#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0a s GLY 0 N 0.00 2.31 -0.01 -0.02 0.00 -1.26 -4.90 107.32 103.45 2k0a s GLY 0 Ca 0.00 1.13 -0.02 0.00 0.00 0.00 0.00 44.72 45.83 2k0a s GLY 0 CO 0.00 2.16 2.49 -1.14 0.00 0.00 0.00 173.10 176.61 2k0a n SER 1 N 2.96 5.35 0.14 1.64 3.41 -1.26 -4.16 113.62 121.71 2k0a n SER 1 Ca 0.08 -2.45 0.01 0.00 -0.26 0.00 0.00 58.87 56.25 2k0a n SER 1 Cb 0.42 -1.22 0.16 0.00 -0.26 0.00 0.00 64.21 63.31 2k0a n SER 1 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2k0a h SER 2 N 1.62 0.00 -4.33 4.04 4.64 -2.06 -3.47 113.55 113.99 2k0a h SER 2 Ca 0.07 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.14 2k0a h SER 2 Cb 1.15 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.34 2k0a h SER 2 CO 0.09 0.57 -0.48 0.54 -0.87 0.00 0.00 176.83 176.68 2k0a n ARG 3 N -3.50 -4.99 0.00 4.77 1.74 -1.26 -4.90 116.66 108.52 2k0a n ARG 3 Ca 0.00 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 2k0a n ARG 3 Cb 0.65 -4.77 0.00 0.00 -1.02 0.00 0.00 32.46 27.33 2k0a n ARG 3 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2k0a n HIS 4 N -3.75 0.00 0.00 -1.55 -0.00 -1.26 -4.62 115.22 104.05 2k0a n HIS 4 Ca -0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.11 2k0a n HIS 4 Cb 0.57 0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.49 2k0a n HIS 4 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 2k0a n GLN 5 N 0.00 0.00 -0.30 1.57 7.27 -1.26 -3.80 117.38 120.86 2k0a n GLN 5 Ca 0.00 0.48 0.10 0.00 0.07 0.00 0.00 57.00 57.65 2k0a n GLN 5 Cb 0.50 -1.42 0.26 0.00 2.41 0.00 0.00 30.24 31.99 2k0a n GLN 5 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2k0a n PHE 6 N -1.94 0.78 -3.79 3.69 3.01 -1.26 -4.93 117.46 113.02 2k0a n PHE 6 Ca 0.00 -0.48 -0.24 0.00 1.01 0.00 0.00 57.45 57.74 2k0a n PHE 6 Cb 0.00 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 39.48 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 1.27 -1.56 -4.67 4.37 8.00 -1.25 -4.81 116.55 117.89 2k0a n ASP 7 Ca 0.20 -0.85 -0.42 0.00 0.71 0.00 0.00 54.79 54.43 2k0a n ASP 7 Cb 0.56 -3.83 -0.03 0.00 -0.02 0.00 0.00 41.12 37.80 2k0a n ASP 7 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k0a s LEU 8 N -6.83 4.38 -0.44 0.64 1.02 -1.26 -4.88 118.68 111.30 2k0a s LEU 8 Ca 0.11 2.48 -0.04 0.00 0.02 0.00 0.00 54.13 56.70 2k0a s LEU 8 Cb -0.06 -3.54 0.05 0.00 0.02 0.00 0.00 46.19 42.66 2k0a s LEU 8 CO 0.83 -0.97 2.81 -0.38 0.02 0.00 0.00 176.35 178.67 2k0a n ILE 9 N 5.28 3.33 -3.80 -0.59 -0.00 -1.26 -4.09 119.36 118.22 2k0a n ILE 9 Ca 0.18 -2.94 -0.13 0.00 -0.00 0.00 0.00 62.75 59.86 2k0a n ILE 9 Cb 0.41 -1.62 -0.13 0.00 -0.00 0.00 0.00 39.64 38.30 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 -1.57 0.14 0.32 0.38 0.23 -1.24 -1.70 119.30 115.86 2k0a s MET 10 Ca 0.59 0.25 0.02 0.00 -1.03 0.00 0.00 55.69 55.52 2k0a s MET 10 Cb 0.38 -0.00 0.59 0.00 -1.53 0.00 0.00 34.83 34.26 2k0a s MET 10 CO -0.21 -0.07 1.95 0.00 -2.03 0.00 0.00 175.02 174.66 2k0a n LEU 12 N -4.46 -2.16 0.00 0.00 4.77 0.24 -4.88 117.00 110.51 2k0a n LEU 12 Ca 0.11 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2k0a n LEU 12 Cb 0.15 -2.66 0.00 0.00 -2.33 0.00 0.00 43.42 38.58 2k0a n LEU 12 CO 0.34 0.14 0.00 0.29 -1.33 0.00 0.00 177.39 176.83 2k0a n LYS 13 N -3.74 -0.17 -2.72 3.23 5.02 -1.26 -4.22 118.16 114.29 2k0a n LYS 13 Ca -0.10 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.76 2k0a n LYS 13 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.58 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 -2.81 3.85 0.48 1.97 2.00 -1.26 -1.79 119.66 122.10 2k0a s GLN 14 Ca 0.00 0.67 -0.24 0.00 -2.00 0.00 0.00 55.36 53.79 2k0a s GLN 14 Cb 0.00 -3.82 -0.07 0.00 0.80 0.00 0.00 33.01 29.92 2k0a s GLN 14 CO 0.00 -1.05 1.31 -2.14 -0.50 0.00 0.00 175.29 172.91 2k0a s PRO 15 N 3.75 3.57 0.00 1.67 0.02 -1.26 -3.20 135.00 139.55 2k0a s PRO 15 Ca 0.42 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.59 2k0a s PRO 15 Cb -0.11 -2.48 0.00 0.00 0.02 0.00 0.00 34.50 31.93 2k0a s PRO 15 CO 0.21 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.48 2k0a n GLY 16 N 0.63 2.90 0.11 0.52 0.00 0.11 -4.78 105.19 104.68 2k0a n GLY 16 Ca 0.07 -1.75 -0.17 0.00 0.00 0.00 0.00 46.02 44.17 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 1.31 -2.63 1.61 3.04 -1.97 -3.44 116.25 114.16 2k0a h VAL 17 Ca 0.00 -2.90 -0.52 0.00 -1.01 0.00 0.00 66.70 62.26 2k0a h VAL 17 Cb 0.00 2.86 0.04 0.00 -2.01 0.00 0.00 31.29 32.18 2k0a h VAL 17 CO 0.00 0.85 1.04 -1.10 -1.01 0.00 0.00 177.57 177.35 2k0a s GLN 18 N -2.63 4.15 0.14 4.17 1.11 -1.26 -4.92 119.66 120.42 2k0a s GLN 18 Ca -0.07 2.54 -0.23 0.00 0.01 0.00 0.00 55.36 57.61 2k0a s GLN 18 Cb 0.07 -3.38 -0.08 0.00 -1.01 0.00 0.00 33.01 28.61 2k0a s GLN 18 CO 0.87 -0.77 0.72 0.99 0.01 0.00 0.00 175.29 177.11 2k0a s THR 19 N 2.05 4.47 -0.07 -0.19 2.01 -1.26 -0.36 115.64 122.29 2k0a s THR 19 Ca 0.77 1.55 -0.30 0.00 0.31 0.00 0.00 61.69 64.03 2k0a s THR 19 Cb -0.46 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 67.95 2k0a s THR 19 CO 0.34 0.52 1.47 -0.83 -0.69 0.00 0.00 174.62 175.42 2k0a s GLY 20 N -1.17 1.65 0.52 4.40 0.00 0.16 -4.65 107.32 108.23 2k0a s GLY 20 Ca 0.34 0.78 -0.17 0.00 0.00 0.00 0.00 44.72 45.67 2k0a s GLY 20 CO 0.24 2.73 1.00 1.08 0.00 0.00 0.00 173.10 178.16 2k0a s LEU 21 N 3.44 3.64 -0.05 0.66 1.43 -1.26 -1.13 118.68 125.42 2k0a s LEU 21 Ca 0.65 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 2k0a s LEU 21 Cb -0.29 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 41.43 2k0a s LEU 21 CO 0.24 -0.69 -0.02 -0.76 0.23 0.00 0.00 176.35 175.35 2k0a s LEU 22 N -4.04 1.07 0.33 1.79 2.01 0.32 -1.10 118.68 119.06 2k0a s LEU 22 Ca 0.61 -0.08 -0.26 0.00 0.01 0.00 0.00 54.13 54.41 2k0a s LEU 22 Cb -0.11 -0.37 -0.10 0.00 0.01 0.00 0.00 46.19 45.61 2k0a s LEU 22 CO 0.30 -0.11 0.94 0.00 1.01 0.00 0.00 176.35 178.50 2k0a h GLU 24 N 3.06 0.00 -0.42 0.00 5.08 -1.94 0.11 114.58 120.48 2k0a h GLU 24 Ca -0.47 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.81 2k0a h GLU 24 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2k0a h GLU 24 CO 0.65 0.00 -0.05 0.87 -1.00 0.00 0.00 179.01 179.47 2k0a h LYS 25 N 0.00 0.71 0.00 2.33 1.79 -1.97 -2.68 116.57 116.74 2k0a h LYS 25 Ca 0.14 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2k0a h LYS 25 Cb 0.75 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 2k0a h LYS 25 CO -0.00 0.76 -1.33 0.00 -1.08 0.00 0.00 179.45 177.79 2k0a n ASP 27 N -2.28 2.91 0.00 0.00 2.03 0.27 -0.99 116.55 118.49 2k0a n ASP 27 Ca -0.01 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.33 2k0a n ASP 27 Cb 0.51 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 2k0a n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k0a n GLY 28 N 4.12 1.56 3.71 0.27 0.00 -1.26 -4.98 105.19 108.62 2k0a n GLY 28 Ca 0.23 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 4.34 -0.17 1.61 1.02 -0.16 -4.29 119.74 122.09 2k0a s LYS 29 Ca 0.00 1.95 -0.29 0.00 0.02 0.00 0.00 55.97 57.65 2k0a s LYS 29 Cb 0.00 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 33.91 2k0a s LYS 29 CO 0.00 -0.43 1.29 0.00 -0.92 0.00 0.00 175.35 175.29 2k0a h PRO 31 N 8.36 0.60 -0.38 0.00 0.13 -1.92 0.58 132.00 139.38 2k0a h PRO 31 Ca -0.27 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.77 2k0a h PRO 31 Cb 1.11 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 2k0a h PRO 31 CO 0.97 0.40 0.05 0.82 -0.23 0.00 0.00 178.00 180.01 2k0a h ILE 32 N 0.62 1.24 0.00 -3.56 1.08 -1.91 -3.37 117.51 111.61 2k0a h ILE 32 Ca 0.40 -0.88 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 2k0a h ILE 32 Cb 0.67 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.51 2k0a h ILE 32 CO -0.16 0.30 -0.14 0.00 -0.69 0.00 0.00 178.15 177.46 2k0a n ASP 34 N -0.99 -7.03 -3.62 0.00 8.00 0.20 -5.01 116.55 108.11 2k0a n ASP 34 Ca 0.00 0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.44 2k0a n ASP 34 Cb 0.00 -4.74 -0.07 0.00 -0.02 0.00 0.00 41.12 36.30 2k0a n ASP 34 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2k0a s SER 35 N -2.75 -0.64 -0.13 -2.24 0.15 -1.25 -4.89 113.70 101.96 2k0a s SER 35 Ca 0.05 1.14 -0.03 0.00 0.70 0.00 0.00 55.95 57.81 2k0a s SER 35 Cb -0.01 1.13 -0.06 0.00 -1.71 0.00 0.00 66.02 65.37 2k0a s SER 35 CO 0.65 -0.27 2.75 -1.22 1.20 0.00 0.00 173.24 176.35 2k0a n TYR 36 N 2.23 0.51 -3.37 3.44 4.02 -1.26 -1.84 117.16 120.89 2k0a n TYR 36 Ca -0.14 -1.50 -0.28 0.00 -0.01 0.00 0.00 57.90 55.97 2k0a n TYR 36 Cb 0.56 -1.14 -0.03 0.00 -0.02 0.00 0.00 39.34 38.71 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 -0.37 5.05 -0.20 -0.72 0.11 -1.26 -4.97 120.40 118.04 2k0a s VAL 37 Ca 0.40 -0.01 -0.33 0.00 -2.93 0.00 0.00 61.98 59.11 2k0a s VAL 37 Cb 0.22 -3.74 -0.15 0.00 -1.53 0.00 0.00 36.38 31.18 2k0a s VAL 37 CO -0.04 -0.32 1.02 0.54 -3.33 0.00 0.00 175.10 172.97 2k0a n ARG 38 N -0.95 0.00 -2.47 1.54 1.74 -1.26 -4.72 116.66 110.54 2k0a n ARG 38 Ca -0.02 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.70 2k0a n ARG 38 Cb 0.54 -1.14 -0.03 0.00 -1.02 0.00 0.00 32.46 30.81 2k0a n ARG 38 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2k0a s PRO 39 N 1.18 3.99 0.00 5.56 0.04 -1.26 0.34 135.00 144.85 2k0a s PRO 39 Ca 0.74 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2k0a s PRO 39 Cb -1.05 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2k0a s PRO 39 CO 0.53 -0.30 0.00 1.17 0.04 0.00 0.00 177.00 178.44 2k0a n LYS 40 N -0.36 0.00 -3.99 4.56 3.00 0.16 -4.54 118.16 116.99 2k0a n LYS 40 Ca 0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.23 2k0a n LYS 40 Cb 0.50 -0.35 -0.14 0.00 0.00 0.00 0.00 35.03 35.03 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 -1.97 0.21 0.27 1.64 6.06 -0.96 -4.97 118.95 119.22 2k0a s ARG 41 Ca 0.00 -0.07 -0.30 0.00 -2.50 0.00 0.00 55.73 52.87 2k0a s ARG 41 Cb 0.00 -0.23 -0.10 0.00 0.06 0.00 0.00 34.95 34.68 2k0a s ARG 41 CO 0.00 0.03 1.42 0.15 -2.50 0.00 0.00 175.30 174.40 2k0a s LYS 42 N 0.08 4.27 -0.12 5.12 1.02 -1.26 0.22 119.74 129.07 2k0a s LYS 42 Ca -0.00 2.31 -0.29 0.00 0.02 0.00 0.00 55.97 58.00 2k0a s LYS 42 Cb -0.03 -3.09 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 2k0a s LYS 42 CO -0.00 -0.39 1.01 0.08 -0.92 0.00 0.00 175.35 175.13 2k0a s VAL 43 N -0.24 4.76 -0.14 3.17 1.01 0.79 -4.80 120.40 124.96 2k0a s VAL 43 Ca 0.57 2.04 -0.04 0.00 0.00 0.00 0.00 61.98 64.55 2k0a s VAL 43 Cb -0.42 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.62 2k0a s VAL 43 CO 0.46 -0.02 -0.00 -0.13 0.00 0.00 0.00 175.10 175.41 2k0a s ARG 44 N 2.17 3.51 0.36 2.72 0.52 -1.26 0.36 118.95 127.33 2k0a s ARG 44 Ca 0.48 -0.44 -0.22 0.00 -0.52 0.00 0.00 55.73 55.03 2k0a s ARG 44 Cb -0.18 -2.94 -0.10 0.00 0.52 0.00 0.00 34.95 32.24 2k0a s ARG 44 CO 0.16 0.41 0.91 0.14 0.02 0.00 0.00 175.30 176.94 2k0a s VAL 45 N -0.06 4.36 0.60 3.52 -7.23 0.51 -4.55 120.40 117.54 2k0a s VAL 45 Ca 0.03 1.56 -0.18 0.00 -1.81 0.00 0.00 61.98 61.59 2k0a s VAL 45 Cb -0.13 -3.79 -0.03 0.00 0.56 0.00 0.00 36.38 32.99 2k0a s VAL 45 CO 0.02 -0.08 1.14 0.00 -0.31 0.00 0.00 175.10 175.87 2k0a h GLU 47 N 0.71 0.30 -0.88 0.00 4.57 -1.85 -0.55 114.58 116.88 2k0a h GLU 47 Ca -0.49 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 2k0a h GLU 47 Cb 1.27 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.75 2k0a h GLU 47 CO 0.55 0.20 0.57 -0.91 -1.18 0.00 0.00 179.01 178.24 2k0a h ASN 48 N 0.30 1.03 -0.60 1.04 4.21 -1.90 -2.91 115.58 116.74 2k0a h ASN 48 Ca 0.60 -0.04 -0.48 0.00 1.21 0.00 0.00 56.30 57.59 2k0a h ASN 48 Cb 1.23 -0.26 -0.10 0.00 -1.12 0.00 0.00 38.32 38.06 2k0a h ASN 48 CO -0.60 0.76 1.05 0.00 -1.29 0.00 0.00 177.43 177.35 2k0a n SER 50 N 1.92 0.00 -4.74 0.00 2.88 -1.11 -4.44 113.62 108.13 2k0a n SER 50 Ca 0.54 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.67 2k0a n SER 50 Cb 0.56 0.33 -0.04 0.00 -0.75 0.00 0.00 64.21 64.31 2k0a n SER 50 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2k0a s PHE 51 N -1.68 3.49 0.00 0.66 -0.12 -1.15 -3.80 117.98 115.38 2k0a s PHE 51 Ca 0.00 1.52 0.00 0.00 -0.05 0.00 0.00 56.93 58.40 2k0a s PHE 51 Cb 0.00 -3.37 0.00 0.00 -0.63 0.00 0.00 43.02 39.02 2k0a s PHE 51 CO 0.00 -0.94 0.00 0.41 -0.05 0.00 0.00 175.22 174.64 2k0a n GLY 52 N 1.99 0.86 3.79 1.99 0.00 -1.26 -4.79 105.19 107.78 2k0a n GLY 52 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 2k0a n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0a s LYS 53 N 0.00 1.35 -1.14 1.61 0.00 -1.25 -5.01 119.74 115.30 2k0a s LYS 53 Ca 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 55.97 55.15 2k0a s LYS 53 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 37.83 38.27 2k0a s LYS 53 CO 0.00 -0.62 0.97 1.04 0.00 0.00 0.00 175.35 176.74 2k0a n GLN 54 N -0.51 -6.48 -0.01 1.78 6.02 -1.26 -3.19 117.38 113.72 2k0a n GLN 54 Ca -0.05 0.76 -0.02 0.00 -0.01 0.00 0.00 57.00 57.68 2k0a n GLN 54 Cb 0.60 -5.55 -0.01 0.00 1.02 0.00 0.00 30.24 26.30 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 -4.20 2.15 0.06 -1.58 0.00 -1.26 -3.62 120.51 112.06 2k0a n ALA 55 Ca -0.16 -0.09 -0.16 0.00 0.00 0.00 0.00 53.44 53.04 2k0a n ALA 55 Cb 0.62 0.46 -0.14 0.00 0.00 0.00 0.00 19.45 20.38 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 -0.02 0.23 -6.96 0.00 1.57 -1.93 -3.42 116.57 106.04 2k0a h LYS 56 Ca -0.05 -0.39 -0.53 0.00 -1.87 0.00 0.00 60.65 57.82 2k0a h LYS 56 Cb 1.07 0.14 0.08 0.00 0.08 0.00 0.00 32.23 33.60 2k0a h LYS 56 CO -0.01 1.08 0.60 0.54 -0.57 0.00 0.00 179.45 181.09 2k0a s ASN 57 N -6.93 6.21 0.09 0.86 2.20 -1.26 0.07 114.94 116.18 2k0a s ASN 57 Ca -0.08 2.63 -0.31 0.00 -0.94 0.00 0.00 52.86 54.15 2k0a s ASN 57 Cb 0.07 -2.63 -0.09 0.00 -2.00 0.00 0.00 41.25 36.60 2k0a s ASN 57 CO 0.85 -0.91 1.67 0.00 -2.94 0.00 0.00 177.10 175.76 2k0a h ILE 59 N 4.66 1.15 -0.13 0.00 3.07 -1.43 0.44 117.51 125.27 2k0a h ILE 59 Ca -0.43 -0.63 -0.20 0.00 1.55 0.00 0.00 64.86 65.15 2k0a h ILE 59 Cb 1.20 1.06 0.01 0.00 -0.27 0.00 0.00 36.82 38.83 2k0a h ILE 59 CO 0.93 0.21 -0.69 0.40 -1.05 0.00 0.00 178.15 177.95 2k0a h ILE 60 N 0.28 1.31 0.00 0.16 2.04 -1.86 -1.24 117.51 118.20 2k0a h ILE 60 Ca 0.06 -1.93 -0.16 0.00 1.00 0.00 0.00 64.86 63.83 2k0a h ILE 60 Cb 0.28 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 2k0a h ILE 60 CO 0.01 0.60 -1.65 0.00 0.00 0.00 0.00 178.15 177.11 2k0a n ASN 62 N -2.74 -4.23 0.18 0.00 5.15 0.15 -4.74 115.26 109.03 2k0a n ASN 62 Ca -0.12 -0.54 0.00 0.00 -0.60 0.00 0.00 54.58 53.32 2k0a n ASN 62 Cb 0.83 -4.75 0.00 0.00 -0.53 0.00 0.00 39.78 35.32 2k0a n ASN 62 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2k0a n LEU 63 N -4.33 -3.29 -4.78 1.20 -0.00 -1.24 -4.99 117.00 99.57 2k0a n LEU 63 Ca -0.12 0.80 -0.37 0.00 -0.00 0.00 0.00 56.01 56.32 2k0a n LEU 63 Cb 0.60 3.16 -0.02 0.00 -0.00 0.00 0.00 43.42 47.16 2k0a n LEU 63 CO 0.59 0.23 0.79 0.20 -0.00 0.00 0.00 177.39 179.20 2k0a s ASN 64 N -2.00 6.40 0.26 1.96 0.01 -1.26 -4.76 114.94 115.54 2k0a s ASN 64 Ca 0.00 2.20 -0.30 0.00 -0.71 0.00 0.00 52.86 54.06 2k0a s ASN 64 Cb 0.00 -2.60 -0.10 0.00 0.41 0.00 0.00 41.25 38.97 2k0a s ASN 64 CO 0.00 -0.75 1.37 0.54 -1.51 0.00 0.00 177.10 176.75 2k0a s VAL 65 N -1.59 2.82 0.13 1.60 0.11 -1.26 0.64 120.40 122.85 2k0a s VAL 65 Ca 0.61 0.72 -0.18 0.00 -2.93 0.00 0.00 61.98 60.20 2k0a s VAL 65 Cb -0.26 -3.46 -0.07 0.00 -1.53 0.00 0.00 36.38 31.06 2k0a s VAL 65 CO 0.32 0.13 0.61 -0.83 -3.33 0.00 0.00 175.10 172.00 2k0a s GLY 66 N 0.12 2.62 -0.04 6.54 0.00 0.11 -3.92 107.32 112.75 2k0a s GLY 66 Ca 0.56 0.03 0.01 0.00 0.00 0.00 0.00 44.72 45.32 2k0a s GLY 66 CO 0.44 0.41 -0.03 3.33 0.00 0.00 0.00 173.10 177.26 2k0a n VAL 67 N 1.24 0.21 -3.35 1.40 0.24 0.15 -4.61 118.33 113.62 2k0a n VAL 67 Ca -0.07 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 2k0a n VAL 67 Cb 0.51 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 32.21 2k0a n VAL 67 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2k0a n ASN 68 N -2.53 0.99 -4.49 -1.34 3.02 0.40 -4.78 115.26 106.52 2k0a n ASN 68 Ca -0.06 -0.85 -0.31 0.00 -0.03 0.00 0.00 54.58 53.33 2k0a n ASN 68 Cb 0.57 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.62 2k0a n ASN 68 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2k0a s ASP 69 N -0.85 3.99 0.52 6.41 1.01 -1.26 0.12 116.67 126.61 2k0a s ASP 69 Ca 0.00 -0.38 -0.18 0.00 0.71 0.00 0.00 52.55 52.69 2k0a s ASP 69 Cb 0.00 -0.70 -0.07 0.00 1.01 0.00 0.00 42.92 43.16 2k0a s ASP 69 CO 0.00 0.25 1.03 0.00 0.21 0.00 0.00 175.17 176.66 2k0a s ALA 70 N -0.98 2.87 -0.05 5.23 0.00 -0.28 -4.81 121.76 123.74 2k0a s ALA 70 Ca 0.16 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.59 2k0a s ALA 70 Cb -0.11 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.81 2k0a s ALA 70 CO 0.07 -0.44 -0.08 -0.06 0.00 0.00 0.00 175.76 175.25 2k0a s PHE 71 N -2.25 1.02 0.07 0.00 0.40 -1.26 -0.15 117.98 115.81 2k0a s PHE 71 Ca 0.64 -0.31 -0.31 0.00 -0.60 0.00 0.00 56.93 56.35 2k0a s PHE 71 Cb -0.15 -0.79 -0.07 0.00 0.51 0.00 0.00 43.02 42.53 2k0a s PHE 71 CO 0.27 -0.19 1.35 0.71 0.70 0.00 0.00 175.22 178.06 2k0a s TYR 72 N 0.64 3.19 0.68 0.36 2.02 0.13 -4.44 117.35 119.93 2k0a s TYR 72 Ca -0.10 1.00 -0.12 0.00 -0.37 0.00 0.00 57.07 57.47 2k0a s TYR 72 Cb -0.13 -3.62 0.00 0.00 -0.40 0.00 0.00 41.96 37.81 2k0a s TYR 72 CO 0.01 -2.15 1.07 0.00 -1.57 0.00 0.00 175.55 172.92 2k0a h TRP 74 N -0.46 -0.28 -0.31 0.00 7.01 -0.35 -1.19 115.95 120.37 2k0a h TRP 74 Ca -0.45 0.05 -0.12 0.00 2.11 0.00 0.00 58.89 60.49 2k0a h TRP 74 Cb 1.22 0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 28.49 2k0a h TRP 74 CO 0.60 -0.25 -0.31 1.05 -2.79 0.00 0.00 178.44 176.74 2k0a h GLU 75 N 0.01 0.65 -0.62 2.65 4.11 -1.92 0.30 114.58 119.75 2k0a h GLU 75 Ca 0.30 -0.29 -0.04 0.00 0.07 0.00 0.00 59.36 59.40 2k0a h GLU 75 Cb 0.46 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2k0a h GLU 75 CO -0.62 0.88 0.25 0.00 0.07 0.00 0.00 179.01 179.59 2k0a h ARG 78 N 0.73 0.91 -0.00 0.00 2.43 -0.07 -2.63 114.38 115.74 2k0a h ARG 78 Ca 0.10 -0.17 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 2k0a h ARG 78 Cb 0.75 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2k0a h ARG 78 CO 0.06 0.77 -0.61 1.25 -1.51 0.00 0.00 179.97 179.93 2k0a h LEU 79 N 0.84 0.01 -0.45 3.80 7.12 -0.26 -3.48 115.31 122.89 2k0a h LEU 79 Ca 0.20 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.20 2k0a h LEU 79 Cb 0.21 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 2k0a h LEU 79 CO -0.02 0.62 0.00 0.61 -0.13 0.00 0.00 178.44 179.53 2k0a n GLY 80 N 0.23 0.84 0.10 3.75 0.00 0.17 -5.01 105.19 105.27 2k0a n GLY 80 Ca -0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 2k0a n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k0a n LYS 81 N -0.23 0.67 -0.03 1.61 5.02 0.73 -4.31 118.16 121.62 2k0a n LYS 81 Ca 0.00 0.13 -0.01 0.00 -2.02 0.00 0.00 58.31 56.41 2k0a n LYS 81 Cb 0.18 -1.62 0.27 0.00 -0.02 0.00 0.00 35.03 33.84 2k0a n LYS 81 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2k0a h ASP 82 N 0.01 0.55 0.00 4.39 2.03 -1.89 -2.56 116.42 118.95 2k0a h ASP 82 Ca -0.47 -0.11 0.00 0.00 -0.73 0.00 0.00 57.03 55.73 2k0a h ASP 82 Cb 2.11 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 40.46 2k0a h ASP 82 CO 0.03 0.61 0.00 2.29 -1.03 0.00 0.00 179.24 181.14 2k0a n LYS 83 N -4.27 0.65 0.02 4.15 -0.00 -1.26 -3.34 118.16 114.10 2k0a n LYS 83 Ca 0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.26 2k0a n LYS 83 Cb 0.25 -1.13 -0.05 0.00 -0.00 0.00 0.00 35.03 34.10 2k0a n LYS 83 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2k0a h ASP 84 N 0.00 -0.13 0.00 -5.58 3.58 -1.70 -3.51 116.42 109.08 2k0a h ASP 84 Ca 0.00 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.16 2k0a h ASP 84 Cb 0.00 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2k0a h ASP 84 CO 0.00 0.47 0.00 0.61 -2.88 0.00 0.00 179.24 177.44 2k0a n GLY 85 N 1.16 -0.59 3.63 -0.78 0.00 -1.21 -4.83 105.19 102.55 2k0a n GLY 85 Ca -0.05 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 7.68 2.21 -2.43 0.00 -0.04 -1.26 0.80 135.00 141.95 2k0a n PRO 87 Ca 0.18 -2.30 -0.42 0.00 -0.04 0.00 0.00 63.50 60.93 2k0a n PRO 87 Cb 0.46 -1.93 -0.03 0.00 -0.04 0.00 0.00 33.50 31.96 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 -2.52 4.41 -0.09 0.54 0.52 -1.26 -4.76 118.95 115.79 2k0a s ARG 88 Ca 0.46 1.74 -0.29 0.00 -0.52 0.00 0.00 55.73 57.12 2k0a s ARG 88 Cb 0.35 -3.42 -0.05 0.00 0.52 0.00 0.00 34.95 32.35 2k0a s ARG 88 CO -0.06 -0.32 1.66 0.42 0.02 0.00 0.00 175.30 177.02 2k0a s ILE 89 N 1.45 3.60 0.00 1.52 -1.09 -0.47 -2.39 121.20 123.82 2k0a s ILE 89 Ca 0.58 0.71 0.00 0.00 -2.23 0.00 0.00 60.65 59.71 2k0a s ILE 89 Cb -0.28 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 2k0a s ILE 89 CO 0.27 -0.10 0.00 0.00 -1.23 0.00 0.00 174.94 173.88 2k0a n LEU 90 N 7.50 0.00 0.00 2.97 -0.00 -0.69 -4.77 117.00 122.01 2k0a n LEU 90 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.19 2k0a n LEU 90 Cb 0.43 0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 2k0a n LEU 90 CO 0.63 -0.01 0.00 -3.20 -0.00 0.00 0.00 177.39 174.81 2k0a n ASN 91 N -1.06 0.00 0.04 1.45 2.85 -1.22 -2.23 115.26 115.10 2k0a n ASN 91 Ca 0.00 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2k0a n ASN 91 Cb 0.00 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.02 2k0a n ASN 91 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2k0a n LEU 92 N 0.00 1.13 0.00 1.20 -0.00 -1.26 -4.64 117.00 113.44 2k0a n LEU 92 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 2k0a n LEU 92 Cb 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.07 2k0a n LEU 92 CO 0.00 -0.74 0.00 0.61 -0.00 0.00 0.00 177.39 177.26 2k0a n GLY 93 N 3.43 0.78 0.00 -3.96 0.00 -0.95 -4.65 105.19 99.85 2k0a n GLY 93 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2k0a n GLY 93 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k0a n SER 94 N 2.00 1.39 -3.30 1.61 2.88 -1.26 -5.03 113.62 111.90 2k0a n SER 94 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 2k0a n SER 94 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 2k0a n SER 94 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2k0a n ASN 95 N 0.00 -5.97 0.00 -3.46 4.13 -1.26 -4.80 115.26 103.90 2k0a n ASN 95 Ca 0.00 -0.41 0.00 0.00 1.68 0.00 0.00 54.58 55.85 2k0a n ASN 95 Cb 0.00 -4.78 0.00 0.00 -1.54 0.00 0.00 39.78 33.46 2k0a n ASN 95 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2k0a n ARG 96 N -4.39 1.19 -2.39 3.52 -4.01 -1.26 -4.17 116.66 105.15 2k0a n ARG 96 Ca -0.06 0.00 -0.35 0.00 -1.04 0.00 0.00 57.85 56.41 2k0a n ARG 96 Cb 0.59 -0.49 -0.02 0.00 -3.04 0.00 0.00 32.46 29.50 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 -0.80 3.84 -1.11 2.89 1.43 -1.26 -3.51 118.68 120.17 2k0a s LEU 97 Ca 0.00 2.08 -0.03 0.00 -1.03 0.00 0.00 54.13 55.16 2k0a s LEU 97 Cb 0.00 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.71 2k0a s LEU 97 CO 0.00 -0.96 0.94 -0.67 0.23 0.00 0.00 176.35 175.89 2k0a n ASP 98 N -0.99 -3.37 0.00 2.29 -0.08 -1.26 -3.63 116.55 109.52 2k0a n ASP 98 Ca 0.10 -0.52 0.00 0.00 -1.51 0.00 0.00 54.79 52.86 2k0a n ASP 98 Cb 0.51 -4.55 0.00 0.00 2.34 0.00 0.00 41.12 39.42 2k0a n ASP 98 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2k0a n ARG 99 N -4.01 0.00 -3.62 -0.67 0.63 -1.23 -4.59 116.66 103.17 2k0a n ARG 99 Ca -0.16 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.68 2k0a n ARG 99 Cb 0.62 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.46 2k0a n ARG 99 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2k0a s HIS 100 N 0.00 -0.36 -1.25 -0.14 3.76 -1.24 -4.58 115.29 111.49 2k0a s HIS 100 Ca 0.00 0.78 -0.17 0.00 -0.15 0.00 0.00 55.06 55.52 2k0a s HIS 100 Cb 0.00 0.42 -0.01 0.00 1.11 0.00 0.00 32.58 34.10 2k0a s HIS 100 CO 0.00 -0.23 2.04 0.34 -0.85 0.00 0.00 174.74 176.04 2k0a n PHE 101 N 1.54 3.33 -3.58 1.40 7.35 -1.26 -4.80 117.46 121.43 2k0a n PHE 101 Ca -0.11 -2.56 -0.15 0.00 -0.76 0.00 0.00 57.45 53.88 2k0a n PHE 101 Cb 0.57 -2.39 -0.06 0.00 0.35 0.00 0.00 39.48 37.94 2k0a n PHE 101 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2k0a s GLU 102 N 4.09 0.86 0.00 -4.13 2.56 -1.26 -4.96 118.70 115.86 2k0a s GLU 102 Ca 0.53 0.56 0.00 0.00 0.00 0.00 0.00 54.97 56.05 2k0a s GLU 102 Cb 0.11 0.41 0.00 0.00 2.00 0.00 0.00 34.13 36.65 2k0a s GLU 102 CO 0.01 -0.20 0.00 1.63 -0.56 0.00 0.00 175.26 176.14 2k0a n LYS 103 N 1.69 0.00 -2.92 4.30 4.76 -1.26 -4.84 118.16 119.90 2k0a n LYS 103 Ca -0.15 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.88 2k0a n LYS 103 Cb 0.56 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.71 2k0a n LYS 103 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2k0a s LYS 104 N 0.00 4.36 6.94 1.97 2.20 -1.26 -4.84 119.74 129.11 2k0a s LYS 104 Ca 0.00 1.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.63 2k0a s LYS 104 Cb 0.00 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 2k0a s LYS 104 CO 0.00 -0.19 0.00 1.63 -0.36 0.00 0.00 175.35 176.43 2k0a n LYS 105 N 4.70 0.00 -3.18 4.03 5.02 -1.26 -4.93 118.16 122.54 2k0a n LYS 105 Ca 0.03 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.18 2k0a n LYS 105 Cb 0.50 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.58 2k0a n LYS 105 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k0a n LYS 106 N 13.78 -5.45 0.00 1.97 4.81 -1.26 -4.96 118.16 127.05 2k0a n LYS 106 Ca 0.00 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 2k0a n LYS 106 Cb 0.00 -5.17 0.00 0.00 0.02 0.00 0.00 35.03 29.88 2k0a n LYS 106 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90