4.91 118.68 122.93 2k8m s LEU 123 Ca 0.52 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 54.63 2k8m s LEU 123 Cb -0.23 -3.74 -0.00 0.00 0.03 0.00 0.00 46.19 42.24 2k8m s LEU 123 CO 0.29 -0.09 -0.07 0.00 0.23 0.00 0.00 176.35 176.70 2k8m s GLN 124 N -2.82 0.63 -1.31 1.70 -2.07 -1.20 -2.57 119.66 112.03 2k8m s GLN 124 Ca 0.48 -0.26 -0.17 0.00 -1.82 0.00 0.00 55.36 53.59 2k8m s GLN 124 Cb -0.11 -0.61 0.02 0.00 -1.09 0.00 0.00 33.01 31.22 2k8m s GLN 124 CO 0.20 0.14 1.98 0.43 -1.32 0.00 0.00 175.29 176.73 2k8m n SER 125 N 2.98 4.08 -4.52 12.60 7.64 -1.26 -0.94 113.62 134.20 2k8m n SER 125 Ca -0.14 -2.84 -0.42 0.00 1.01 0.00 0.00 58.87 56.48 2k8m n SER 125 Cb 0.57 -1.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.09 2k8m n SER 125 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8m s ALA 126 N 4.43 2.91 0.41 -0.43 0.00 -1.26 -4.83 121.76 122.99 2k8m s ALA 126 Ca 0.53 -2.18 -0.27 0.00 0.00 0.00 0.00 51.96 50.04 2k8m s ALA 126 Cb 0.09 -4.31 -0.10 0.00 0.00 0.00 0.00 23.12 18.80 2k8m s ALA 126 CO 0.02 -3.33 1.47 -1.21 0.00 0.00 0.00 175.76 172.70 2k8m s GLU 127 N 4.50 3.92 0.00 0.00 2.02 -1.26 -4.58 118.70 123.30 2k8m s GLU 127 Ca 0.39 2.52 0.00 0.00 0.02 0.00 0.00 54.97 57.90 2k8m s GLU 127 Cb -0.04 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.35 2k8m s GLU 127 CO -0.04 -0.66 0.28 1.63 0.02 0.00 0.00 175.26 176.49