#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0a n GLY 0 N 0.00 -0.19 3.06 -0.02 0.00 -1.26 -4.82 105.19 101.96 2k0a n GLY 0 Ca 0.00 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2k0a n GLY 0 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k0a n SER 1 N 0.00 2.79 0.00 1.61 7.64 -1.26 -4.55 113.62 119.85 2k0a n SER 1 Ca 0.00 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.17 2k0a n SER 1 Cb 0.00 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 2k0a n SER 1 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k0a n SER 2 N 7.54 0.00 -3.04 6.43 7.64 -1.26 -4.41 113.62 126.53 2k0a n SER 2 Ca 0.50 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 60.24 2k0a n SER 2 Cb 0.41 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.68 2k0a n SER 2 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2k0a n ARG 3 N 0.00 -5.36 -2.64 1.43 3.00 -1.26 -4.86 116.66 106.97 2k0a n ARG 3 Ca 0.00 0.71 -0.41 0.00 -0.00 0.00 0.00 57.85 58.16 2k0a n ARG 3 Cb 0.00 -5.32 -0.05 0.00 0.00 0.00 0.00 32.46 27.09 2k0a n ARG 3 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2k0a s HIS 4 N -3.30 3.78 -0.29 -0.14 -3.43 -1.26 -4.82 115.29 105.82 2k0a s HIS 4 Ca 0.02 1.77 -0.22 0.00 -0.80 0.00 0.00 55.06 55.84 2k0a s HIS 4 Cb -0.00 -3.13 0.16 0.00 -1.43 0.00 0.00 32.58 28.18 2k0a s HIS 4 CO 0.61 -0.05 1.20 -1.14 -2.00 0.00 0.00 174.74 173.37 2k0a s GLN 5 N -0.78 0.26 -0.02 -0.38 2.00 -1.26 -5.02 119.66 114.46 2k0a s GLN 5 Ca 0.45 0.35 0.22 0.00 -2.00 0.00 0.00 55.36 54.37 2k0a s GLN 5 Cb -0.27 0.10 -0.29 0.00 0.80 0.00 0.00 33.01 33.35 2k0a s GLN 5 CO 0.34 -0.04 0.66 0.34 -0.50 0.00 0.00 175.29 176.09 2k0a n PHE 6 N 2.39 0.01 -0.94 1.67 7.35 -1.26 -4.51 117.46 122.17 2k0a n PHE 6 Ca -0.13 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.27 2k0a n PHE 6 Cb 0.57 -0.29 -0.02 0.00 0.35 0.00 0.00 39.48 40.08 2k0a n PHE 6 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2k0a n ASP 7 N -1.94 5.56 -4.57 -2.13 9.92 -1.26 -4.81 116.55 117.32 2k0a n ASP 7 Ca -0.01 -2.43 -0.43 0.00 -0.53 0.00 0.00 54.79 51.40 2k0a n ASP 7 Cb 0.47 -1.22 -0.00 0.00 -0.64 0.00 0.00 41.12 39.72 2k0a n ASP 7 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2k0a s LEU 8 N 0.29 3.93 -1.37 0.64 1.43 -1.26 -4.86 118.68 117.48 2k0a s LEU 8 Ca 0.48 -2.48 -0.16 0.00 -1.03 0.00 0.00 54.13 50.95 2k0a s LEU 8 Cb 0.12 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.80 2k0a s LEU 8 CO -0.03 -1.14 2.12 -0.38 0.23 0.00 0.00 176.35 177.15 2k0a n ILE 9 N 6.27 3.35 -2.46 -0.59 -0.00 -1.26 -4.93 119.36 119.73 2k0a n ILE 9 Ca 0.48 -3.03 -0.35 0.00 -0.00 0.00 0.00 62.75 59.85 2k0a n ILE 9 Cb 0.46 -2.53 -0.03 0.00 -0.00 0.00 0.00 39.64 37.54 2k0a n ILE 9 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k0a s MET 10 N 3.59 3.74 0.16 0.38 0.23 -1.26 -2.62 119.30 123.52 2k0a s MET 10 Ca 0.49 1.46 -0.17 0.00 -1.03 0.00 0.00 55.69 56.45 2k0a s MET 10 Cb 0.12 -2.14 0.08 0.00 -1.53 0.00 0.00 34.83 31.36 2k0a s MET 10 CO -0.04 -0.50 1.67 0.00 -2.03 0.00 0.00 175.02 174.12 2k0a n LEU 12 N -5.28 -1.27 -4.90 0.00 4.77 0.26 -4.86 117.00 105.72 2k0a n LEU 12 Ca 0.02 -0.02 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 2k0a n LEU 12 Cb 0.21 -2.08 0.05 0.00 -2.33 0.00 0.00 43.42 39.27 2k0a n LEU 12 CO 0.16 -0.00 0.68 -0.54 -1.33 0.00 0.00 177.39 176.36 2k0a s LYS 13 N -5.41 2.65 -0.17 3.23 1.02 -1.26 -4.18 119.74 115.62 2k0a s LYS 13 Ca 0.16 0.19 -0.30 0.00 0.02 0.00 0.00 55.97 56.04 2k0a s LYS 13 Cb -0.08 -2.10 -0.07 0.00 -0.52 0.00 0.00 37.83 35.06 2k0a s LYS 13 CO 0.19 -1.06 2.14 0.94 -0.92 0.00 0.00 175.35 176.65 2k0a n GLN 14 N -2.93 2.04 -2.59 1.68 0.00 -1.26 -1.01 117.38 113.31 2k0a n GLN 14 Ca 0.07 0.63 -0.40 0.00 -0.00 0.00 0.00 57.00 57.30 2k0a n GLN 14 Cb 0.58 -3.04 -0.05 0.00 0.00 0.00 0.00 30.24 27.73 2k0a n GLN 14 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2k0a s PRO 15 N 5.78 4.65 0.00 3.69 0.04 -1.26 -3.96 135.00 143.93 2k0a s PRO 15 Ca 0.99 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.67 2k0a s PRO 15 Cb -0.46 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 30.97 2k0a s PRO 15 CO 0.40 0.28 0.00 0.41 0.04 0.00 0.00 177.00 178.12 2k0a n GLY 16 N 1.14 1.44 0.10 0.56 0.00 -0.24 -4.85 105.19 103.34 2k0a n GLY 16 Ca -0.00 -1.62 0.03 0.00 0.00 0.00 0.00 46.02 44.42 2k0a n GLY 16 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2k0a h VAL 17 N 0.00 0.42 -2.30 1.61 3.04 -1.98 -3.43 116.25 113.61 2k0a h VAL 17 Ca 0.00 -1.79 -0.57 0.00 -1.01 0.00 0.00 66.70 63.33 2k0a h VAL 17 Cb 0.00 1.96 0.04 0.00 -2.01 0.00 0.00 31.29 31.27 2k0a h VAL 17 CO 0.00 0.24 1.05 0.00 -1.01 0.00 0.00 177.57 177.84 2k0a n GLN 18 N -2.88 2.48 -3.02 4.17 3.00 -1.26 -4.89 117.38 114.98 2k0a n GLN 18 Ca -0.07 0.90 -0.39 0.00 -0.01 0.00 0.00 57.00 57.43 2k0a n GLN 18 Cb 0.77 -2.76 -0.06 0.00 0.00 0.00 0.00 30.24 28.19 2k0a n GLN 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2k0a s THR 19 N 2.83 4.55 0.12 5.09 2.01 -1.26 -0.98 115.64 128.00 2k0a s THR 19 Ca 0.85 1.62 -0.31 0.00 0.31 0.00 0.00 61.69 64.15 2k0a s THR 19 Cb -0.58 -4.10 -0.08 0.00 0.01 0.00 0.00 72.50 67.75 2k0a s THR 19 CO 0.42 0.47 1.39 -0.83 -0.69 0.00 0.00 174.62 175.37 2k0a s GLY 20 N -0.72 2.00 0.13 4.40 0.00 -0.09 -4.79 107.32 108.25 2k0a s GLY 20 Ca 0.36 1.12 -0.17 0.00 0.00 0.00 0.00 44.72 46.03 2k0a s GLY 20 CO 0.24 2.33 0.60 1.08 0.00 0.00 0.00 173.10 177.35 2k0a s LEU 21 N 1.01 4.42 -0.07 0.66 1.43 -1.26 -0.47 118.68 124.40 2k0a s LEU 21 Ca 0.64 1.23 0.02 0.00 -1.03 0.00 0.00 54.13 54.99 2k0a s LEU 21 Cb -0.37 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 2k0a s LEU 21 CO 0.31 0.16 -0.12 -0.76 0.23 0.00 0.00 176.35 176.16 2k0a s LEU 22 N -1.62 2.84 0.58 1.79 1.43 0.20 -0.75 118.68 123.14 2k0a s LEU 22 Ca 0.35 -0.18 -0.16 0.00 -1.03 0.00 0.00 54.13 53.12 2k0a s LEU 22 Cb -0.17 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 2k0a s LEU 22 CO 0.20 0.31 1.04 0.00 0.23 0.00 0.00 176.35 178.12 2k0a h GLU 24 N 0.52 0.26 0.00 0.00 5.08 -1.95 0.12 114.58 118.61 2k0a h GLU 24 Ca -0.47 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 57.80 2k0a h GLU 24 Cb 1.21 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2k0a h GLU 24 CO 0.59 0.17 -0.36 0.87 -1.00 0.00 0.00 179.01 179.28 2k0a h LYS 25 N 0.27 0.00 -1.08 2.33 1.57 -1.96 -2.53 116.57 115.17 2k0a h LYS 25 Ca 0.44 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.56 2k0a h LYS 25 Cb 1.30 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.29 2k0a h LYS 25 CO -0.12 0.36 0.52 0.00 -0.57 0.00 0.00 179.45 179.64 2k0a s ASP 27 N -2.14 6.59 -0.60 0.00 -1.08 -0.96 -3.27 116.67 115.22 2k0a s ASP 27 Ca 0.60 2.18 -0.02 0.00 -0.52 0.00 0.00 52.55 54.79 2k0a s ASP 27 Cb 0.48 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.41 2k0a s ASP 27 CO -0.05 -1.00 0.51 0.61 0.52 0.00 0.00 175.17 175.76 2k0a n GLY 28 N 4.26 0.17 3.30 2.66 0.00 -1.26 -5.03 105.19 109.30 2k0a n GLY 28 Ca 0.18 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2k0a n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k0a s LYS 29 N -5.15 2.12 -0.15 1.61 1.02 -1.20 -4.27 119.74 113.71 2k0a s LYS 29 Ca 0.15 -0.92 -0.29 0.00 0.02 0.00 0.00 55.97 54.92 2k0a s LYS 29 Cb -0.06 -2.03 -0.01 0.00 -0.52 0.00 0.00 37.83 35.21 2k0a s LYS 29 CO 0.34 0.55 1.08 0.00 -0.92 0.00 0.00 175.35 176.40 2k0a h PRO 31 N 7.42 0.75 -0.61 0.00 0.11 -1.90 0.23 132.00 137.99 2k0a h PRO 31 Ca -0.27 -0.18 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 2k0a h PRO 31 Cb 1.11 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 2k0a h PRO 31 CO 0.92 0.73 0.16 0.82 -0.21 0.00 0.00 178.00 180.42 2k0a h ILE 32 N 0.71 1.25 0.00 4.15 1.08 -1.92 -3.35 117.51 119.43 2k0a h ILE 32 Ca 0.15 -0.89 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 2k0a h ILE 32 Cb 0.38 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 2k0a h ILE 32 CO 0.01 0.34 -0.34 0.00 -0.69 0.00 0.00 178.15 177.46 2k0a n ASP 34 N -1.18 -6.81 -3.58 0.00 2.03 0.80 -5.05 116.55 102.76 2k0a n ASP 34 Ca 0.00 0.55 -0.07 0.00 0.52 0.00 0.00 54.79 55.78 2k0a n ASP 34 Cb 0.04 -4.54 -0.04 0.00 -0.72 0.00 0.00 41.12 35.85 2k0a n ASP 34 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2k0a s SER 35 N -2.14 -0.26 -0.12 1.67 0.15 -1.23 -4.94 113.70 106.82 2k0a s SER 35 Ca 0.17 0.21 0.05 0.00 0.70 0.00 0.00 55.95 57.08 2k0a s SER 35 Cb -0.05 0.23 0.33 0.00 -1.71 0.00 0.00 66.02 64.82 2k0a s SER 35 CO 0.62 -0.30 1.12 -1.22 1.20 0.00 0.00 173.24 174.66 2k0a n TYR 36 N 0.43 0.98 -1.67 3.44 4.02 -1.26 -0.80 117.16 122.31 2k0a n TYR 36 Ca -0.06 -0.50 -0.33 0.00 -0.01 0.00 0.00 57.90 56.99 2k0a n TYR 36 Cb 0.59 -0.34 0.06 0.00 -0.02 0.00 0.00 39.34 39.62 2k0a n TYR 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2k0a s VAL 37 N -1.64 3.02 0.01 -0.72 0.11 -1.26 -4.89 120.40 115.03 2k0a s VAL 37 Ca 0.23 0.48 -0.39 0.00 -2.93 0.00 0.00 61.98 59.37 2k0a s VAL 37 Cb 0.18 -3.00 -0.18 0.00 -1.53 0.00 0.00 36.38 31.85 2k0a s VAL 37 CO 0.06 -0.29 1.23 -2.11 -3.33 0.00 0.00 175.10 170.66 2k0a n ARG 38 N -2.52 0.56 0.00 1.54 1.85 -1.26 -4.80 116.66 112.04 2k0a n ARG 38 Ca 0.11 0.20 0.00 0.00 -1.00 0.00 0.00 57.85 57.16 2k0a n ARG 38 Cb 0.52 -1.78 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 2k0a n ARG 38 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2k0a n PRO 39 N 2.18 0.27 0.00 2.89 -0.02 -1.26 -0.43 135.00 138.63 2k0a n PRO 39 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2k0a n PRO 39 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.61 2k0a n PRO 39 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2k0a n LYS 40 N -0.59 0.00 -3.74 -0.52 3.00 -0.58 -2.77 118.16 112.96 2k0a n LYS 40 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 2k0a n LYS 40 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 34.92 2k0a n LYS 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2k0a s ARG 41 N -1.28 0.38 0.35 1.64 3.52 -1.09 -5.01 118.95 117.45 2k0a s ARG 41 Ca 0.00 0.56 -0.28 0.00 -0.13 0.00 0.00 55.73 55.87 2k0a s ARG 41 Cb 0.00 0.10 -0.11 0.00 -1.56 0.00 0.00 34.95 33.39 2k0a s ARG 41 CO 0.00 -0.09 1.42 0.15 -0.81 0.00 0.00 175.30 175.97 2k0a s LYS 42 N 0.60 4.21 0.18 5.12 1.02 -1.26 0.61 119.74 130.22 2k0a s LYS 42 Ca -0.03 2.42 -0.30 0.00 0.02 0.00 0.00 55.97 58.08 2k0a s LYS 42 Cb -0.05 -3.02 -0.08 0.00 -0.52 0.00 0.00 37.83 34.16 2k0a s LYS 42 CO -0.04 -0.40 1.29 0.08 -0.92 0.00 0.00 175.35 175.36 2k0a s VAL 43 N -1.02 3.34 -0.10 3.17 1.01 0.14 -4.69 120.40 122.25 2k0a s VAL 43 Ca 0.52 1.08 0.03 0.00 0.00 0.00 0.00 61.98 63.61 2k0a s VAL 43 Cb -0.44 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.26 2k0a s VAL 43 CO 0.58 0.15 -0.19 -0.13 0.00 0.00 0.00 175.10 175.51 2k0a s ARG 44 N 0.06 2.48 0.17 2.72 0.52 -1.26 -0.92 118.95 122.72 2k0a s ARG 44 Ca 0.57 -0.68 0.03 0.00 -0.52 0.00 0.00 55.73 55.14 2k0a s ARG 44 Cb -0.35 -1.98 -0.03 0.00 0.52 0.00 0.00 34.95 33.11 2k0a s ARG 44 CO 0.37 0.06 0.28 0.14 0.02 0.00 0.00 175.30 176.16 2k0a s VAL 45 N 0.64 5.19 0.47 3.52 -7.23 -0.15 -4.07 120.40 118.77 2k0a s VAL 45 Ca -0.14 -0.80 -0.23 0.00 -1.81 0.00 0.00 61.98 59.00 2k0a s VAL 45 Cb -0.16 -3.70 -0.07 0.00 0.56 0.00 0.00 36.38 33.01 2k0a s VAL 45 CO 0.04 -0.14 1.22 0.00 -0.31 0.00 0.00 175.10 175.91 2k0a h GLU 47 N 2.00 0.00 -0.19 0.00 4.22 -1.90 0.12 114.58 118.83 2k0a h GLU 47 Ca -0.50 0.00 0.03 0.00 0.08 0.00 0.00 59.36 58.97 2k0a h GLU 47 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2k0a h GLU 47 CO 0.60 0.00 0.13 -0.91 -2.18 0.00 0.00 179.01 176.65 2k0a h ASN 48 N 0.00 0.12 -0.90 1.04 2.35 -1.90 -0.79 115.58 115.50 2k0a h ASN 48 Ca 0.09 -0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.39 2k0a h ASN 48 Cb 0.38 -0.03 -0.27 0.00 0.05 0.00 0.00 38.32 38.45 2k0a h ASN 48 CO -0.00 0.09 0.53 0.00 -1.65 0.00 0.00 177.43 176.40 2k0a n SER 50 N -1.03 2.82 -4.90 0.00 7.64 -0.30 -4.30 113.62 113.54 2k0a n SER 50 Ca 0.55 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 60.11 2k0a n SER 50 Cb 1.58 0.85 -0.05 0.00 -1.01 0.00 0.00 64.21 65.58 2k0a n SER 50 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2k0a s PHE 51 N -2.30 3.51 0.00 1.43 -0.12 -1.23 -4.73 117.98 114.54 2k0a s PHE 51 Ca -0.04 0.45 0.00 0.00 -0.05 0.00 0.00 56.93 57.29 2k0a s PHE 51 Cb 0.03 -1.92 0.00 0.00 -0.63 0.00 0.00 43.02 40.51 2k0a s PHE 51 CO 0.37 0.52 0.00 0.41 -0.05 0.00 0.00 175.22 176.46 2k0a n GLY 52 N 0.31 -3.10 0.08 1.99 0.00 -1.26 -4.64 105.19 98.57 2k0a n GLY 52 Ca -0.05 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 2k0a n GLY 52 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k0a h LYS 53 N 0.00 0.11 -2.65 1.61 1.63 -1.99 -3.32 116.57 111.96 2k0a h LYS 53 Ca 0.00 -0.06 -0.38 0.00 -0.85 0.00 0.00 60.65 59.36 2k0a h LYS 53 Cb 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 2k0a h LYS 53 CO 0.00 0.60 1.64 0.94 -3.45 0.00 0.00 179.45 179.18 2k0a n GLN 54 N -4.74 2.48 0.04 1.90 -0.06 -1.26 -3.59 117.38 112.15 2k0a n GLN 54 Ca -0.08 -1.43 0.00 0.00 -2.00 0.00 0.00 57.00 53.49 2k0a n GLN 54 Cb 0.30 -2.32 0.00 0.00 -4.06 0.00 0.00 30.24 24.16 2k0a n GLN 54 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2k0a n ALA 55 N 3.18 3.00 0.36 1.69 0.00 -1.25 -4.76 120.51 122.73 2k0a n ALA 55 Ca 0.53 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.10 2k0a n ALA 55 Cb 0.49 0.08 0.29 0.00 0.00 0.00 0.00 19.45 20.30 2k0a n ALA 55 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2k0a h LYS 56 N 0.00 0.00 -7.10 0.00 1.79 -1.77 -3.44 116.57 106.04 2k0a h LYS 56 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 2k0a h LYS 56 Cb 0.12 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 30.87 2k0a h LYS 56 CO 0.00 0.00 0.45 -0.80 -1.08 0.00 0.00 179.45 178.02 2k0a s ASN 57 N -5.59 5.36 0.20 0.86 0.01 -1.26 -0.25 114.94 114.27 2k0a s ASN 57 Ca 0.08 2.28 -0.32 0.00 -0.71 0.00 0.00 52.86 54.19 2k0a s ASN 57 Cb 0.08 -2.59 -0.15 0.00 0.41 0.00 0.00 41.25 39.00 2k0a s ASN 57 CO 0.63 -1.47 1.21 0.00 -1.51 0.00 0.00 177.10 175.96 2k0a h ILE 59 N 2.69 1.44 -0.03 0.00 3.07 -1.26 -1.65 117.51 121.77 2k0a h ILE 59 Ca -0.43 -2.71 -0.06 0.00 1.55 0.00 0.00 64.86 63.20 2k0a h ILE 59 Cb 1.33 2.65 0.00 0.00 -0.27 0.00 0.00 36.82 40.53 2k0a h ILE 59 CO 0.70 0.80 -0.24 0.40 -1.05 0.00 0.00 178.15 178.77 2k0a h ILE 60 N 0.16 1.49 -0.20 0.16 2.04 -1.81 -1.27 117.51 118.08 2k0a h ILE 60 Ca -0.10 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 63.98 2k0a h ILE 60 Cb 1.75 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 40.37 2k0a h ILE 60 CO 0.18 0.49 0.00 0.00 0.00 0.00 0.00 178.15 178.82 2k0a n ASN 62 N 1.20 0.17 0.06 0.00 6.94 -0.62 -4.66 115.26 118.35 2k0a n ASN 62 Ca 0.14 -1.04 0.00 0.00 -0.02 0.00 0.00 54.58 53.66 2k0a n ASN 62 Cb 0.53 -1.30 0.00 0.00 -2.36 0.00 0.00 39.78 36.64 2k0a n ASN 62 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2k0a n LEU 63 N -3.79 -0.33 -4.79 -4.53 -0.00 -1.25 -4.00 117.00 98.31 2k0a n LEU 63 Ca -0.17 0.22 -0.37 0.00 -0.00 0.00 0.00 56.01 55.68 2k0a n LEU 63 Cb 0.52 0.43 -0.06 0.00 -0.00 0.00 0.00 43.42 44.31 2k0a n LEU 63 CO 0.72 -0.54 0.57 0.20 -0.00 0.00 0.00 177.39 178.34 2k0a s ASN 64 N -3.89 7.31 0.26 1.96 0.01 -1.26 -4.78 114.94 114.54 2k0a s ASN 64 Ca 0.00 1.72 -0.31 0.00 -0.71 0.00 0.00 52.86 53.56 2k0a s ASN 64 Cb 0.00 -2.53 -0.13 0.00 0.41 0.00 0.00 41.25 39.00 2k0a s ASN 64 CO 0.00 0.02 1.50 0.52 -1.51 0.00 0.00 177.10 177.63 2k0a n VAL 65 N 0.83 0.89 -3.18 1.60 0.31 -1.26 0.99 118.33 118.51 2k0a n VAL 65 Ca -0.01 -0.22 -0.34 0.00 -0.01 0.00 0.00 64.34 63.76 2k0a n VAL 65 Cb 0.50 -1.69 -0.06 0.00 -0.91 0.00 0.00 33.84 31.68 2k0a n VAL 65 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2k0a s GLY 66 N 0.44 2.45 0.00 2.92 0.00 0.65 -4.30 107.32 109.49 2k0a s GLY 66 Ca 0.67 0.03 0.00 0.00 0.00 0.00 0.00 44.72 45.43 2k0a s GLY 66 CO 0.48 0.30 0.00 3.33 0.00 0.00 0.00 173.10 177.20 2k0a n VAL 67 N 0.22 0.00 -2.07 1.40 0.24 0.13 -4.76 118.33 113.49 2k0a n VAL 67 Ca -0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.02 2k0a n VAL 67 Cb 0.52 -0.45 0.12 0.00 -1.47 0.00 0.00 33.84 32.56 2k0a n VAL 67 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2k0a s ASN 68 N -3.40 4.13 -0.12 -1.34 -0.87 0.44 -4.80 114.94 108.99 2k0a s ASN 68 Ca 0.00 0.41 -0.02 0.00 -1.57 0.00 0.00 52.86 51.68 2k0a s ASN 68 Cb 0.00 -0.79 -0.03 0.00 -0.02 0.00 0.00 41.25 40.41 2k0a s ASN 68 CO 0.00 -2.08 -0.06 -1.81 -2.57 0.00 0.00 177.10 170.59 2k0a s ASP 69 N -4.68 4.69 0.49 -1.22 1.01 -1.26 0.61 116.67 116.31 2k0a s ASP 69 Ca 0.66 -0.09 -0.19 0.00 0.71 0.00 0.00 52.55 53.64 2k0a s ASP 69 Cb -0.08 -1.51 -0.09 0.00 1.01 0.00 0.00 42.92 42.25 2k0a s ASP 69 CO 0.49 0.26 1.00 0.00 0.21 0.00 0.00 175.17 177.12 2k0a s ALA 70 N -0.17 2.95 -0.04 5.23 0.00 0.38 -4.80 121.76 125.31 2k0a s ALA 70 Ca 0.03 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.45 2k0a s ALA 70 Cb -0.13 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 2k0a s ALA 70 CO 0.03 -0.22 -0.17 -0.06 0.00 0.00 0.00 175.76 175.34 2k0a s PHE 71 N -2.24 1.68 -0.01 0.00 0.40 -1.26 0.24 117.98 116.79 2k0a s PHE 71 Ca 0.63 -0.48 -0.30 0.00 -0.60 0.00 0.00 56.93 56.18 2k0a s PHE 71 Cb -0.13 -1.13 -0.05 0.00 0.51 0.00 0.00 43.02 42.22 2k0a s PHE 71 CO 0.22 -0.16 1.38 0.71 0.70 0.00 0.00 175.22 178.07 2k0a s TYR 72 N 0.04 2.89 0.73 0.36 2.02 0.20 -4.18 117.35 119.41 2k0a s TYR 72 Ca -0.04 0.86 -0.13 0.00 -0.37 0.00 0.00 57.07 57.40 2k0a s TYR 72 Cb -0.11 -3.63 0.04 0.00 -0.40 0.00 0.00 41.96 37.85 2k0a s TYR 72 CO 0.02 -2.32 1.12 0.00 -1.57 0.00 0.00 175.55 172.81 2k0a h TRP 74 N -0.60 0.95 0.14 0.00 7.01 -0.56 -1.06 115.95 121.82 2k0a h TRP 74 Ca -0.45 0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.58 2k0a h TRP 74 Cb 1.25 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 28.03 2k0a h TRP 74 CO 0.54 0.15 -0.11 0.93 -2.79 0.00 0.00 178.44 177.16 2k0a h GLU 75 N 0.65 -0.25 -0.45 2.65 5.08 -1.90 0.38 114.58 120.74 2k0a h GLU 75 Ca 0.57 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.89 2k0a h GLU 75 Cb 0.96 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2k0a h GLU 75 CO -0.42 -0.16 0.04 0.00 -1.00 0.00 0.00 179.01 177.46 2k0a h ARG 78 N 0.53 0.10 0.00 0.00 2.43 0.29 -2.34 114.38 115.38 2k0a h ARG 78 Ca 0.09 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 2k0a h ARG 78 Cb 0.66 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2k0a h ARG 78 CO 0.04 0.06 -0.45 -0.07 -1.51 0.00 0.00 179.97 178.05 2k0a h LEU 79 N 0.10 0.00 -0.63 3.80 3.38 -0.87 -3.47 115.31 117.61 2k0a h LEU 79 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2k0a h LEU 79 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2k0a h LEU 79 CO -0.07 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.52 2k0a n GLY 80 N 0.21 0.62 0.12 0.83 0.00 0.15 -5.01 105.19 102.10 2k0a n GLY 80 Ca -0.01 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 2k0a n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k0a h LYS 81 N 0.00 0.31 0.00 1.61 1.79 -0.57 -3.33 116.57 116.39 2k0a h LYS 81 Ca 0.00 -0.54 -0.06 0.00 -2.18 0.00 0.00 60.65 57.87 2k0a h LYS 81 Cb 0.37 0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 2k0a h LYS 81 CO 0.00 1.22 -0.30 0.38 -1.08 0.00 0.00 179.45 179.67 2k0a h ASP 82 N 0.09 0.00 -0.36 0.86 2.03 -1.90 -2.82 116.42 114.32 2k0a h ASP 82 Ca -0.21 0.00 0.08 0.00 -0.73 0.00 0.00 57.03 56.17 2k0a h ASP 82 Cb 2.03 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 40.52 2k0a h ASP 82 CO 0.20 0.30 0.25 0.07 -1.03 0.00 0.00 179.24 179.03 2k0a h LYS 83 N 0.00 0.10 0.24 4.15 2.10 -1.92 -1.89 116.57 119.35 2k0a h LYS 83 Ca -0.00 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 2k0a h LYS 83 Cb 0.57 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2k0a h LYS 83 CO 0.04 0.07 -0.12 -0.44 -2.00 0.00 0.00 179.45 177.00 2k0a h ASP 84 N 0.11 -0.27 0.00 7.07 3.32 -1.70 -3.49 116.42 121.45 2k0a h ASP 84 Ca 0.17 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2k0a h ASP 84 Cb 0.53 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2k0a h ASP 84 CO -0.02 -0.13 0.00 0.61 -1.72 0.00 0.00 179.24 177.99 2k0a n GLY 85 N -1.01 0.54 3.58 2.75 0.00 -0.71 -4.52 105.19 105.81 2k0a n GLY 85 Ca -0.09 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.64 2k0a n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k0a n PRO 87 N 8.72 1.67 -2.95 0.00 -0.04 -1.26 0.89 135.00 142.03 2k0a n PRO 87 Ca 0.32 -1.31 -0.41 0.00 -0.04 0.00 0.00 63.50 62.06 2k0a n PRO 87 Cb 0.43 -1.51 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 2k0a n PRO 87 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k0a s ARG 88 N -1.52 4.40 -0.10 0.54 0.52 -1.26 -4.60 118.95 116.92 2k0a s ARG 88 Ca 0.26 0.99 -0.28 0.00 -0.52 0.00 0.00 55.73 56.18 2k0a s ARG 88 Cb 0.20 -3.50 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 2k0a s ARG 88 CO -0.00 -0.09 0.95 0.42 0.02 0.00 0.00 175.30 176.59 2k0a s ILE 89 N 1.31 4.83 -0.08 1.52 -1.09 -0.48 -0.77 121.20 126.44 2k0a s ILE 89 Ca 0.39 1.93 -0.03 0.00 -2.23 0.00 0.00 60.65 60.72 2k0a s ILE 89 Cb -0.18 -4.26 -0.26 0.00 -1.58 0.00 0.00 42.46 36.18 2k0a s ILE 89 CO 0.17 0.05 0.51 -0.07 -1.23 0.00 0.00 174.94 174.38 2k0a h LEU 90 N 7.79 0.35 -9.49 2.97 3.38 -1.84 -3.44 115.31 115.03 2k0a h LEU 90 Ca -0.33 -0.71 -0.53 0.00 0.09 0.00 0.00 57.88 56.40 2k0a h LEU 90 Cb 1.16 -0.11 0.03 0.00 0.09 0.00 0.00 40.66 41.83 2k0a h LEU 90 CO 0.83 1.63 1.02 0.54 0.09 0.00 0.00 178.44 182.55 2k0a s ASN 91 N -6.87 6.54 -1.39 -0.43 2.20 -1.26 -2.96 114.94 110.78 2k0a s ASN 91 Ca -0.17 2.60 -0.06 0.00 -0.94 0.00 0.00 52.86 54.30 2k0a s ASN 91 Cb 0.07 -2.57 0.03 0.00 -2.00 0.00 0.00 41.25 36.78 2k0a s ASN 91 CO 0.80 -0.92 0.85 0.18 -2.94 0.00 0.00 177.10 175.07 2k0a n LEU 92 N 5.36 -2.96 -2.47 3.54 7.99 -1.26 -4.85 117.00 122.35 2k0a n LEU 92 Ca 0.16 -0.78 -0.22 0.00 -0.01 0.00 0.00 56.01 55.17 2k0a n LEU 92 Cb 0.39 -2.67 -0.12 0.00 -0.11 0.00 0.00 43.42 40.92 2k0a n LEU 92 CO 0.63 0.45 2.24 0.61 -1.51 0.00 0.00 177.39 179.81 2k0a n GLY 93 N -1.63 3.46 4.53 -0.72 0.00 -1.15 -4.61 105.19 105.07 2k0a n GLY 93 Ca -0.16 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2k0a n GLY 93 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k0a n SER 94 N 2.84 0.00 -4.72 1.61 7.64 -1.26 -4.90 113.62 114.84 2k0a n SER 94 Ca 0.56 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 60.02 2k0a n SER 94 Cb 0.67 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.84 2k0a n SER 94 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2k0a s ASN 95 N 0.00 6.71 -0.14 6.43 3.84 -1.26 -4.88 114.94 125.63 2k0a s ASN 95 Ca 0.00 2.46 0.24 0.00 0.21 0.00 0.00 52.86 55.77 2k0a s ASN 95 Cb 0.00 -2.59 0.46 0.00 -0.55 0.00 0.00 41.25 38.57 2k0a s ASN 95 CO 0.00 -0.74 1.14 -2.11 -2.79 0.00 0.00 177.10 172.60 2k0a n ARG 96 N 4.04 0.90 -3.14 0.43 -4.01 -1.26 -4.11 116.66 109.51 2k0a n ARG 96 Ca 0.13 -2.73 -0.21 0.00 -1.04 0.00 0.00 57.85 54.00 2k0a n ARG 96 Cb 0.40 -0.79 -0.05 0.00 -3.04 0.00 0.00 32.46 28.98 2k0a n ARG 96 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 2k0a n LEU 97 N -0.11 0.00 -0.26 2.89 4.77 -1.26 -5.00 117.00 118.03 2k0a n LEU 97 Ca 0.05 -4.62 0.07 0.00 -0.03 0.00 0.00 56.01 51.48 2k0a n LEU 97 Cb 0.96 0.68 0.20 0.00 -2.33 0.00 0.00 43.42 42.93 2k0a n LEU 97 CO 0.01 2.11 0.91 0.44 -1.33 0.00 0.00 177.39 179.53 2k0a h ASP 98 N 3.77 -0.09 -3.34 -1.43 3.32 -2.03 -3.35 116.42 113.27 2k0a h ASP 98 Ca 0.05 0.17 -0.65 0.00 0.02 0.00 0.00 57.03 56.62 2k0a h ASP 98 Cb 0.92 0.25 -0.26 0.00 0.22 0.00 0.00 39.33 40.46 2k0a h ASP 98 CO 0.45 -0.10 -0.72 -0.13 -1.72 0.00 0.00 179.24 177.01 2k0a s ARG 99 N -6.04 3.46 -0.11 3.56 1.81 -1.26 -5.08 118.95 115.29 2k0a s ARG 99 Ca -0.13 -0.62 -0.30 0.00 -1.72 0.00 0.00 55.73 52.97 2k0a s ARG 99 Cb 0.23 -2.83 -0.01 0.00 -0.45 0.00 0.00 34.95 31.88 2k0a s ARG 99 CO 0.76 0.09 1.06 -1.01 -0.68 0.00 0.00 175.30 175.52 2k0a s HIS 100 N 0.71 3.39 0.00 -0.53 3.76 -1.26 -4.94 115.29 116.43 2k0a s HIS 100 Ca -0.04 1.47 -0.23 0.00 -0.15 0.00 0.00 55.06 56.11 2k0a s HIS 100 Cb -0.15 -3.26 -0.18 0.00 1.11 0.00 0.00 32.58 30.10 2k0a s HIS 100 CO 0.02 -0.56 1.26 0.27 -0.85 0.00 0.00 174.74 174.89 2k0a h PHE 101 N 7.27 0.24 0.00 1.40 -5.15 -1.95 -3.45 116.94 115.29 2k0a h PHE 101 Ca -0.30 -0.08 0.00 0.00 -0.20 0.00 0.00 57.97 57.39 2k0a h PHE 101 Cb 1.14 -0.05 0.00 0.00 0.22 0.00 0.00 35.95 37.26 2k0a h PHE 101 CO 0.72 0.68 0.00 -1.91 -2.00 0.00 0.00 178.31 175.81 2k0a n GLU 102 N -4.66 0.00 -2.91 6.09 2.13 -1.26 -4.76 120.64 115.27 2k0a n GLU 102 Ca -0.08 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.35 2k0a n GLU 102 Cb 0.34 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.00 2k0a n GLU 102 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2k0a s LYS 103 N 0.00 4.61 5.11 5.31 -2.85 -1.26 -4.87 119.74 125.80 2k0a s LYS 103 Ca 0.00 1.22 0.00 0.00 -1.00 0.00 0.00 55.97 56.19 2k0a s LYS 103 Cb 0.00 -3.30 0.00 0.00 -2.06 0.00 0.00 37.83 32.47 2k0a s LYS 103 CO 0.00 0.45 0.00 1.63 0.10 0.00 0.00 175.35 177.53 2k0a n LYS 104 N 2.04 0.00 -3.76 1.78 5.02 -1.26 -4.79 118.16 117.19 2k0a n LYS 104 Ca -0.03 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.13 2k0a n LYS 104 Cb 0.49 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.38 2k0a n LYS 104 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k0a s LYS 105 N 0.00 0.26 -0.51 1.97 1.02 -1.26 -5.03 119.74 116.19 2k0a s LYS 105 Ca 0.00 0.43 -0.01 0.00 0.02 0.00 0.00 55.97 56.41 2k0a s LYS 105 Cb 0.00 0.04 0.38 0.00 -0.52 0.00 0.00 37.83 37.72 2k0a s LYS 105 CO 0.00 -0.09 2.00 1.17 -0.92 0.00 0.00 175.35 177.51 2k0a n LYS 106 N 3.47 2.30 0.00 1.68 4.81 -1.26 -5.12 118.16 124.04 2k0a n LYS 106 Ca -0.18 -2.58 0.16 0.00 -0.87 0.00 0.00 58.31 54.84 2k0a n LYS 106 Cb 0.56 -2.01 0.88 0.00 0.02 0.00 0.00 35.03 34.48 2k0a n LYS 106 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85