#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 0.81 3.63 -0.02 0.00 -1.26 -5.12 105.19 103.23 2k0a n GLY 0 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 2k0a n GLY 0 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k0a s SER 1 N 0.00 -0.61 0.26 1.61 0.15 -1.26 -5.14 113.70 108.70 2k0a s SER 1 Ca 0.00 1.19 0.00 0.00 0.70 0.00 0.00 55.95 57.84 2k0a s SER 1 Cb 0.00 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 2k0a s SER 1 CO 0.00 -0.20 0.00 -1.20 1.20 0.00 0.00 173.24 173.04 2k0a n SER 2 N 2.48 -4.44 -4.77 5.45 7.64 -1.26 -4.90 113.62 113.82 2k0a n SER 2 Ca -0.13 0.67 -0.40 0.00 1.01 0.00 0.00 58.87 60.01 2k0a n SER 2 Cb 0.55 -1.78 -0.01 0.00 -1.01 0.00 0.00 64.21 61.96 2k0a n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k0a s ARG 3 N -4.86 4.13 0.03 1.43 1.70 -1.26 -4.95 118.95 115.17 2k0a s ARG 3 Ca 0.00 2.18 -0.24 0.00 -0.47 0.00 0.00 55.73 57.20 2k0a s ARG 3 Cb 0.00 -2.88 -0.17 0.00 -0.57 0.00 0.00 34.95 31.33 2k0a s ARG 3 CO 0.00 -0.37 1.45 1.25 -1.08 0.00 0.00 175.30 176.56 2k0a h HIS 4 N 2.96 0.08 -3.30 5.89 -0.00 -1.98 -3.42 115.15 115.38 2k0a h HIS 4 Ca -0.49 -0.01 -0.55 0.00 -0.00 0.00 0.00 60.37 59.32 2k0a h HIS 4 Cb 1.24 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.60 2k0a h HIS 4 CO 0.54 0.36 0.49 1.14 -0.00 0.00 0.00 177.93 180.46 2k0a s GLN 5 N -4.96 4.48 0.00 5.26 -2.07 -1.26 -5.02 119.66 116.09 2k0a s GLN 5 Ca -0.15 1.49 0.00 0.00 -1.82 0.00 0.00 55.36 54.89 2k0a s GLN 5 Cb 0.04 -3.48 0.00 0.00 -1.09 0.00 0.00 33.01 28.48 2k0a s GLN 5 CO 0.68 -0.20 0.00 1.19 -1.32 0.00 0.00 175.29 175.64 2k0a n PHE 6 N 4.35 0.00 0.48 9.60 3.01 -1.26 -4.65 117.46 128.99 2k0a n PHE 6 Ca 0.08 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.57 2k0a n PHE 6 Cb 0.49 0.00 0.14 0.00 -0.01 0.00 0.00 39.48 40.10 2k0a n PHE 6 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2k0a n ASP 7 N 0.00 2.47 -2.89 4.37 8.00 -1.26 -4.31 116.55 122.93 2k0a n ASP 7 Ca 0.00 -2.27 -0.31 0.00 0.71 0.00 0.00 54.79 52.92 2k0a n ASP 7 Cb 0.00 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 40.56 2k0a n ASP 7 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k0a n LEU 8 N 0.24 7.24 -4.56 0.64 4.77 -1.26 -4.44 117.00 119.63 2k0a n LEU 8 Ca 0.10 -4.22 -0.17 0.00 -0.03 0.00 0.00 56.01 51.70 2k0a n LEU 8 Cb 0.52 -1.38 -0.07 0.00 -2.33 0.00 0.00 43.42 40.15 2k0a n LEU 8 CO 0.11 1.91 1.23 -0.63 -1.33 0.00 0.00 177.39 178.67 2k0a s ILE 9 N -0.27 3.11 0.26 -0.08 1.09 -1.26 -4.78 121.20 119.27 2k0a s ILE 9 Ca 0.62 -0.12 -0.30 0.00 -1.10 0.00 0.00 60.65 59.75 2k0a s ILE 9 Cb 0.26 -3.43 -0.10 0.00 -1.06 0.00 0.00 42.46 38.13 2k0a s ILE 9 CO -0.10 -0.23 1.39 -0.32 -0.10 0.00 0.00 174.94 175.58 2k0a s MET 10 N 8.38 4.30 0.14 2.79 -2.45 -1.26 -1.62 119.30 129.59 2k0a s MET 10 Ca 0.86 2.25 -0.27 0.00 -1.25 0.00 0.00 55.69 57.27 2k0a s MET 10 Cb -0.10 -3.11 -0.06 0.00 1.25 0.00 0.00 34.83 32.81 2k0a s MET 10 CO 0.08 -0.35 1.37 0.00 1.05 0.00 0.00 175.02 177.17 2k0a n LEU 12 N -5.11 -1.67 0.00 0.00 4.32 0.17 -4.80 117.00 109.91 2k0a n LEU 12 Ca 0.02 -1.06 0.00 0.00 -0.02 0.00 0.00 56.01 54.95 2k0a n LEU 12 Cb 0.23 -2.02 0.00 0.00 -1.62 0.00 0.00 43.42 40.01 2k0a n LEU 12 CO -0.14 0.32 0.00 0.29 -1.22 0.00 0.00 177.39 176.64 2k0a n LYS 13 N -4.38 3.54 -3.29 3.23 5.02 -1.26 -4.52 118.16 116.50 2k0a n LYS 13 Ca -0.05 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.81 2k0a n LYS 13 Cb 0.55 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.48 2k0a n LYS 13 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2k0a s GLN 14 N 2.52 3.25 0.24 1.97 2.00 -1.26 -3.67 119.66 124.71 2k0a s GLN 14 Ca 0.00 -0.58 -0.31 0.00 -2.00 0.00 0.00 55.36 52.47 2k0a s GLN 14 Cb 0.00 -3.92 -0.13 0.00 0.80 0.00 0.00 33.01 29.75 2k0a s GLN 14 CO 0.00 -0.81 1.40 -2.30 -0.50 0.00 0.00 175.29 173.08 2k0a n PRO 15 N 5.70 2.02 0.00 1.67 -0.02 -1.26 -2.82 135.00 140.29 2k0a n PRO 15 Ca -0.06 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2k0a n PRO 15 Cb 0.48 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2k0a n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k0a n GLY 16 N 2.14 1.68 0.12 -1.23 0.00 0.19 -4.60 105.19 103.48 2k0a n GLY 16 Ca 0.12 -1.69 -0.15 0.00 0.00 0.00 0.00 46.02 44.29 2k0a n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k0a n VAL 17 N 0.00 1.53 -2.57 1.61 0.24 -1.26 -4.80 118.33 113.09 2k0a n VAL 17 Ca 0.00 -0.70 -0.40 0.00 -2.04 0.00 0.00 64.34 61.20 2k0a n VAL 17 Cb 0.00 -1.16 -0.05 0.00 -1.47 0.00 0.00 33.84 31.16 2k0a n VAL 17 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2k0a s GLN 18 N -2.53 4.68 -0.02 7.34 -0.21 -1.26 -4.94 119.66 122.72 2k0a s GLN 18 Ca -0.22 1.68 -0.25 0.00 0.02 0.00 0.00 55.36 56.59 2k0a s GLN 18 Cb 0.08 -3.25 -0.04 0.00 1.00 0.00 0.00 33.01 30.80 2k0a s GLN 18 CO 0.72 0.25 0.79 0.99 -2.12 0.00 0.00 175.29 175.92 2k0a s THR 19 N -0.84 4.92 0.29 -0.19 2.01 -1.26 -1.67 115.64 118.90 2k0a s THR 19 Ca 0.45 1.65 -0.29 0.00 0.31 0.00 0.00 61.69 63.81 2k0a s THR 19 Cb -0.29 -4.13 -0.10 0.00 0.01 0.00 0.00 72.50 67.99 2k0a s THR 19 CO 0.36 0.26 1.36 -0.83 -0.69 0.00 0.00 174.62 175.09 2k0a s GLY 20 N 0.63 2.69 0.28 4.40 0.00 -0.63 -4.82 107.32 109.87 2k0a s GLY 20 Ca 0.41 1.28 0.07 0.00 0.00 0.00 0.00 44.72 46.49 2k0a s GLY 20 CO 0.22 2.08 0.22 1.08 0.00 0.00 0.00 173.10 176.70 2k0a s LEU 21 N -1.09 3.71 -0.08 0.66 1.43 -1.26 -0.93 118.68 121.12 2k0a s LEU 21 Ca 0.54 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 2k0a s LEU 21 Cb -0.40 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.55 2k0a s LEU 21 CO 0.48 -0.14 -0.20 -0.76 0.23 0.00 0.00 176.35 175.96 2k0a s LEU 22 N -3.89 1.94 0.74 1.79 1.43 0.27 -0.10 118.68 120.87 2k0a s LEU 22 Ca 0.35 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 2k0a s LEU 22 Cb -0.07 -1.18 0.04 0.00 0.03 0.00 0.00 46.19 45.00 2k0a s LEU 22 CO 0.25 0.13 1.08 0.00 0.23 0.00 0.00 176.35 178.04 2k0a h GLU 24 N -0.93 0.00 0.10 0.00 5.08 -1.96 -0.86 114.58 116.01 2k0a h GLU 24 Ca -0.45 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.64 2k0a h GLU 24 Cb 1.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.49 2k0a h GLU 24 CO 0.56 0.00 -1.17 0.87 -1.00 0.00 0.00 179.01 178.26 2k0a h LYS 25 N 0.00 0.41 -0.74 2.33 1.57 -1.95 -3.18 116.57 115.01 2k0a h LYS 25 Ca 0.00 -0.58 -0.42 0.00 -1.87 0.00 0.00 60.65 57.78 2k0a h LYS 25 Cb 0.09 0.20 -0.24 0.00 0.08 0.00 0.00 32.23 32.36 2k0a h LYS 25 CO 0.00 1.24 0.30 0.00 -0.57 0.00 0.00 179.45 180.42 2k0a s ASP 27 N -2.04 6.91 -0.40 0.00 2.15 -0.43 -3.35 116.67 119.51 2k0a s ASP 27 Ca 0.53 2.21 0.00 0.00 0.43 0.00 0.00 52.55 55.72 2k0a s ASP 27 Cb 0.45 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 2k0a s ASP 27 CO 0.04 -0.60 0.00 0.61 -0.17 0.00 0.00 175.17 175.06 2k0a n GLY 28 N 3.41 0.28 3.29 2.66 0.00 -1.26 -5.04 105.19 108.53 2k0a n GLY 28 Ca 0.11 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.91 3.25 -0.05 1.61 1.02 -1.21 -4.09 119.74 116.37 2k0a s LYS 29 Ca 0.00 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 2k0a s LYS 29 Cb 0.00 -2.62 -0.07 0.00 -0.52 0.00 0.00 37.83 34.62 2k0a s LYS 29 CO 0.00 0.07 1.92 0.00 -0.92 0.00 0.00 175.35 176.42 2k0a h PRO 31 N 11.17 0.80 -0.04 0.00 0.11 -1.88 0.65 132.00 142.80 2k0a h PRO 31 Ca -0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2k0a h PRO 31 Cb 1.22 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2k0a h PRO 31 CO 0.95 0.53 0.02 0.82 -0.21 0.00 0.00 178.00 180.11 2k0a h ILE 32 N 0.82 1.14 -0.00 4.15 1.08 -1.89 -3.36 117.51 119.44 2k0a h ILE 32 Ca 0.41 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 2k0a h ILE 32 Cb 0.48 1.33 0.00 0.00 -3.07 0.00 0.00 36.82 35.56 2k0a h ILE 32 CO -0.18 0.11 -0.16 0.00 -0.69 0.00 0.00 178.15 177.24 2k0a n ASP 34 N -0.88 -6.73 -3.70 0.00 2.03 0.23 -5.01 116.55 102.49 2k0a n ASP 34 Ca 0.01 -0.13 -0.14 0.00 0.52 0.00 0.00 54.79 55.05 2k0a n ASP 34 Cb 0.07 -4.59 -0.09 0.00 -0.72 0.00 0.00 41.12 35.79 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 -2.90 -0.46 0.00 1.67 0.15 -1.22 -4.87 113.70 106.07 2k0a s SER 35 Ca 0.05 0.78 0.24 0.00 0.70 0.00 0.00 55.95 57.72 2k0a s SER 35 Cb -0.01 0.81 1.02 0.00 -1.71 0.00 0.00 66.02 66.13 2k0a s SER 35 CO 0.63 -0.27 1.71 -1.22 1.20 0.00 0.00 173.24 175.28 2k0a n TYR 36 N 2.32 0.09 -1.50 3.44 4.02 -1.26 -0.09 117.16 124.18 2k0a n TYR 36 Ca -0.16 -0.05 -0.35 0.00 -0.01 0.00 0.00 57.90 57.34 2k0a n TYR 36 Cb 0.57 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.98 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 -1.91 2.08 0.02 -0.72 0.11 -1.26 -4.81 120.40 113.91 2k0a s VAL 37 Ca 0.35 0.04 -0.21 0.00 -2.93 0.00 0.00 61.98 59.24 2k0a s VAL 37 Cb 0.18 -2.78 -0.11 0.00 -1.53 0.00 0.00 36.38 32.15 2k0a s VAL 37 CO 0.29 -0.02 0.54 0.54 -3.33 0.00 0.00 175.10 173.12 2k0a n ARG 38 N -2.47 0.00 0.00 1.54 5.12 -1.26 -4.69 116.66 114.90 2k0a n ARG 38 Ca 0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 2k0a n ARG 38 Cb 0.49 -0.78 0.00 0.00 -1.16 0.00 0.00 32.46 31.01 2k0a n ARG 38 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2k0a n PRO 39 N 0.78 0.89 0.01 5.56 -0.04 -1.26 0.06 135.00 141.00 2k0a n PRO 39 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2k0a n PRO 39 Cb 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.52 2k0a n PRO 39 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2k0a n LYS 40 N -0.10 0.00 -3.63 0.54 3.00 0.01 -3.29 118.16 114.69 2k0a n LYS 40 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 2k0a n LYS 40 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 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 -2.00 0.83 0.41 1.64 3.52 -1.22 -4.98 118.95 117.15 2k0a s ARG 41 Ca 0.00 0.56 -0.26 0.00 -0.13 0.00 0.00 55.73 55.90 2k0a s ARG 41 Cb 0.00 0.39 -0.09 0.00 -1.56 0.00 0.00 34.95 33.69 2k0a s ARG 41 CO 0.00 -0.17 1.42 0.15 -0.81 0.00 0.00 175.30 175.89 2k0a s LYS 42 N -0.33 3.89 0.20 5.12 1.02 -1.26 0.19 119.74 128.58 2k0a s LYS 42 Ca -0.05 2.42 -0.30 0.00 0.02 0.00 0.00 55.97 58.07 2k0a s LYS 42 Cb -0.03 -2.79 -0.08 0.00 -0.52 0.00 0.00 37.83 34.41 2k0a s LYS 42 CO 0.04 -0.65 1.01 0.14 -0.92 0.00 0.00 175.35 174.98 2k0a s VAL 43 N -1.18 4.00 -0.25 3.17 -7.23 0.10 -4.75 120.40 114.26 2k0a s VAL 43 Ca 0.57 1.86 -0.07 0.00 -1.81 0.00 0.00 61.98 62.53 2k0a s VAL 43 Cb -0.44 -4.18 -0.03 0.00 0.56 0.00 0.00 36.38 32.29 2k0a s VAL 43 CO 0.57 0.38 0.06 -0.13 -0.31 0.00 0.00 175.10 175.68 2k0a s ARG 44 N -0.77 3.63 0.35 4.82 0.52 -1.26 -1.60 118.95 124.64 2k0a s ARG 44 Ca 0.45 -0.49 -0.24 0.00 -0.52 0.00 0.00 55.73 54.93 2k0a s ARG 44 Cb -0.27 -3.31 -0.10 0.00 0.52 0.00 0.00 34.95 31.79 2k0a s ARG 44 CO 0.34 -0.20 0.92 0.54 0.02 0.00 0.00 175.30 176.92 2k0a s VAL 45 N 1.61 4.31 0.81 3.52 0.11 -0.67 -4.26 120.40 125.83 2k0a s VAL 45 Ca 0.06 1.64 -0.11 0.00 -2.93 0.00 0.00 61.98 60.65 2k0a s VAL 45 Cb -0.15 -3.85 0.08 0.00 -1.53 0.00 0.00 36.38 30.92 2k0a s VAL 45 CO 0.03 -0.01 1.10 0.00 -3.33 0.00 0.00 175.10 172.89 2k0a h GLU 47 N -1.28 0.00 -1.64 0.00 4.81 -1.77 -0.42 114.58 114.28 2k0a h GLU 47 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2k0a h GLU 47 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2k0a h GLU 47 CO 0.50 0.02 0.00 0.09 -0.73 0.00 0.00 179.01 178.89 2k0a n ASN 48 N -4.46 3.89 0.00 1.04 4.13 -1.26 -2.34 115.26 116.26 2k0a n ASN 48 Ca -0.03 -2.05 0.00 0.00 1.68 0.00 0.00 54.58 54.18 2k0a n ASN 48 Cb 0.11 -0.77 0.00 0.00 -1.54 0.00 0.00 39.78 37.58 2k0a n ASN 48 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k0a n SER 50 N -1.33 4.94 0.09 0.00 3.41 -0.40 -4.13 113.62 116.20 2k0a n SER 50 Ca 0.00 -3.11 -0.08 0.00 -0.26 0.00 0.00 58.87 55.42 2k0a n SER 50 Cb 0.00 -0.85 -0.01 0.00 -0.26 0.00 0.00 64.21 63.08 2k0a n SER 50 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 2k0a h PHE 51 N 1.06 0.26 0.00 7.33 -5.15 -1.74 -3.47 116.94 115.23 2k0a h PHE 51 Ca 0.39 -0.14 0.00 0.00 -0.20 0.00 0.00 57.97 58.01 2k0a h PHE 51 Cb 1.59 -0.03 0.00 0.00 0.22 0.00 0.00 35.95 37.74 2k0a h PHE 51 CO 0.98 0.97 0.00 0.41 -2.00 0.00 0.00 178.31 178.67 2k0a n GLY 52 N 0.90 0.00 3.68 6.09 0.00 -1.26 -5.09 105.19 109.51 2k0a n GLY 52 Ca -0.03 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2k0a n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k0a s LYS 53 N 0.00 4.31 -0.82 1.61 2.47 -1.26 -3.27 119.74 122.78 2k0a s LYS 53 Ca 0.00 1.75 -0.01 0.00 -1.56 0.00 0.00 55.97 56.15 2k0a s LYS 53 Cb 0.00 -3.62 -0.01 0.00 -1.46 0.00 0.00 37.83 32.75 2k0a s LYS 53 CO 0.00 -0.54 0.68 1.04 0.16 0.00 0.00 175.35 176.69 2k0a n GLN 54 N 5.59 -4.10 -0.07 4.03 6.02 -1.26 -4.96 117.38 122.62 2k0a n GLN 54 Ca 0.12 0.59 -0.08 0.00 -0.01 0.00 0.00 57.00 57.62 2k0a n GLN 54 Cb 0.45 -4.78 -0.10 0.00 1.02 0.00 0.00 30.24 26.83 2k0a n GLN 54 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k0a n ALA 55 N -3.09 1.65 -0.10 -1.58 0.00 -1.20 -4.48 120.51 111.70 2k0a n ALA 55 Ca -0.18 -0.87 0.08 0.00 0.00 0.00 0.00 53.44 52.47 2k0a n ALA 55 Cb 0.61 -0.01 0.28 0.00 0.00 0.00 0.00 19.45 20.33 2k0a n ALA 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k0a n LYS 56 N -2.64 3.05 -2.43 0.00 5.02 -1.26 -4.80 118.16 115.10 2k0a n LYS 56 Ca -0.25 -2.23 -0.35 0.00 -2.02 0.00 0.00 58.31 53.46 2k0a n LYS 56 Cb 0.92 -1.72 -0.02 0.00 -0.02 0.00 0.00 35.03 34.19 2k0a n LYS 56 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2k0a s ASN 57 N -0.83 6.25 -0.06 4.39 2.20 -1.26 -0.35 114.94 125.28 2k0a s ASN 57 Ca 0.40 2.07 -0.30 0.00 -0.94 0.00 0.00 52.86 54.09 2k0a s ASN 57 Cb 0.25 -2.58 -0.08 0.00 -2.00 0.00 0.00 41.25 36.85 2k0a s ASN 57 CO 0.20 -0.85 2.05 0.00 -2.94 0.00 0.00 177.10 175.57 2k0a h ILE 59 N 6.11 0.89 -0.13 0.00 3.07 -0.82 0.75 117.51 127.37 2k0a h ILE 59 Ca -0.47 -0.02 -0.12 0.00 1.55 0.00 0.00 64.86 65.80 2k0a h ILE 59 Cb 1.24 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 38.63 2k0a h ILE 59 CO 0.95 0.01 -0.39 0.40 -1.05 0.00 0.00 178.15 178.07 2k0a h ILE 60 N 0.05 1.36 0.00 0.16 2.04 -1.81 -0.09 117.51 119.23 2k0a h ILE 60 Ca 0.13 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.30 2k0a h ILE 60 Cb 0.45 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2k0a h ILE 60 CO -0.01 0.51 -1.24 0.00 0.00 0.00 0.00 178.15 177.40 2k0a n ASN 62 N -1.70 -4.62 0.10 0.00 0.23 0.26 -4.61 115.26 104.93 2k0a n ASN 62 Ca 0.02 0.33 0.00 0.00 -0.53 0.00 0.00 54.58 54.39 2k0a n ASN 62 Cb 0.38 -3.83 0.00 0.00 -2.08 0.00 0.00 39.78 34.25 2k0a n ASN 62 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2k0a n LEU 63 N -1.65 0.25 -4.77 -4.53 -0.00 -1.25 -4.91 117.00 100.14 2k0a n LEU 63 Ca -0.13 0.32 -0.39 0.00 -0.00 0.00 0.00 56.01 55.81 2k0a n LEU 63 Cb 0.53 0.13 -0.03 0.00 -0.00 0.00 0.00 43.42 44.04 2k0a n LEU 63 CO 0.20 -0.74 0.83 0.20 -0.00 0.00 0.00 177.39 177.88 2k0a s ASN 64 N -5.23 6.85 0.24 1.96 0.01 -1.26 -4.78 114.94 112.73 2k0a s ASN 64 Ca 0.00 2.34 -0.31 0.00 -0.71 0.00 0.00 52.86 54.18 2k0a s ASN 64 Cb 0.00 -2.62 -0.11 0.00 0.41 0.00 0.00 41.25 38.93 2k0a s ASN 64 CO 0.00 -0.45 1.57 -0.69 -1.51 0.00 0.00 177.10 176.02 2k0a s VAL 65 N -1.31 2.33 0.27 1.60 1.01 -1.26 -0.07 120.40 122.97 2k0a s VAL 65 Ca 0.51 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.47 2k0a s VAL 65 Cb -0.32 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 2k0a s VAL 65 CO 0.40 0.03 1.13 -0.83 0.00 0.00 0.00 175.10 175.84 2k0a s GLY 66 N 0.70 3.01 -0.06 4.51 0.00 0.52 -3.95 107.32 112.04 2k0a s GLY 66 Ca 0.65 0.93 -0.09 0.00 0.00 0.00 0.00 44.72 46.22 2k0a s GLY 66 CO 0.41 1.58 -0.18 -0.62 0.00 0.00 0.00 173.10 174.29 2k0a n VAL 67 N 1.37 1.24 -4.20 1.40 0.31 0.15 -4.76 118.33 113.82 2k0a n VAL 67 Ca -0.00 0.17 -0.35 0.00 -0.01 0.00 0.00 64.34 64.15 2k0a n VAL 67 Cb 0.45 -1.91 -0.09 0.00 -0.91 0.00 0.00 33.84 31.37 2k0a n VAL 67 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2k0a s ASN 68 N -6.02 5.49 0.15 4.52 0.01 -0.40 -4.82 114.94 113.86 2k0a s ASN 68 Ca -0.16 0.16 -0.31 0.00 -0.71 0.00 0.00 52.86 51.84 2k0a s ASN 68 Cb 0.03 -1.72 -0.10 0.00 0.41 0.00 0.00 41.25 39.88 2k0a s ASN 68 CO 0.22 0.32 1.60 -1.81 -1.51 0.00 0.00 177.10 175.92 2k0a s ASP 69 N -0.51 6.57 0.37 -1.22 1.11 -1.26 0.95 116.67 122.68 2k0a s ASP 69 Ca 0.10 2.61 -0.25 0.00 0.18 0.00 0.00 52.55 55.18 2k0a s ASP 69 Cb -0.12 -2.59 -0.09 0.00 1.07 0.00 0.00 42.92 41.19 2k0a s ASP 69 CO 0.02 -0.85 1.08 0.00 1.18 0.00 0.00 175.17 176.60 2k0a s ALA 70 N 1.49 3.17 -0.08 5.23 0.00 -0.11 -4.83 121.76 126.64 2k0a s ALA 70 Ca 0.71 0.79 0.03 0.00 0.00 0.00 0.00 51.96 53.49 2k0a s ALA 70 Cb -0.43 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 2k0a s ALA 70 CO 0.32 -0.25 -0.17 -0.06 0.00 0.00 0.00 175.76 175.59 2k0a s PHE 71 N -1.50 2.66 0.21 0.00 0.40 -1.26 0.02 117.98 118.50 2k0a s PHE 71 Ca 0.55 -0.48 -0.31 0.00 -0.60 0.00 0.00 56.93 56.08 2k0a s PHE 71 Cb -0.26 -1.69 -0.10 0.00 0.51 0.00 0.00 43.02 41.48 2k0a s PHE 71 CO 0.32 -0.06 1.50 0.71 0.70 0.00 0.00 175.22 178.39 2k0a s TYR 72 N -0.21 3.04 0.59 0.36 2.02 0.13 -4.53 117.35 118.75 2k0a s TYR 72 Ca -0.00 0.85 -0.16 0.00 -0.37 0.00 0.00 57.07 57.39 2k0a s TYR 72 Cb -0.13 -3.86 -0.04 0.00 -0.40 0.00 0.00 41.96 37.52 2k0a s TYR 72 CO 0.03 -2.99 1.05 0.00 -1.57 0.00 0.00 175.55 172.07 2k0a h TRP 74 N 0.44 0.94 -0.71 0.00 7.01 -0.36 -1.71 115.95 121.55 2k0a h TRP 74 Ca -0.47 0.03 0.01 0.00 2.11 0.00 0.00 58.89 60.58 2k0a h TRP 74 Cb 1.22 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 27.96 2k0a h TRP 74 CO 0.59 0.29 0.47 0.93 -2.79 0.00 0.00 178.44 177.93 2k0a h GLU 75 N 0.78 0.91 -0.51 2.65 5.08 -1.92 0.34 114.58 121.91 2k0a h GLU 75 Ca 0.48 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.66 2k0a h GLU 75 Cb 0.60 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2k0a h GLU 75 CO -0.32 0.60 -0.16 0.00 -1.00 0.00 0.00 179.01 178.13 2k0a h ARG 78 N 0.25 0.58 -0.12 0.00 9.65 -0.17 -3.03 114.38 121.54 2k0a h ARG 78 Ca -0.02 -0.11 -0.23 0.00 -1.10 0.00 0.00 59.98 58.53 2k0a h ARG 78 Cb 1.20 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 29.70 2k0a h ARG 78 CO 0.11 0.56 -0.83 -0.07 2.80 0.00 0.00 179.97 182.54 2k0a h LEU 79 N 0.47 0.90 0.00 3.80 3.38 -1.05 -3.48 115.31 119.33 2k0a h LEU 79 Ca 0.13 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2k0a h LEU 79 Cb 0.20 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2k0a h LEU 79 CO -0.01 1.41 0.00 0.61 0.09 0.00 0.00 178.44 180.54 2k0a n GLY 80 N 0.76 1.95 0.12 0.83 0.00 0.10 -5.01 105.19 103.95 2k0a n GLY 80 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -0.19 1.61 1.57 -0.49 -3.23 116.57 115.84 2k0a h LYS 81 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2k0a h LYS 81 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2k0a h LYS 81 CO 0.00 0.45 -0.06 0.38 -0.57 0.00 0.00 179.45 179.65 2k0a h ASP 82 N 0.00 0.26 -0.47 0.86 2.03 -1.86 -1.07 116.42 116.17 2k0a h ASP 82 Ca -0.05 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.21 2k0a h ASP 82 Cb 1.44 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.87 2k0a h ASP 82 CO 0.06 0.36 0.00 2.29 -1.03 0.00 0.00 179.24 180.92 2k0a n LYS 83 N -4.32 2.24 -0.03 4.15 2.85 -1.23 -4.13 118.16 117.68 2k0a n LYS 83 Ca -0.00 -1.90 -0.13 0.00 -1.05 0.00 0.00 58.31 55.22 2k0a n LYS 83 Cb 0.22 -1.44 -0.09 0.00 -0.65 0.00 0.00 35.03 33.08 2k0a n LYS 83 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2k0a h ASP 84 N 3.28 0.18 0.00 -5.58 3.32 -1.21 -3.50 116.42 112.92 2k0a h ASP 84 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2k0a h ASP 84 Cb 0.74 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.24 2k0a h ASP 84 CO 0.00 0.70 0.00 0.61 -1.72 0.00 0.00 179.24 178.83 2k0a n GLY 85 N 0.39 -0.38 3.68 2.75 0.00 -1.26 -4.69 105.19 105.68 2k0a n GLY 85 Ca -0.08 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 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 5.89 2.17 -2.77 0.00 -0.04 -1.26 0.44 135.00 139.44 2k0a n PRO 87 Ca 0.15 -1.43 -0.39 0.00 -0.04 0.00 0.00 63.50 61.78 2k0a n PRO 87 Cb 0.43 -1.70 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.67 4.76 -0.49 0.54 0.52 -1.26 -4.58 118.95 116.77 2k0a s ARG 88 Ca 0.26 1.42 -0.16 0.00 -0.52 0.00 0.00 55.73 56.73 2k0a s ARG 88 Cb 0.21 -3.13 0.08 0.00 0.52 0.00 0.00 34.95 32.63 2k0a s ARG 88 CO 0.06 0.45 0.45 0.42 0.02 0.00 0.00 175.30 176.69 2k0a s ILE 89 N -1.32 5.17 0.00 1.52 -1.09 -0.05 -0.21 121.20 125.23 2k0a s ILE 89 Ca 0.44 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 2k0a s ILE 89 Cb -0.24 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 2k0a s ILE 89 CO 0.29 -0.65 0.05 0.00 -1.23 0.00 0.00 174.94 173.40 2k0a n LEU 90 N 5.37 0.10 0.00 2.97 -0.00 -1.25 -4.51 117.00 119.68 2k0a n LEU 90 Ca -0.12 -0.19 0.00 0.00 -0.00 0.00 0.00 56.01 55.70 2k0a n LEU 90 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 2k0a n LEU 90 CO 0.49 0.02 0.00 0.59 -0.00 0.00 0.00 177.39 178.50 2k0a n ASN 91 N -0.18 0.00 -3.77 1.45 5.03 -0.64 -4.74 115.26 112.41 2k0a n ASN 91 Ca 0.00 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.32 2k0a n ASN 91 Cb 0.06 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 38.71 2k0a n ASN 91 CO 0.00 0.00 0.00 -1.48 -1.83 0.00 0.00 177.26 173.95 2k0a s LEU 92 N 0.00 0.85 -0.28 3.41 -0.00 -1.26 -4.58 118.68 116.82 2k0a s LEU 92 Ca 0.00 0.60 -0.03 0.00 -0.00 0.00 0.00 54.13 54.70 2k0a s LEU 92 Cb 0.00 1.02 0.03 0.00 -0.00 0.00 0.00 46.19 47.24 2k0a s LEU 92 CO 0.00 -0.11 2.65 0.61 -0.00 0.00 0.00 176.35 179.51 2k0a n GLY 93 N 2.96 3.83 3.57 -3.48 0.00 -1.26 -4.72 105.19 106.09 2k0a n GLY 93 Ca -0.13 -1.34 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 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 1.11 -5.61 0.05 1.61 7.64 -1.26 -4.71 113.62 112.45 2k0a n SER 94 Ca 0.37 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2k0a n SER 94 Cb 0.63 -5.04 0.00 0.00 -1.01 0.00 0.00 64.21 58.79 2k0a n SER 94 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2k0a n ASN 95 N -3.04 -0.87 0.00 6.43 6.94 -1.26 -5.05 115.26 118.42 2k0a n ASN 95 Ca -0.04 0.23 0.00 0.00 -0.02 0.00 0.00 54.58 54.75 2k0a n ASN 95 Cb 0.58 1.09 0.00 0.00 -2.36 0.00 0.00 39.78 39.09 2k0a n ASN 95 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 2k0a n ARG 96 N -2.63 0.00 -2.08 -3.83 -4.01 -1.26 -4.87 116.66 97.98 2k0a n ARG 96 Ca 0.00 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.39 2k0a n ARG 96 Cb 0.00 -0.49 -0.03 0.00 -3.04 0.00 0.00 32.46 28.90 2k0a n ARG 96 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2k0a s LEU 97 N 0.00 4.37 0.00 2.89 1.43 -1.26 -4.87 118.68 121.24 2k0a s LEU 97 Ca 0.00 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 2k0a s LEU 97 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2k0a s LEU 97 CO 0.00 -0.70 1.69 0.47 0.23 0.00 0.00 176.35 178.03 2k0a n ASP 98 N 3.71 4.58 -2.99 2.29 9.92 -1.26 -4.55 116.55 128.26 2k0a n ASP 98 Ca 0.11 -2.24 -0.32 0.00 -0.53 0.00 0.00 54.79 51.81 2k0a n ASP 98 Cb 0.41 -0.94 -0.06 0.00 -0.64 0.00 0.00 41.12 39.89 2k0a n ASP 98 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2k0a n ARG 99 N 1.32 3.37 -0.03 -1.24 1.74 -1.26 -4.69 116.66 115.86 2k0a n ARG 99 Ca 0.00 -2.10 0.00 0.00 -0.77 0.00 0.00 57.85 54.98 2k0a n ARG 99 Cb 0.47 -2.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.35 2k0a n ARG 99 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2k0a n HIS 100 N 2.96 0.00 -1.89 -1.55 8.25 -1.26 -4.06 115.22 117.67 2k0a n HIS 100 Ca 0.67 -0.35 -0.36 0.00 -0.26 0.00 0.00 57.72 57.42 2k0a n HIS 100 Cb 0.41 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.30 2k0a n HIS 100 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2k0a n PHE 101 N 0.79 2.50 -0.10 4.41 3.01 -1.26 -4.73 117.46 122.09 2k0a n PHE 101 Ca 0.00 -2.27 -0.10 0.00 1.01 0.00 0.00 57.45 56.09 2k0a n PHE 101 Cb 0.32 -1.30 -0.02 0.00 -0.01 0.00 0.00 39.48 38.47 2k0a n PHE 101 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2k0a h GLU 102 N 3.28 0.45 -6.27 -1.08 5.08 -1.82 -3.34 114.58 110.87 2k0a h GLU 102 Ca 0.52 -0.07 -0.56 0.00 -1.00 0.00 0.00 59.36 58.26 2k0a h GLU 102 Cb 0.29 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2k0a h GLU 102 CO 1.24 0.43 0.58 0.15 -1.00 0.00 0.00 179.01 180.41 2k0a s LYS 103 N -5.66 4.42 -1.30 2.33 1.02 -1.26 -4.00 119.74 115.28 2k0a s LYS 103 Ca -0.13 1.44 -0.03 0.00 0.02 0.00 0.00 55.97 57.27 2k0a s LYS 103 Cb 0.09 -3.54 0.01 0.00 -0.52 0.00 0.00 37.83 33.87 2k0a s LYS 103 CO 0.73 -0.32 0.89 1.63 -0.92 0.00 0.00 175.35 177.35 2k0a n LYS 104 N 4.98 -5.91 -0.85 1.68 5.02 -1.26 -4.81 118.16 117.02 2k0a n LYS 104 Ca 0.09 0.72 0.12 0.00 -2.02 0.00 0.00 58.31 57.21 2k0a n LYS 104 Cb 0.48 -5.53 -0.03 0.00 -0.02 0.00 0.00 35.03 29.94 2k0a n LYS 104 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k0a n LYS 105 N -4.36 -1.71 -2.89 1.97 5.02 -1.25 -4.73 118.16 110.22 2k0a n LYS 105 Ca -0.22 1.12 -0.40 0.00 -2.02 0.00 0.00 58.31 56.79 2k0a n LYS 105 Cb 0.64 -2.08 -0.05 0.00 -0.02 0.00 0.00 35.03 33.53 2k0a n LYS 105 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k0a s LYS 106 N -1.31 4.56 0.00 1.97 3.01 -1.25 -4.62 119.74 122.09 2k0a s LYS 106 Ca 0.00 1.20 0.00 0.00 -1.01 0.00 0.00 55.97 56.16 2k0a s LYS 106 Cb 0.00 -3.38 0.00 0.00 -1.01 0.00 0.00 37.83 33.44 2k0a s LYS 106 CO 0.00 0.21 0.02 1.33 0.51 0.00 0.00 175.35 177.42