#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 1.15 0.00 3.49 -2.85 -1.26 -4.42 119.74 115.85 2k8m s LYS 2 Ca 0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 55.97 54.59 2k8m s LYS 2 Cb 0.00 -1.06 0.00 0.00 -2.06 0.00 0.00 37.83 34.71 2k8m s LYS 2 CO 0.00 0.15 0.15 -0.11 0.10 0.00 0.00 175.35 175.65 2k8m n LEU 3 N 3.22 0.00 0.00 2.77 7.94 -0.96 -4.19 117.00 125.78 2k8m n LEU 3 Ca -0.18 -0.25 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 0.25 0.28 0.00 0.61 -1.11 0.00 0.00 177.39 177.42 2k8m n GLY 4 N 0.00 0.14 3.05 -3.96 0.00 -1.25 -4.20 105.19 98.97 2k8m n GLY 4 Ca 0.00 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 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 0.49 -0.12 1.61 1.02 -1.17 -0.16 119.74 121.42 2k8m s LYS 5 Ca 0.00 -0.75 0.03 0.00 0.02 0.00 0.00 55.97 55.27 2k8m s LYS 5 Cb 0.00 -0.19 0.01 0.00 -0.52 0.00 0.00 37.83 37.13 2k8m s LYS 5 CO 0.00 0.02 -0.22 -1.17 -0.92 0.00 0.00 175.35 173.07 2k8m s LEU 6 N -1.62 2.04 -0.23 3.17 0.20 0.97 -1.85 118.68 121.35 2k8m s LEU 6 Ca -0.10 -0.55 -0.13 0.00 0.69 0.00 0.00 54.13 54.03 2k8m s LEU 6 Cb -0.09 -1.37 -0.04 0.00 -0.43 0.00 0.00 46.19 44.26 2k8m s LEU 6 CO -0.00 0.10 0.29 -1.10 -0.29 0.00 0.00 176.35 175.35 2k8m s GLN 7 N 0.64 4.09 0.27 1.98 -1.52 0.06 -2.12 119.66 123.06 2k8m s GLN 7 Ca -0.12 -0.04 -0.10 0.00 -1.95 0.00 0.00 55.36 53.15 2k8m s GLN 7 Cb -0.16 -3.57 -0.00 0.00 -0.22 0.00 0.00 33.01 29.06 2k8m s GLN 7 CO 0.03 -0.06 0.48 1.52 -0.25 0.00 0.00 175.29 177.01 2k8m s TYR 8 N 1.39 0.55 -0.05 0.91 1.13 -1.16 -0.27 117.35 119.84 2k8m s TYR 8 Ca 0.13 -0.89 -0.02 0.00 -1.41 0.00 0.00 57.07 54.88 2k8m s TYR 8 Cb -0.15 0.13 0.04 0.00 -1.10 0.00 0.00 41.96 40.88 2k8m s TYR 8 CO 0.07 -1.04 0.10 -1.12 -2.51 0.00 0.00 175.55 171.06 2k8m s SER 9 N -3.08 0.15 -0.29 -0.18 0.01 0.04 -2.97 113.70 107.38 2k8m s SER 9 Ca 0.25 0.21 -0.09 0.00 1.31 0.00 0.00 55.95 57.62 2k8m s SER 9 Cb -0.00 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.30 2k8m s SER 9 CO 0.12 -0.16 0.14 -0.76 0.41 0.00 0.00 173.24 172.98 2k8m s LEU 10 N 1.36 3.96 0.01 2.44 1.43 0.24 -2.12 118.68 126.01 2k8m s LEU 10 Ca -0.07 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 2k8m s LEU 10 Cb -0.12 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 2k8m s LEU 10 CO -0.05 -0.15 -0.10 -0.62 0.23 0.00 0.00 176.35 175.66 2k8m s ASP 11 N 1.63 4.36 -0.12 2.29 2.15 -0.84 -1.31 116.67 124.82 2k8m s ASP 11 Ca 0.05 -0.23 -0.03 0.00 0.43 0.00 0.00 52.55 52.77 2k8m s ASP 11 Cb -0.17 -0.93 -0.03 0.00 -0.30 0.00 0.00 42.92 41.49 2k8m s ASP 11 CO 0.06 0.28 -0.02 -0.72 -0.17 0.00 0.00 175.17 174.60 2k8m s TYR 12 N -0.97 3.08 -0.12 -5.34 1.13 -1.26 0.50 117.35 114.38 2k8m s TYR 12 Ca 0.16 -0.05 0.01 0.00 -1.41 0.00 0.00 57.07 55.78 2k8m s TYR 12 Cb -0.11 -1.88 -0.01 0.00 -1.10 0.00 0.00 41.96 38.86 2k8m s TYR 12 CO 0.07 0.20 -0.17 0.34 -2.51 0.00 0.00 175.55 173.48 2k8m s ASP 13 N -0.21 3.69 0.00 -0.18 -1.08 0.24 -4.92 116.67 114.20 2k8m s ASP 13 Ca 0.05 -0.41 0.15 0.00 -0.52 0.00 0.00 52.55 51.82 2k8m s ASP 13 Cb -0.13 -1.52 -0.00 0.00 -1.46 0.00 0.00 42.92 39.81 2k8m s ASP 13 CO 0.02 0.17 0.83 2.22 0.52 0.00 0.00 175.17 178.93 2k8m n PHE 14 N 3.49 0.00 0.08 -5.34 1.16 -1.26 -1.10 117.46 114.50 2k8m n PHE 14 Ca -0.18 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.32 2k8m n PHE 14 Cb 0.53 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.35 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 1.72 0.08 -0.00 3.97 3.07 -1.94 -3.30 115.11 118.71 2k8m h GLN 15 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 58.65 58.63 2k8m h GLN 15 Cb 0.52 0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.12 2k8m h GLN 15 CO 0.00 0.95 -0.10 0.27 0.09 0.00 0.00 178.83 180.04 2k8m n ASN 16 N -3.52 0.35 -2.84 0.06 0.23 -1.26 -5.05 115.26 103.23 2k8m n ASN 16 Ca -0.02 -0.68 -0.00 0.00 -0.53 0.00 0.00 54.58 53.35 2k8m n ASN 16 Cb 0.87 0.80 0.00 0.00 -2.08 0.00 0.00 39.78 39.37 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 -0.82 -6.99 -3.72 0.53 2.85 -1.08 -4.95 115.26 101.08 2k8m n ASN 17 Ca 0.01 -0.06 -0.04 0.00 -0.11 0.00 0.00 54.58 54.37 2k8m n ASN 17 Cb 0.05 -4.71 -0.01 0.00 1.24 0.00 0.00 39.78 36.34 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 -3.00 1.37 -0.14 1.20 1.03 -0.25 -3.31 119.66 116.56 2k8m s GLN 18 Ca 0.00 -0.77 -0.06 0.00 0.04 0.00 0.00 55.36 54.56 2k8m s GLN 18 Cb -0.00 0.46 -0.04 0.00 0.03 0.00 0.00 33.01 33.46 2k8m s GLN 18 CO 0.64 -0.63 0.09 -0.51 -2.54 0.00 0.00 175.29 172.35 2k8m s LEU 19 N -2.97 4.08 -0.62 2.60 1.43 -0.54 -0.59 118.68 122.06 2k8m s LEU 19 Ca 0.13 0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 53.34 2k8m s LEU 19 Cb -0.03 -2.00 0.12 0.00 0.03 0.00 0.00 46.19 44.32 2k8m s LEU 19 CO 0.04 0.32 0.68 -0.22 0.23 0.00 0.00 176.35 177.40 2k8m s LEU 20 N -0.52 5.75 -0.48 1.79 1.98 0.18 -1.82 118.68 125.55 2k8m s LEU 20 Ca 0.11 -1.70 -0.24 0.00 -2.89 0.00 0.00 54.13 49.42 2k8m s LEU 20 Cb -0.12 -2.27 0.03 0.00 0.66 0.00 0.00 46.19 44.49 2k8m s LEU 20 CO 0.02 -0.98 0.84 -0.69 -1.89 0.00 0.00 176.35 173.65 2k8m s VAL 21 N 2.12 4.56 -0.35 1.68 1.01 -0.94 -1.99 120.40 126.49 2k8m s VAL 21 Ca 0.11 0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 2k8m s VAL 21 Cb -0.23 -4.40 0.07 0.00 0.00 0.00 0.00 36.38 31.82 2k8m s VAL 21 CO 0.03 -0.85 0.10 -0.83 0.00 0.00 0.00 175.10 173.56 2k8m s GLY 22 N 2.37 1.86 -0.28 4.51 0.00 -0.90 -1.10 107.32 113.78 2k8m s GLY 22 Ca 0.30 -2.05 -0.14 0.00 0.00 0.00 0.00 44.72 42.83 2k8m s GLY 22 CO 0.22 0.84 0.35 -0.26 0.00 0.00 0.00 173.10 174.24 2k8m s ILE 23 N 1.25 5.19 -0.01 0.90 -0.00 -1.26 -0.78 121.20 126.49 2k8m s ILE 23 Ca 0.01 0.48 -0.07 0.00 -0.00 0.00 0.00 60.65 61.07 2k8m s ILE 23 Cb -0.21 -3.68 -0.04 0.00 -0.00 0.00 0.00 42.46 38.53 2k8m s ILE 23 CO -0.01 0.15 0.53 0.40 -0.00 0.00 0.00 174.94 176.01 2k8m h ILE 24 N 5.40 0.00 -2.49 8.37 2.04 -0.99 -3.20 117.51 126.64 2k8m h ILE 24 Ca -0.32 -0.24 0.15 0.00 1.00 0.00 0.00 64.86 65.45 2k8m h ILE 24 Cb 1.16 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 2k8m h ILE 24 CO 0.63 0.00 0.48 0.00 0.00 0.00 0.00 178.15 179.27 2k8m s GLN 25 N -2.54 1.36 0.04 2.37 1.03 -1.10 -3.09 119.66 117.73 2k8m s GLN 25 Ca -0.04 -0.80 0.03 0.00 0.04 0.00 0.00 55.36 54.59 2k8m s GLN 25 Cb 0.00 0.43 -0.02 0.00 0.03 0.00 0.00 33.01 33.45 2k8m s GLN 25 CO 0.11 -0.63 -0.09 0.00 -2.54 0.00 0.00 175.29 172.14 2k8m s ALA 26 N -2.91 0.70 0.18 2.60 0.00 -1.24 -0.76 121.76 120.33 2k8m s ALA 26 Ca 0.15 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.43 2k8m s ALA 26 Cb -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 2k8m s ALA 26 CO 0.04 0.06 0.01 0.00 0.00 0.00 0.00 175.76 175.87 2k8m s ALA 27 N -1.07 1.42 -1.24 0.00 0.00 -0.77 -3.86 121.76 116.25 2k8m s ALA 27 Ca -0.05 -1.63 -0.05 0.00 0.00 0.00 0.00 51.96 50.24 2k8m s ALA 27 Cb -0.08 0.58 0.01 0.00 0.00 0.00 0.00 23.12 23.62 2k8m s ALA 27 CO 0.01 -0.32 0.60 0.39 0.00 0.00 0.00 175.76 176.43 2k8m n GLU 28 N -0.27 -4.54 -2.69 0.00 -0.58 -1.25 -3.02 120.64 108.29 2k8m n GLU 28 Ca -0.06 0.73 -0.43 0.00 -0.42 0.00 0.00 57.16 56.99 2k8m n GLU 28 Cb 0.63 -5.25 -0.02 0.00 -0.57 0.00 0.00 31.44 26.23 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 -5.65 4.17 0.70 -4.62 1.43 -1.24 -3.81 118.68 109.65 2k8m s LEU 29 Ca 0.30 1.43 -0.16 0.00 -1.03 0.00 0.00 54.13 54.66 2k8m s LEU 29 Cb -0.13 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2k8m s LEU 29 CO 0.37 -0.55 1.04 -2.65 0.23 0.00 0.00 176.35 174.79 2k8m n PRO 30 N 5.64 0.65 -3.00 1.29 -0.02 -1.26 -4.86 135.00 133.44 2k8m n PRO 30 Ca 0.10 0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 61.46 2k8m n PRO 30 Cb 0.47 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 2k8m n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k8m s ALA 31 N -1.71 3.36 0.01 3.55 0.00 -1.26 -4.77 121.76 120.93 2k8m s ALA 31 Ca 0.76 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.94 2k8m s ALA 31 Cb -0.36 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 2k8m s ALA 31 CO 0.48 0.04 -0.06 -0.11 0.00 0.00 0.00 175.76 176.11 2k8m n LEU 32 N 2.97 0.74 -4.69 0.00 -0.00 -1.26 -4.97 117.00 109.79 2k8m n LEU 32 Ca -0.02 0.11 -0.36 0.00 -0.00 0.00 0.00 56.01 55.73 2k8m n LEU 32 Cb 0.50 -0.32 0.08 0.00 -0.00 0.00 0.00 43.42 43.69 2k8m n LEU 32 CO 0.47 -0.56 0.78 -0.67 -0.00 0.00 0.00 177.39 177.41 2k8m n ASP 33 N -3.20 1.50 -4.59 1.96 2.03 -1.26 -4.88 116.55 108.11 2k8m n ASP 33 Ca -0.02 0.76 -0.42 0.00 0.52 0.00 0.00 54.79 55.63 2k8m n ASP 33 Cb 0.08 -1.50 -0.03 0.00 -0.72 0.00 0.00 41.12 38.95 2k8m n ASP 33 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2k8m s MET 34 N -3.40 3.31 0.00 -0.67 -2.45 -1.26 -2.96 119.30 111.88 2k8m s MET 34 Ca 0.79 1.22 0.00 0.00 -1.25 0.00 0.00 55.69 56.45 2k8m s MET 34 Cb -0.37 -4.18 0.00 0.00 1.25 0.00 0.00 34.83 31.53 2k8m s MET 34 CO 0.44 -1.89 0.00 0.41 1.05 0.00 0.00 175.02 175.03 2k8m n GLY 35 N 5.38 0.59 0.64 2.11 0.00 -1.26 -4.85 105.19 107.79 2k8m n GLY 35 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.77 2.63 -0.02 0.00 -1.15 -5.03 105.19 102.38 2k8m n GLY 36 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.22 0.29 0.94 2.61 -4.23 -1.26 -4.78 115.64 106.99 2k8m s THR 37 Ca 0.00 -0.90 -0.15 0.00 -1.18 0.00 0.00 61.69 59.46 2k8m s THR 37 Cb 0.00 -1.17 0.17 0.00 1.34 0.00 0.00 72.50 72.84 2k8m s THR 37 CO 0.00 -0.63 1.27 -0.44 -0.54 0.00 0.00 174.62 174.28 2k8m s SER 38 N 1.92 3.33 -0.72 3.99 0.01 -1.26 -4.44 113.70 116.53 2k8m s SER 38 Ca 0.08 0.44 0.04 0.00 1.31 0.00 0.00 55.95 57.82 2k8m s SER 38 Cb -0.16 -0.62 0.23 0.00 0.21 0.00 0.00 66.02 65.67 2k8m s SER 38 CO -0.28 -2.62 0.74 0.47 0.41 0.00 0.00 173.24 171.97 2k8m n ASP 39 N -3.72 3.83 -4.71 2.44 9.92 -1.26 -1.70 116.55 121.35 2k8m n ASP 39 Ca 0.13 -3.36 -0.39 0.00 -0.53 0.00 0.00 54.79 50.65 2k8m n ASP 39 Cb 0.60 -0.78 -0.06 0.00 -0.64 0.00 0.00 41.12 40.25 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 -2.14 4.34 -0.00 -0.24 0.04 -1.21 -0.56 135.00 135.23 2k8m s PRO 40 Ca 0.34 0.62 0.04 0.00 0.04 0.00 0.00 61.00 62.03 2k8m s PRO 40 Cb 0.07 -3.47 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 2k8m s PRO 40 CO -0.06 0.05 -0.12 1.52 0.04 0.00 0.00 177.00 178.43 2k8m s TYR 41 N 0.93 1.11 -0.08 0.56 1.13 0.13 -4.14 117.35 116.99 2k8m s TYR 41 Ca 0.30 -0.23 -0.20 0.00 -1.41 0.00 0.00 57.07 55.53 2k8m s TYR 41 Cb -0.16 -0.70 -0.04 0.00 -1.10 0.00 0.00 41.96 39.95 2k8m s TYR 41 CO 0.13 -0.01 0.57 0.14 -2.51 0.00 0.00 175.55 173.87 2k8m s VAL 42 N -0.39 5.08 -0.04 -3.49 -7.23 -1.26 -0.02 120.40 113.06 2k8m s VAL 42 Ca 0.04 1.17 0.05 0.00 -1.81 0.00 0.00 61.98 61.43 2k8m s VAL 42 Cb -0.05 -3.91 -0.01 0.00 0.56 0.00 0.00 36.38 32.97 2k8m s VAL 42 CO -0.00 0.32 -0.20 -1.59 -0.31 0.00 0.00 175.10 173.32 2k8m s LYS 43 N 0.49 1.99 0.10 4.82 -2.85 0.90 -3.56 119.74 121.63 2k8m s LYS 43 Ca 0.31 -0.73 -0.30 0.00 -1.00 0.00 0.00 55.97 54.25 2k8m s LYS 43 Cb -0.17 -1.75 -0.06 0.00 -2.06 0.00 0.00 37.83 33.80 2k8m s LYS 43 CO 0.14 0.33 1.00 0.14 0.10 0.00 0.00 175.35 177.07 2k8m s VAL 44 N -0.14 4.44 -0.27 1.79 -7.23 -1.23 -1.24 120.40 116.52 2k8m s VAL 44 Ca -0.01 1.96 0.02 0.00 -1.81 0.00 0.00 61.98 62.14 2k8m s VAL 44 Cb -0.11 -4.25 0.07 0.00 0.56 0.00 0.00 36.38 32.64 2k8m s VAL 44 CO 0.02 0.27 -0.05 -0.36 -0.31 0.00 0.00 175.10 174.67 2k8m s PHE 45 N 0.22 2.92 0.60 2.82 0.08 0.29 -4.63 117.98 120.28 2k8m s PHE 45 Ca 0.49 -2.19 -0.02 0.00 0.12 0.00 0.00 56.93 55.34 2k8m s PHE 45 Cb -0.24 -1.95 0.04 0.00 -0.57 0.00 0.00 43.02 40.30 2k8m s PHE 45 CO 0.30 -0.85 0.86 -0.51 -0.10 0.00 0.00 175.22 174.92 2k8m s LEU 46 N 1.21 3.14 0.00 -0.37 2.01 -1.26 -1.65 118.68 121.75 2k8m s LEU 46 Ca -0.03 0.20 0.00 0.00 0.01 0.00 0.00 54.13 54.31 2k8m s LEU 46 Cb -0.19 -3.00 0.00 0.00 0.01 0.00 0.00 46.19 43.01 2k8m s LEU 46 CO -0.07 -1.27 0.00 0.00 1.01 0.00 0.00 176.35 176.02 2k8m n LEU 47 N -2.54 0.00 0.20 1.79 -0.00 -1.18 -4.74 117.00 110.54 2k8m n LEU 47 Ca 0.07 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.11 2k8m n LEU 47 Cb 0.60 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 44.13 2k8m n LEU 47 CO 0.48 -0.41 0.82 -0.65 -0.00 0.00 0.00 177.39 177.63 2k8m h PRO 48 N 0.00 0.00 0.17 1.47 0.11 -1.98 -2.18 132.00 129.60 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 -0.51 0.22 -0.21 0.00 0.00 178.00 177.50 2k8m h ASP 49 N 0.00 -1.51 -1.87 -2.05 3.58 -1.94 -3.45 116.42 109.17 2k8m h ASP 49 Ca 0.00 0.16 -0.26 0.00 0.42 0.00 0.00 57.03 57.35 2k8m h ASP 49 Cb 1.37 0.55 -0.09 0.00 1.72 0.00 0.00 39.33 42.89 2k8m h ASP 49 CO 0.00 -0.57 -0.26 0.29 -2.88 0.00 0.00 179.24 175.83 2k8m n LYS 50 N -5.50 -1.46 -1.18 0.28 4.76 -0.82 -4.83 118.16 109.41 2k8m n LYS 50 Ca -0.09 0.73 -0.29 0.00 -2.87 0.00 0.00 58.31 55.79 2k8m n LYS 50 Cb 0.42 -5.04 0.07 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 -2.04 2.39 -3.65 1.97 5.02 -1.26 -4.85 118.16 115.73 2k8m n LYS 51 Ca -0.13 -2.70 -0.03 0.00 -2.02 0.00 0.00 58.31 53.43 2k8m n LYS 51 Cb 0.46 -2.06 -0.07 0.00 -0.02 0.00 0.00 35.03 33.34 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 -3.14 0.08 -0.18 1.97 -2.85 -1.26 -4.86 119.74 109.49 2k8m s LYS 52 Ca 0.53 0.10 -0.10 0.00 -1.00 0.00 0.00 55.97 55.50 2k8m s LYS 52 Cb 0.42 0.04 0.06 0.00 -2.06 0.00 0.00 37.83 36.29 2k8m s LYS 52 CO -0.01 -0.01 0.44 0.21 0.10 0.00 0.00 175.35 176.08 2k8m s LYS 53 N 0.05 0.41 -0.04 1.78 2.20 -1.26 -4.79 119.74 118.10 2k8m s LYS 53 Ca 0.07 0.86 0.01 0.00 -0.36 0.00 0.00 55.97 56.55 2k8m s LYS 53 Cb -0.05 0.03 0.02 0.00 -1.51 0.00 0.00 37.83 36.32 2k8m s LYS 53 CO -0.15 -0.17 -0.05 0.12 -0.36 0.00 0.00 175.35 174.74 2k8m s PHE 54 N 1.55 0.77 -0.30 4.03 5.36 -1.26 -5.06 117.98 123.07 2k8m s PHE 54 Ca -0.09 -0.21 -0.02 0.00 -0.96 0.00 0.00 56.93 55.65 2k8m s PHE 54 Cb -0.08 -0.66 0.05 0.00 -0.34 0.00 0.00 43.02 41.99 2k8m s PHE 54 CO -0.13 -0.17 0.00 -2.00 -1.46 0.00 0.00 175.22 171.45 2k8m s GLU 55 N 0.78 2.42 0.94 10.12 2.12 -1.26 -3.56 118.70 130.26 2k8m s GLU 55 Ca -0.11 -1.27 -0.12 0.00 0.36 0.00 0.00 54.97 53.83 2k8m s GLU 55 Cb -0.14 -3.18 0.15 0.00 0.26 0.00 0.00 34.13 31.22 2k8m s GLU 55 CO 0.00 -0.62 1.12 0.95 -0.54 0.00 0.00 175.26 176.17 2k8m s THR 56 N 1.25 2.08 0.25 -1.70 -4.23 -1.23 -4.98 115.64 107.08 2k8m s THR 56 Ca -0.05 0.03 -0.30 0.00 -1.18 0.00 0.00 61.69 60.18 2k8m s THR 56 Cb -0.20 -2.69 -0.10 0.00 1.34 0.00 0.00 72.50 70.85 2k8m s THR 56 CO -0.01 -0.03 1.46 -0.75 -0.54 0.00 0.00 174.62 174.74 2k8m s LYS 57 N -5.17 4.25 -0.49 3.99 2.36 -1.26 -4.90 119.74 118.53 2k8m s LYS 57 Ca 0.64 2.32 -0.27 0.00 -2.55 0.00 0.00 55.97 56.11 2k8m s LYS 57 Cb -0.16 -3.11 -0.03 0.00 -1.05 0.00 0.00 37.83 33.48 2k8m s LYS 57 CO 0.55 -0.45 1.95 0.54 1.55 0.00 0.00 175.35 179.49 2k8m s VAL 58 N 0.05 3.32 -1.10 4.02 0.11 -1.26 -4.76 120.40 120.79 2k8m s VAL 58 Ca 0.60 0.25 -0.19 0.00 -2.93 0.00 0.00 61.98 59.71 2k8m s VAL 58 Cb -0.42 -3.66 0.10 0.00 -1.53 0.00 0.00 36.38 30.86 2k8m s VAL 58 CO 0.43 -0.58 1.43 -1.00 -3.33 0.00 0.00 175.10 172.05 2k8m s HIS 59 N 8.93 2.93 0.18 1.54 0.09 -1.26 -4.99 115.29 122.71 2k8m s HIS 59 Ca 0.77 -1.42 -0.30 0.00 -0.00 0.00 0.00 55.06 54.11 2k8m s HIS 59 Cb -0.17 -4.53 -0.08 0.00 -0.00 0.00 0.00 32.58 27.81 2k8m s HIS 59 CO 0.26 -1.68 1.17 -0.98 -0.00 0.00 0.00 174.74 173.51 2k8m s ARG 60 N 3.53 4.52 -0.54 1.40 1.04 -1.26 -3.35 118.95 124.28 2k8m s ARG 60 Ca 0.44 1.82 -0.14 0.00 -1.04 0.00 0.00 55.73 56.81 2k8m s ARG 60 Cb -0.01 -3.26 0.02 0.00 -2.04 0.00 0.00 34.95 29.66 2k8m s ARG 60 CO -0.04 -0.05 0.64 1.63 -0.04 0.00 0.00 175.30 177.44 2k8m n LYS 61 N 2.54 -1.99 -3.62 3.89 4.76 -0.98 -4.97 118.16 117.81 2k8m n LYS 61 Ca 0.04 1.76 -0.08 0.00 -2.87 0.00 0.00 58.31 57.16 2k8m n LYS 61 Cb 0.45 -4.92 -0.06 0.00 -1.84 0.00 0.00 35.03 28.66 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 -2.57 0.00 -0.17 -0.18 -1.32 -0.69 -4.96 115.64 105.76 2k8m s THR 62 Ca 0.19 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.70 2k8m s THR 62 Cb -0.04 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.02 2k8m s THR 62 CO 0.79 0.00 1.06 0.18 -2.21 0.00 0.00 174.62 174.44 2k8m n LEU 63 N 1.43 2.20 -2.89 9.08 4.77 -1.26 -4.35 117.00 125.98 2k8m n LEU 63 Ca -0.10 -2.07 -0.11 0.00 -0.03 0.00 0.00 56.01 53.69 2k8m n LEU 63 Cb 0.57 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.59 2k8m n LEU 63 CO 0.08 0.55 0.05 -3.20 -1.33 0.00 0.00 177.39 173.54 2k8m n ASN 64 N -0.38 -2.32 -4.68 -1.43 5.15 -1.26 -3.71 115.26 106.63 2k8m n ASN 64 Ca 0.03 -3.01 -0.43 0.00 -0.60 0.00 0.00 54.58 50.57 2k8m n ASN 64 Cb 0.31 1.18 -0.02 0.00 -0.53 0.00 0.00 39.78 40.72 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 0.37 4.35 -0.44 1.20 0.04 -1.25 -4.94 135.00 134.33 2k8m s PRO 65 Ca 0.32 1.41 -0.00 0.00 0.04 0.00 0.00 61.00 62.77 2k8m s PRO 65 Cb 0.14 -3.59 0.12 0.00 0.04 0.00 0.00 34.50 31.21 2k8m s PRO 65 CO -0.17 -0.46 0.21 0.14 0.04 0.00 0.00 177.00 176.76 2k8m s VAL 66 N 2.55 2.99 0.00 -0.36 -7.23 -1.26 -3.73 120.40 113.35 2k8m s VAL 66 Ca 0.47 -2.45 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2k8m s VAL 66 Cb -0.18 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.70 2k8m s VAL 66 CO 0.13 -0.71 0.00 0.49 -0.31 0.00 0.00 175.10 174.70 2k8m n PHE 67 N 4.13 0.00 -3.05 2.82 3.01 -1.24 -5.08 117.46 118.04 2k8m n PHE 67 Ca 0.02 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.36 2k8m n PHE 67 Cb 0.40 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.92 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 -1.97 -6.33 -4.70 4.37 5.15 -1.18 -4.98 115.26 105.62 2k8m n ASN 68 Ca 0.00 -0.57 -0.40 0.00 -0.60 0.00 0.00 54.58 53.02 2k8m n ASN 68 Cb 0.26 -4.77 -0.05 0.00 -0.53 0.00 0.00 39.78 34.70 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 -4.09 4.36 0.07 1.20 2.02 -1.24 -4.85 118.70 116.16 2k8m s GLU 69 Ca 0.36 0.81 -0.30 0.00 0.02 0.00 0.00 54.97 55.86 2k8m s GLU 69 Cb -0.05 -3.49 -0.05 0.00 0.10 0.00 0.00 34.13 30.64 2k8m s GLU 69 CO 0.67 -0.05 0.96 -1.14 0.02 0.00 0.00 175.26 175.71 2k8m s GLN 70 N 1.23 4.64 -0.18 1.61 -0.44 -1.26 -4.00 119.66 121.25 2k8m s GLN 70 Ca 0.35 1.41 -0.03 0.00 -2.50 0.00 0.00 55.36 54.59 2k8m s GLN 70 Cb -0.17 -3.41 -0.02 0.00 -1.64 0.00 0.00 33.01 27.78 2k8m s GLN 70 CO 0.15 0.12 -0.06 0.12 0.50 0.00 0.00 175.29 176.12 2k8m s PHE 71 N 0.37 2.94 -0.87 1.67 5.36 -0.26 -5.01 117.98 122.19 2k8m s PHE 71 Ca 0.48 -0.68 -0.22 0.00 -0.96 0.00 0.00 56.93 55.55 2k8m s PHE 71 Cb -0.22 -2.01 0.08 0.00 -0.34 0.00 0.00 43.02 40.53 2k8m s PHE 71 CO 0.29 -0.33 1.19 0.95 -1.46 0.00 0.00 175.22 175.86 2k8m s THR 72 N 0.91 4.30 -1.34 0.12 -4.23 -1.26 -2.21 115.64 111.93 2k8m s THR 72 Ca -0.01 -0.83 -0.17 0.00 -1.18 0.00 0.00 61.69 59.50 2k8m s THR 72 Cb -0.15 -4.85 0.07 0.00 1.34 0.00 0.00 72.50 68.91 2k8m s THR 72 CO 0.01 -1.65 1.87 0.33 -0.54 0.00 0.00 174.62 174.63 2k8m n PHE 73 N 7.78 4.33 -2.08 3.99 7.35 -0.75 -4.91 117.46 133.17 2k8m n PHE 73 Ca 0.17 -2.90 -0.27 0.00 -0.76 0.00 0.00 57.45 53.68 2k8m n PHE 73 Cb 0.49 -2.58 -0.05 0.00 0.35 0.00 0.00 39.48 37.68 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 3.74 2.61 -0.19 -4.13 1.02 -1.26 -1.47 119.74 120.06 2k8m s LYS 74 Ca 0.51 -0.37 -0.07 0.00 0.02 0.00 0.00 55.97 56.06 2k8m s LYS 74 Cb 0.07 -5.09 0.08 0.00 -0.52 0.00 0.00 37.83 32.37 2k8m s LYS 74 CO 0.03 -3.34 0.40 0.08 -0.92 0.00 0.00 175.35 171.60 2k8m s VAL 75 N 9.85 -0.49 0.42 3.17 1.01 -1.25 -4.96 120.40 128.15 2k8m s VAL 75 Ca 0.69 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 62.57 2k8m s VAL 75 Cb -0.06 -0.64 -0.10 0.00 0.00 0.00 0.00 36.38 35.59 2k8m s VAL 75 CO -0.01 0.07 1.27 -2.65 0.00 0.00 0.00 175.10 173.78 2k8m n PRO 76 N 5.14 1.92 0.29 2.72 -0.02 -1.21 -3.92 135.00 139.92 2k8m n PRO 76 Ca -0.12 0.68 0.19 0.00 -2.02 0.00 0.00 63.50 62.23 2k8m n PRO 76 Cb 0.51 -2.38 1.00 0.00 -0.02 0.00 0.00 33.50 32.60 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 2.07 0.00 0.00 6.00 -0.00 -1.94 0.17 116.97 123.27 2k8m h TYR 77 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 2k8m h TYR 77 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.02 2k8m h TYR 77 CO 0.48 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 179.30 2k8m h SER 78 N 0.00 0.00 -0.28 0.10 4.64 -1.98 -2.99 113.55 113.05 2k8m h SER 78 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k8m h SER 78 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2k8m h SER 78 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 2k8m n GLU 79 N -2.78 2.16 0.08 4.77 1.02 0.56 -4.54 120.64 121.92 2k8m n GLU 79 Ca 0.03 -1.86 0.01 0.00 -0.02 0.00 0.00 57.16 55.33 2k8m n GLU 79 Cb 0.42 -1.30 0.35 0.00 -0.02 0.00 0.00 31.44 30.89 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 2.47 0.31 -1.34 -4.62 6.46 -1.35 -2.70 115.31 114.54 2k8m h LEU 80 Ca 0.00 -0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.65 2k8m h LEU 80 Cb 0.70 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 2k8m h LEU 80 CO 0.00 0.45 -0.04 1.23 -0.62 0.00 0.00 178.44 179.46 2k8m h GLY 81 N 0.79 0.42 -3.72 3.75 0.00 -1.80 -2.97 103.07 99.54 2k8m h GLY 81 Ca 0.06 -0.24 -0.56 0.00 0.00 0.00 0.00 47.33 46.59 2k8m h GLY 81 CO 0.02 0.23 -0.36 0.61 0.00 0.00 0.00 176.54 177.04 2k8m n GLY 82 N -0.93 6.21 2.57 4.60 0.00 -1.03 -4.09 105.19 112.51 2k8m n GLY 82 Ca 0.01 -2.51 -0.28 0.00 0.00 0.00 0.00 46.02 43.23 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 -3.64 1.15 -0.19 1.61 2.47 -1.12 -5.00 119.74 115.02 2k8m s LYS 83 Ca 0.54 -2.08 -0.24 0.00 -1.56 0.00 0.00 55.97 52.63 2k8m s LYS 83 Cb 0.43 -1.93 -0.02 0.00 -1.46 0.00 0.00 37.83 34.86 2k8m s LYS 83 CO 0.02 -1.27 0.79 0.99 0.16 0.00 0.00 175.35 176.04 2k8m s THR 84 N 0.15 4.90 0.04 3.43 2.01 -1.26 -4.53 115.64 120.39 2k8m s THR 84 Ca 0.24 1.54 0.07 0.00 0.31 0.00 0.00 61.69 63.85 2k8m s THR 84 Cb -0.11 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 2k8m s THR 84 CO -0.09 0.03 -0.16 -1.48 -0.69 0.00 0.00 174.62 172.22 2k8m s LEU 85 N 2.20 2.69 0.10 4.42 2.34 -1.25 -3.11 118.68 126.08 2k8m s LEU 85 Ca 0.36 -0.40 0.05 0.00 0.06 0.00 0.00 54.13 54.20 2k8m s LEU 85 Cb -0.16 -1.57 -0.04 0.00 -0.56 0.00 0.00 46.19 43.87 2k8m s LEU 85 CO 0.11 0.25 -0.13 0.68 -1.06 0.00 0.00 176.35 176.20 2k8m s VAL 86 N -0.96 1.18 -0.20 1.48 -7.23 -0.66 -2.80 120.40 111.22 2k8m s VAL 86 Ca 0.15 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 2k8m s VAL 86 Cb -0.11 -1.38 0.03 0.00 0.56 0.00 0.00 36.38 35.49 2k8m s VAL 86 CO 0.06 -0.41 -0.15 -0.32 -0.31 0.00 0.00 175.10 173.98 2k8m s MET 87 N -2.48 2.47 -0.03 4.82 1.75 -0.48 -0.55 119.30 124.79 2k8m s MET 87 Ca 0.05 -0.90 0.01 0.00 -1.25 0.00 0.00 55.69 53.60 2k8m s MET 87 Cb -0.06 -2.53 -0.03 0.00 2.84 0.00 0.00 34.83 35.05 2k8m s MET 87 CO 0.02 -0.35 -0.04 0.00 -0.65 0.00 0.00 175.02 174.00 2k8m s ALA 88 N 1.31 3.12 -0.25 4.11 0.00 -0.38 -2.25 121.76 127.43 2k8m s ALA 88 Ca 0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 50.91 2k8m s ALA 88 Cb -0.15 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 2k8m s ALA 88 CO -0.10 0.61 0.22 0.54 0.00 0.00 0.00 175.76 177.03 2k8m s VAL 89 N -0.95 5.31 0.08 0.00 0.11 0.18 -0.07 120.40 125.06 2k8m s VAL 89 Ca 0.16 0.29 0.05 0.00 -2.93 0.00 0.00 61.98 59.55 2k8m s VAL 89 Cb -0.11 -3.56 -0.04 0.00 -1.53 0.00 0.00 36.38 31.14 2k8m s VAL 89 CO 0.06 0.29 -0.03 -0.47 -3.33 0.00 0.00 175.10 171.62 2k8m s TYR 90 N 1.35 2.92 0.16 1.54 5.04 0.98 -1.74 117.35 127.60 2k8m s TYR 90 Ca 0.10 -0.06 0.04 0.00 -2.44 0.00 0.00 57.07 54.71 2k8m s TYR 90 Cb -0.14 -1.53 -0.04 0.00 0.35 0.00 0.00 41.96 40.60 2k8m s TYR 90 CO 0.07 0.45 0.23 0.34 -1.34 0.00 0.00 175.55 175.31 2k8m s ASP 91 N -2.14 6.03 -0.39 4.32 2.15 -1.25 0.17 116.67 125.56 2k8m s ASP 91 Ca 0.23 0.05 0.12 0.00 0.43 0.00 0.00 52.55 53.39 2k8m s ASP 91 Cb -0.11 -1.73 0.41 0.00 -0.30 0.00 0.00 42.92 41.18 2k8m s ASP 91 CO 0.15 0.05 0.93 0.33 -0.17 0.00 0.00 175.17 176.46 2k8m n PHE 92 N -0.54 1.72 0.29 -5.34 7.35 0.28 -4.81 117.46 116.40 2k8m n PHE 92 Ca -0.08 -3.27 0.19 0.00 -0.76 0.00 0.00 57.45 53.53 2k8m n PHE 92 Cb 0.54 -0.34 0.97 0.00 0.35 0.00 0.00 39.48 41.00 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 2.91 0.00 -1.45 -2.13 2.03 -1.89 -3.45 116.42 112.43 2k8m h ASP 93 Ca 0.06 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.08 2k8m h ASP 93 Cb 0.99 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.44 2k8m h ASP 93 CO 0.61 0.00 -0.32 0.54 -1.03 0.00 0.00 179.24 179.04 2k8m n ARG 94 N -3.32 -1.05 0.00 4.15 1.74 -1.26 -4.78 116.66 112.15 2k8m n ARG 94 Ca -0.01 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.86 2k8m n ARG 94 Cb 0.24 -4.99 0.00 0.00 -1.02 0.00 0.00 32.46 26.69 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 -3.46 -0.65 -1.77 -1.55 7.35 -1.26 -5.13 117.46 110.99 2k8m n PHE 95 Ca -0.15 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.25 2k8m n PHE 95 Cb 0.56 0.50 0.11 0.00 0.35 0.00 0.00 39.48 41.00 2k8m n PHE 95 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k8m s SER 96 N -3.20 4.04 -1.34 -2.13 0.01 -1.26 -4.90 113.70 104.91 2k8m s SER 96 Ca 0.00 0.80 -0.16 0.00 1.31 0.00 0.00 55.95 57.90 2k8m s SER 96 Cb 0.00 -1.29 0.02 0.00 0.21 0.00 0.00 66.02 64.96 2k8m s SER 96 CO 0.00 -2.20 2.08 0.29 0.41 0.00 0.00 173.24 173.82 2k8m n LYS 97 N -3.51 2.73 -1.54 12.44 4.76 -1.26 -4.87 118.16 126.90 2k8m n LYS 97 Ca 0.08 -2.65 -0.53 0.00 -2.87 0.00 0.00 58.31 52.34 2k8m n LYS 97 Cb 0.60 -3.31 -0.06 0.00 -1.84 0.00 0.00 35.03 30.43 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 7.00 1.02 -3.93 2.13 1.44 -1.26 -4.97 115.22 116.65 2k8m n HIS 98 Ca 0.51 0.80 -0.24 0.00 -2.01 0.00 0.00 57.72 56.78 2k8m n HIS 98 Cb 0.41 -2.21 -0.05 0.00 0.12 0.00 0.00 29.99 28.25 2k8m n HIS 98 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2k8m s ASP 99 N 0.06 4.64 -0.16 4.39 2.15 -1.26 -4.86 116.67 121.63 2k8m s ASP 99 Ca 0.81 -0.99 -0.29 0.00 0.43 0.00 0.00 52.55 52.50 2k8m s ASP 99 Cb -1.00 -0.42 -0.02 0.00 -0.30 0.00 0.00 42.92 41.17 2k8m s ASP 99 CO 0.52 -0.63 1.41 -0.63 -0.17 0.00 0.00 175.17 175.67 2k8m s ILE 100 N -2.58 4.02 0.13 4.11 1.01 -1.26 -3.94 121.20 122.69 2k8m s ILE 100 Ca 0.42 1.22 -0.12 0.00 0.00 0.00 0.00 60.65 62.18 2k8m s ILE 100 Cb 0.01 -3.84 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 2k8m s ILE 100 CO 0.24 -0.17 1.46 0.40 0.00 0.00 0.00 174.94 176.87 2k8m h ILE 101 N 5.64 1.27 0.00 2.92 1.08 -1.69 -3.44 117.51 123.28 2k8m h ILE 101 Ca -0.30 -1.57 0.00 0.00 -0.39 0.00 0.00 64.86 62.60 2k8m h ILE 101 Cb 1.13 1.44 0.00 0.00 -3.07 0.00 0.00 36.82 36.31 2k8m h ILE 101 CO 0.98 0.52 0.00 0.61 -0.69 0.00 0.00 178.15 179.57 2k8m n GLY 102 N 0.17 -1.24 1.45 5.37 0.00 -1.25 -4.33 105.19 105.36 2k8m n GLY 102 Ca -0.03 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.06 0.33 -3.56 1.61 0.28 0.75 -0.65 120.64 119.34 2k8m n GLU 103 Ca 0.00 -0.70 -0.17 0.00 -0.16 0.00 0.00 57.16 56.14 2k8m n GLU 103 Cb 0.00 0.90 -0.06 0.00 1.43 0.00 0.00 31.44 33.71 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 -5.39 -0.69 0.11 -1.84 -0.71 -0.95 -1.65 117.98 106.86 2k8m s PHE 104 Ca 0.08 1.36 0.07 0.00 -1.04 0.00 0.00 56.93 57.40 2k8m s PHE 104 Cb -0.01 0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 42.11 2k8m s PHE 104 CO 0.03 -0.53 -0.18 -1.59 -1.34 0.00 0.00 175.22 171.62 2k8m s LYS 105 N -0.67 1.06 -0.06 1.99 0.00 -1.26 -1.39 119.74 119.40 2k8m s LYS 105 Ca -0.07 -1.15 0.00 0.00 0.00 0.00 0.00 55.97 54.75 2k8m s LYS 105 Cb -0.02 -1.18 0.02 0.00 0.00 0.00 0.00 37.83 36.65 2k8m s LYS 105 CO 0.07 0.26 -0.04 0.54 0.00 0.00 0.00 175.35 176.18 2k8m s VAL 106 N -1.42 0.59 -0.83 1.79 0.11 -1.12 -5.04 120.40 114.47 2k8m s VAL 106 Ca 0.06 -0.09 -0.25 0.00 -2.93 0.00 0.00 61.98 58.77 2k8m s VAL 106 Cb -0.09 -0.65 0.05 0.00 -1.53 0.00 0.00 36.38 34.16 2k8m s VAL 106 CO 0.04 0.26 1.30 -2.16 -3.33 0.00 0.00 175.10 171.21 2k8m s PRO 107 N 1.34 3.34 0.58 1.54 0.04 -1.26 -3.95 135.00 136.63 2k8m s PRO 107 Ca -0.04 -0.67 0.28 0.00 0.04 0.00 0.00 61.00 60.60 2k8m s PRO 107 Cb -0.14 -4.62 1.74 0.00 0.04 0.00 0.00 34.50 31.53 2k8m s PRO 107 CO -0.02 -2.12 2.24 0.52 0.04 0.00 0.00 177.00 177.66 2k8m h MET 108 N 9.84 0.00 -0.41 4.56 2.86 -1.81 -1.01 114.93 128.96 2k8m h MET 108 Ca -0.10 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2k8m h MET 108 Cb 1.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 2k8m h MET 108 CO 1.31 0.00 0.23 -0.97 1.06 0.00 0.00 176.91 178.54 2k8m h ASN 109 N 0.00 0.49 0.28 1.22 -1.24 -1.71 -2.77 115.58 111.85 2k8m h ASN 109 Ca 0.00 -0.03 -0.33 0.00 0.71 0.00 0.00 56.30 56.65 2k8m h ASN 109 Cb 0.01 -0.12 -0.04 0.00 0.73 0.00 0.00 38.32 38.90 2k8m h ASN 109 CO -0.00 0.39 -1.91 0.41 -1.29 0.00 0.00 177.43 175.04 2k8m n THR 110 N -4.44 1.68 -2.70 -3.57 -1.04 -0.50 -4.70 114.28 99.02 2k8m n THR 110 Ca 0.03 -0.72 -0.42 0.00 -2.04 0.00 0.00 64.05 60.90 2k8m n THR 110 Cb 0.09 -1.37 -0.03 0.00 -1.82 0.00 0.00 70.33 67.21 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 -2.57 4.15 0.46 12.58 1.01 -0.51 -5.00 120.40 130.52 2k8m s VAL 111 Ca -0.15 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 60.94 2k8m s VAL 111 Cb 0.07 -4.90 -0.07 0.00 0.00 0.00 0.00 36.38 31.48 2k8m s VAL 111 CO 0.79 -1.74 1.14 1.51 0.00 0.00 0.00 175.10 176.81 2k8m s ASP 112 N 4.19 6.20 -1.37 3.32 -4.77 -1.26 -4.73 116.67 118.24 2k8m s ASP 112 Ca 0.37 2.24 -0.11 0.00 -3.30 0.00 0.00 52.55 51.75 2k8m s ASP 112 Cb -0.06 -2.60 0.10 0.00 -1.09 0.00 0.00 42.92 39.28 2k8m s ASP 112 CO -0.02 -0.89 2.14 2.22 0.70 0.00 0.00 175.17 179.32 2k8m n PHE 113 N -0.55 3.05 0.14 2.11 1.16 -1.26 -4.77 117.46 117.34 2k8m n PHE 113 Ca 0.08 -2.88 -0.05 0.00 -1.87 0.00 0.00 57.45 52.72 2k8m n PHE 113 Cb 0.49 -2.18 -0.03 0.00 -1.61 0.00 0.00 39.48 36.15 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 8.28 -0.37 0.00 4.97 0.00 -1.99 -3.48 103.07 110.49 2k8m h GLY 114 Ca 0.52 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.99 2k8m h GLY 114 CO 1.72 -0.13 0.00 1.42 0.00 0.00 0.00 176.54 179.54 2k8m n HIS 115 N -3.09 -0.69 -3.58 5.60 8.25 -1.26 -5.11 115.22 115.34 2k8m n HIS 115 Ca -0.04 0.09 -0.13 0.00 -0.26 0.00 0.00 57.72 57.37 2k8m n HIS 115 Cb 0.14 0.58 -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 -1.14 -0.47 -0.94 1.59 -7.23 -1.26 -4.43 120.40 106.53 2k8m s VAL 116 Ca 0.00 0.13 -0.20 0.00 -1.81 0.00 0.00 61.98 60.10 2k8m s VAL 116 Cb 0.00 -0.59 0.11 0.00 0.56 0.00 0.00 36.38 36.47 2k8m s VAL 116 CO 0.00 0.01 1.18 -0.89 -0.31 0.00 0.00 175.10 175.09 2k8m s THR 117 N 2.45 4.57 -0.28 5.32 2.01 -0.43 -4.91 115.64 124.38 2k8m s THR 117 Ca 0.04 -1.40 -0.07 0.00 0.31 0.00 0.00 61.69 60.57 2k8m s THR 117 Cb -0.13 -4.83 -0.01 0.00 0.01 0.00 0.00 72.50 67.54 2k8m s THR 117 CO -0.11 -1.58 0.08 -1.61 -0.69 0.00 0.00 174.62 170.71 2k8m s GLU 118 N 3.13 3.33 0.20 4.92 2.02 -1.26 -0.59 118.70 130.45 2k8m s GLU 118 Ca 0.35 -0.70 -0.17 0.00 0.02 0.00 0.00 54.97 54.47 2k8m s GLU 118 Cb -0.04 -3.37 0.02 0.00 0.10 0.00 0.00 34.13 30.84 2k8m s GLU 118 CO -0.09 -0.34 0.51 -1.83 0.02 0.00 0.00 175.26 173.53 2k8m s GLU 119 N 1.56 1.39 -0.89 1.61 -1.05 -1.16 -5.04 118.70 115.11 2k8m s GLU 119 Ca 0.04 -0.91 -0.02 0.00 -0.15 0.00 0.00 54.97 53.93 2k8m s GLU 119 Cb -0.16 0.51 0.22 0.00 -0.44 0.00 0.00 34.13 34.26 2k8m s GLU 119 CO 0.03 -0.59 0.78 -1.58 0.95 0.00 0.00 175.26 174.86 2k8m s TRP 120 N -3.89 3.90 0.32 4.83 0.23 -1.26 -3.00 118.94 120.07 2k8m s TRP 120 Ca 0.11 -3.00 -0.29 0.00 -2.03 0.00 0.00 56.10 50.89 2k8m s TRP 120 Cb -0.01 -3.28 -0.10 0.00 0.03 0.00 0.00 33.47 30.11 2k8m s TRP 120 CO -0.02 -0.75 1.29 0.50 0.96 0.00 0.00 176.95 178.94 2k8m s ARG 121 N -1.29 4.37 0.28 4.98 6.06 -0.90 -4.72 118.95 127.73 2k8m s ARG 121 Ca 0.27 2.19 -0.27 0.00 -2.50 0.00 0.00 55.73 55.42 2k8m s ARG 121 Cb -0.08 -3.08 -0.09 0.00 0.06 0.00 0.00 34.95 31.76 2k8m s ARG 121 CO -0.12 -0.16 0.92 0.16 -2.50 0.00 0.00 175.30 173.60 2k8m s ASP 122 N -0.48 7.44 0.01 -2.12 -4.77 -1.26 -0.02 116.67 115.47 2k8m s ASP 122 Ca 0.49 1.84 -0.10 0.00 -3.30 0.00 0.00 52.55 51.48 2k8m s ASP 122 Cb -0.39 -2.58 -0.05 0.00 -1.09 0.00 0.00 42.92 38.81 2k8m s ASP 122 CO 0.52 0.04 0.33 -0.76 0.70 0.00 0.00 175.17 176.00 2k8m s LEU 123 N -1.68 4.40 -0.02 2.11 1.43 0.78 -4.85 118.68 120.85 2k8m s LEU 123 Ca 0.46 0.74 0.06 0.00 -1.03 0.00 0.00 54.13 54.36 2k8m s LEU 123 Cb -0.21 -2.65 -0.01 0.00 0.03 0.00 0.00 46.19 43.34 2k8m s LEU 123 CO 0.27 0.27 -0.20 -1.10 0.23 0.00 0.00 176.35 175.82 2k8m s GLN 124 N -1.49 1.76 -1.29 1.70 -0.21 -0.66 -2.28 119.66 117.19 2k8m s GLN 124 Ca 0.26 -0.73 -0.18 0.00 0.02 0.00 0.00 55.36 54.73 2k8m s GLN 124 Cb -0.14 -1.65 0.04 0.00 1.00 0.00 0.00 33.01 32.25 2k8m s GLN 124 CO 0.14 0.41 1.84 0.43 -2.12 0.00 0.00 175.29 175.99 2k8m n SER 125 N 2.70 4.48 -4.55 5.90 7.64 -1.26 -0.18 113.62 128.35 2k8m n SER 125 Ca -0.16 -2.87 -0.41 0.00 1.01 0.00 0.00 58.87 56.44 2k8m n SER 125 Cb 0.53 -1.72 -0.03 0.00 -1.01 0.00 0.00 64.21 61.98 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 4.97 2.71 0.14 -0.43 0.00 -1.26 -4.83 121.76 123.07 2k8m s ALA 126 Ca 0.55 -1.70 -0.31 0.00 0.00 0.00 0.00 51.96 50.49 2k8m s ALA 126 Cb 0.05 -4.37 -0.10 0.00 0.00 0.00 0.00 23.12 18.71 2k8m s ALA 126 CO 0.06 -3.44 1.60 -1.21 0.00 0.00 0.00 175.76 172.77 2k8m s GLU 127 N 5.48 4.21 0.00 0.00 2.02 -1.26 -4.71 118.70 124.44 2k8m s GLU 127 Ca 0.40 2.37 0.02 0.00 0.02 0.00 0.00 54.97 57.77 2k8m s GLU 127 Cb -0.05 -3.28 0.01 0.00 0.10 0.00 0.00 34.13 30.91 2k8m s GLU 127 CO 0.05 -0.65 0.55 1.63 0.02 0.00 0.00 175.26 176.86