#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 -0.67 -0.21 -0.02 0.00 -1.26 -5.04 107.32 100.12 2k0a s GLY 0 Ca 0.00 2.40 0.06 0.00 0.00 0.00 0.00 44.72 47.18 2k0a s GLY 0 CO 0.00 2.62 1.08 -1.14 0.00 0.00 0.00 173.10 175.66 2k0a n SER 1 N 4.68 -0.92 -1.48 1.64 3.41 -1.26 -4.99 113.62 114.71 2k0a n SER 1 Ca -0.17 -1.72 -0.09 0.00 -0.26 0.00 0.00 58.87 56.63 2k0a n SER 1 Cb 0.56 0.49 0.05 0.00 -0.26 0.00 0.00 64.21 65.05 2k0a n SER 1 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k0a n SER 2 N -0.77 3.83 -4.63 4.04 7.64 -1.26 -4.83 113.62 117.63 2k0a n SER 2 Ca -0.11 -2.59 -0.40 0.00 1.01 0.00 0.00 58.87 56.78 2k0a n SER 2 Cb 0.71 -0.71 -0.07 0.00 -1.01 0.00 0.00 64.21 63.14 2k0a n SER 2 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2k0a s ARG 3 N -1.11 4.12 -0.28 1.43 0.52 -1.26 -5.03 118.95 117.35 2k0a s ARG 3 Ca 0.19 0.47 -0.16 0.00 -0.52 0.00 0.00 55.73 55.71 2k0a s ARG 3 Cb 0.16 -3.63 0.10 0.00 0.52 0.00 0.00 34.95 32.10 2k0a s ARG 3 CO 0.03 -0.34 0.79 -3.38 0.02 0.00 0.00 175.30 172.42 2k0a s HIS 4 N 2.25 -0.89 -0.04 -0.53 -3.43 -1.26 -5.03 115.29 106.36 2k0a s HIS 4 Ca 0.25 1.79 -0.23 0.00 -0.80 0.00 0.00 55.06 56.07 2k0a s HIS 4 Cb -0.16 0.53 -0.25 0.00 -1.43 0.00 0.00 32.58 31.27 2k0a s HIS 4 CO 0.09 -0.44 1.02 0.37 -2.00 0.00 0.00 174.74 173.78 2k0a h GLN 5 N 6.60 0.27 0.00 -0.38 -0.00 -2.00 -3.47 115.11 116.13 2k0a h GLN 5 Ca -0.29 -0.32 0.00 0.00 -0.00 0.00 0.00 58.65 58.04 2k0a h GLN 5 Cb 1.22 0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.79 2k0a h GLN 5 CO 0.17 1.04 0.00 0.34 0.00 0.00 0.00 178.83 180.38 2k0a n PHE 6 N -4.35 0.00 -2.77 3.99 7.35 -1.26 -0.63 117.46 119.79 2k0a n PHE 6 Ca -0.11 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.55 2k0a n PHE 6 Cb 0.61 0.00 0.04 0.00 0.35 0.00 0.00 39.48 40.49 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 9.74 1.62 -1.85 -2.13 8.00 -1.26 -4.96 116.55 125.71 2k0a n ASP 7 Ca 0.00 -2.26 -0.07 0.00 0.71 0.00 0.00 54.79 53.16 2k0a n ASP 7 Cb 0.00 -0.49 -0.10 0.00 -0.02 0.00 0.00 41.12 40.50 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 -0.45 5.00 -1.95 0.64 4.77 0.19 -4.49 117.00 120.71 2k0a n LEU 8 Ca 0.09 -2.77 -0.15 0.00 -0.03 0.00 0.00 56.01 53.15 2k0a n LEU 8 Cb 0.81 -1.25 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 2k0a n LEU 8 CO 0.14 1.36 1.31 -0.38 -1.33 0.00 0.00 177.39 178.48 2k0a n ILE 9 N 2.17 2.76 -4.58 -0.08 -0.00 -1.26 -4.34 119.36 114.03 2k0a n ILE 9 Ca 0.26 -1.67 -0.23 0.00 -0.00 0.00 0.00 62.75 61.11 2k0a n ILE 9 Cb 0.73 -1.52 -0.14 0.00 -0.00 0.00 0.00 39.64 38.71 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 -1.01 1.21 0.12 0.38 0.23 -1.26 -0.10 119.30 118.87 2k0a s MET 10 Ca 0.35 -0.78 -0.21 0.00 -1.03 0.00 0.00 55.69 54.02 2k0a s MET 10 Cb 0.23 -1.25 -0.06 0.00 -1.53 0.00 0.00 34.83 32.22 2k0a s MET 10 CO -0.05 0.32 1.71 0.00 -2.03 0.00 0.00 175.02 174.97 2k0a n LEU 12 N -5.19 -2.08 0.00 0.00 4.77 0.26 -4.70 117.00 110.06 2k0a n LEU 12 Ca -0.04 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 2k0a n LEU 12 Cb 0.12 -2.29 0.00 0.00 -2.33 0.00 0.00 43.42 38.92 2k0a n LEU 12 CO 0.26 0.37 0.00 0.29 -1.33 0.00 0.00 177.39 176.98 2k0a n LYS 13 N -4.51 1.27 -2.92 3.23 5.02 -1.26 -4.49 118.16 114.49 2k0a n LYS 13 Ca 0.04 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.92 2k0a n LYS 13 Cb 0.51 0.00 -0.04 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 0.35 4.26 0.26 1.97 -0.44 -1.26 -3.15 119.66 121.65 2k0a s GLN 14 Ca 0.00 0.95 -0.31 0.00 -2.50 0.00 0.00 55.36 53.50 2k0a s GLN 14 Cb 0.00 -3.59 -0.12 0.00 -1.64 0.00 0.00 33.01 27.67 2k0a s GLN 14 CO 0.00 -0.35 1.65 -2.14 0.50 0.00 0.00 175.29 174.95 2k0a s PRO 15 N 2.24 4.11 0.00 1.67 0.02 -1.26 -3.80 135.00 137.98 2k0a s PRO 15 Ca 0.36 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.99 2k0a s PRO 15 Cb -0.16 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.32 2k0a s PRO 15 CO 0.11 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 2k0a n GLY 16 N 2.86 1.15 0.10 0.52 0.00 0.73 -4.70 105.19 105.85 2k0a n GLY 16 Ca 0.11 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 2k0a n GLY 16 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2k0a n VAL 17 N 0.00 1.41 -2.64 1.61 3.14 -1.26 -4.83 118.33 115.76 2k0a n VAL 17 Ca 0.00 -0.85 -0.41 0.00 -2.96 0.00 0.00 64.34 60.12 2k0a n VAL 17 Cb 0.00 -0.53 -0.05 0.00 -1.06 0.00 0.00 33.84 32.21 2k0a n VAL 17 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2k0a s GLN 18 N -2.50 4.68 0.34 1.45 -0.21 -1.26 -4.97 119.66 117.19 2k0a s GLN 18 Ca -0.10 1.58 -0.27 0.00 0.02 0.00 0.00 55.36 56.59 2k0a s GLN 18 Cb 0.06 -3.31 -0.09 0.00 1.00 0.00 0.00 33.01 30.67 2k0a s GLN 18 CO 0.82 0.22 1.04 0.99 -2.12 0.00 0.00 175.29 176.24 2k0a s THR 19 N -0.37 3.72 -0.22 -0.19 2.01 -1.26 -1.52 115.64 117.81 2k0a s THR 19 Ca 0.47 1.50 -0.29 0.00 0.31 0.00 0.00 61.69 63.68 2k0a s THR 19 Cb -0.27 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.39 2k0a s THR 19 CO 0.33 0.18 1.03 -0.83 -0.69 0.00 0.00 174.62 174.64 2k0a s GLY 20 N -1.31 1.76 0.16 4.40 0.00 0.90 -4.67 107.32 108.57 2k0a s GLY 20 Ca 0.51 0.18 -0.10 0.00 0.00 0.00 0.00 44.72 45.31 2k0a s GLY 20 CO 0.32 2.15 0.50 1.08 0.00 0.00 0.00 173.10 177.14 2k0a s LEU 21 N 3.08 4.26 -0.14 0.66 1.43 -1.26 -0.70 118.68 126.01 2k0a s LEU 21 Ca 0.44 0.89 -0.02 0.00 -1.03 0.00 0.00 54.13 54.41 2k0a s LEU 21 Cb -0.15 -3.38 -0.02 0.00 0.03 0.00 0.00 46.19 42.67 2k0a s LEU 21 CO 0.07 0.04 -0.07 -0.76 0.23 0.00 0.00 176.35 175.86 2k0a s LEU 22 N -2.38 3.06 0.76 1.79 1.43 0.28 -1.41 118.68 122.20 2k0a s LEU 22 Ca 0.41 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 2k0a s LEU 22 Cb -0.13 -1.72 0.05 0.00 0.03 0.00 0.00 46.19 44.42 2k0a s LEU 22 CO 0.20 0.17 1.08 0.00 0.23 0.00 0.00 176.35 178.04 2k0a h GLU 24 N -1.04 0.00 -0.01 0.00 5.08 -1.95 -0.08 114.58 116.58 2k0a h GLU 24 Ca -0.44 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.76 2k0a h GLU 24 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2k0a h GLU 24 CO 0.53 0.00 -0.74 0.87 -1.00 0.00 0.00 179.01 178.67 2k0a h LYS 25 N 0.00 0.09 -0.39 2.33 1.79 -1.97 -3.08 116.57 115.35 2k0a h LYS 25 Ca 0.04 -0.09 -0.13 0.00 -2.18 0.00 0.00 60.65 58.29 2k0a h LYS 25 Cb 0.25 0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 30.84 2k0a h LYS 25 CO -0.00 0.79 0.04 0.00 -1.08 0.00 0.00 179.45 179.20 2k0a s ASP 27 N -2.07 6.74 -0.05 0.00 2.15 -0.21 -2.86 116.67 120.37 2k0a s ASP 27 Ca 0.45 2.27 0.00 0.00 0.43 0.00 0.00 52.55 55.70 2k0a s ASP 27 Cb 0.39 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.45 2k0a s ASP 27 CO 0.06 -0.80 0.00 0.61 -0.17 0.00 0.00 175.17 174.86 2k0a n GLY 28 N 3.82 0.45 3.73 2.66 0.00 -1.26 -5.04 105.19 109.55 2k0a n GLY 28 Ca 0.15 -0.74 -0.35 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 -1.46 3.69 -0.18 1.61 1.02 -1.13 -4.38 119.74 118.91 2k0a s LYS 29 Ca 0.00 -0.28 -0.29 0.00 0.02 0.00 0.00 55.97 55.42 2k0a s LYS 29 Cb 0.00 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.12 2k0a s LYS 29 CO 0.00 0.49 1.52 0.00 -0.92 0.00 0.00 175.35 176.45 2k0a h PRO 31 N 9.79 0.24 -0.18 0.00 0.13 -1.90 0.46 132.00 140.55 2k0a h PRO 31 Ca -0.33 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 2k0a h PRO 31 Cb 1.14 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2k0a h PRO 31 CO 0.99 0.16 -0.01 0.82 -0.23 0.00 0.00 178.00 179.73 2k0a h ILE 32 N 0.25 1.26 0.00 -3.56 1.08 -1.90 -3.38 117.51 111.26 2k0a h ILE 32 Ca 0.12 -0.88 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 2k0a h ILE 32 Cb 0.17 1.48 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 2k0a h ILE 32 CO -0.02 0.27 0.00 0.00 -0.69 0.00 0.00 178.15 177.70 2k0a n ASP 34 N -0.54 -7.90 -3.57 0.00 -0.08 0.16 -5.02 116.55 99.60 2k0a n ASP 34 Ca 0.00 0.28 -0.14 0.00 -1.51 0.00 0.00 54.79 53.43 2k0a n ASP 34 Cb 0.01 -5.37 -0.06 0.00 2.34 0.00 0.00 41.12 38.04 2k0a n ASP 34 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2k0a s SER 35 N -2.77 -0.53 -0.32 1.67 0.15 -1.24 -4.89 113.70 105.77 2k0a s SER 35 Ca 0.14 0.71 -0.01 0.00 0.70 0.00 0.00 55.95 57.49 2k0a s SER 35 Cb -0.04 0.60 0.17 0.00 -1.71 0.00 0.00 66.02 65.04 2k0a s SER 35 CO 0.76 -0.41 2.17 -1.22 1.20 0.00 0.00 173.24 175.75 2k0a n TYR 36 N 1.22 1.44 -2.51 3.44 4.02 -1.26 -0.88 117.16 122.63 2k0a n TYR 36 Ca -0.14 -1.91 -0.35 0.00 -0.01 0.00 0.00 57.90 55.49 2k0a n TYR 36 Cb 0.57 -1.02 -0.03 0.00 -0.02 0.00 0.00 39.34 38.84 2k0a n TYR 36 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2k0a s VAL 37 N -2.10 3.69 -0.39 -0.72 1.01 -1.26 -4.90 120.40 115.73 2k0a s VAL 37 Ca 0.35 1.13 -0.37 0.00 0.00 0.00 0.00 61.98 63.09 2k0a s VAL 37 Cb 0.25 -3.50 -0.16 0.00 0.00 0.00 0.00 36.38 32.97 2k0a s VAL 37 CO -0.04 -0.15 1.27 0.54 0.00 0.00 0.00 175.10 176.72 2k0a n ARG 38 N -0.70 0.00 -2.35 2.72 5.12 -1.26 -4.47 116.66 115.72 2k0a n ARG 38 Ca 0.08 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.62 2k0a n ARG 38 Cb 0.51 -1.19 -0.02 0.00 -1.16 0.00 0.00 32.46 30.59 2k0a n ARG 38 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2k0a s PRO 39 N 2.35 4.09 0.00 5.56 0.04 -1.26 0.10 135.00 145.88 2k0a s PRO 39 Ca 0.83 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.64 2k0a s PRO 39 Cb -1.19 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 30.69 2k0a s PRO 39 CO 0.65 -0.27 0.00 1.63 0.04 0.00 0.00 177.00 179.05 2k0a n LYS 40 N 0.07 0.00 -3.02 4.56 4.76 -0.13 -4.77 118.16 119.63 2k0a n LYS 40 Ca 0.04 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.08 2k0a n LYS 40 Cb 0.47 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.61 2k0a n LYS 40 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2k0a s ARG 41 N -0.12 4.45 0.14 1.97 1.81 -1.19 -4.88 118.95 121.13 2k0a s ARG 41 Ca 0.00 0.96 -0.30 0.00 -1.72 0.00 0.00 55.73 54.67 2k0a s ARG 41 Cb 0.00 -3.41 -0.08 0.00 -0.45 0.00 0.00 34.95 31.01 2k0a s ARG 41 CO 0.00 0.16 1.29 0.21 -0.68 0.00 0.00 175.30 176.28 2k0a s LYS 42 N 0.42 4.40 0.07 3.54 2.20 -1.26 0.43 119.74 129.54 2k0a s LYS 42 Ca 0.38 1.96 -0.31 0.00 -0.36 0.00 0.00 55.97 57.65 2k0a s LYS 42 Cb -0.19 -3.25 -0.07 0.00 -1.51 0.00 0.00 37.83 32.81 2k0a s LYS 42 CO 0.20 -0.27 1.31 0.08 -0.36 0.00 0.00 175.35 176.31 2k0a s VAL 43 N 0.57 3.67 -0.09 4.02 1.01 0.57 -4.82 120.40 125.33 2k0a s VAL 43 Ca 0.59 1.18 0.04 0.00 0.00 0.00 0.00 61.98 63.78 2k0a s VAL 43 Cb -0.34 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2k0a s VAL 43 CO 0.34 0.07 -0.22 -0.13 0.00 0.00 0.00 175.10 175.16 2k0a s ARG 44 N 1.33 2.73 0.31 2.72 0.52 -1.26 -0.07 118.95 125.22 2k0a s ARG 44 Ca 0.62 -0.78 -0.26 0.00 -0.52 0.00 0.00 55.73 54.79 2k0a s ARG 44 Cb -0.33 -2.10 -0.10 0.00 0.52 0.00 0.00 34.95 32.94 2k0a s ARG 44 CO 0.29 0.16 0.92 0.14 0.02 0.00 0.00 175.30 176.83 2k0a s VAL 45 N 0.37 4.24 0.36 3.52 -7.23 -0.57 -4.33 120.40 116.75 2k0a s VAL 45 Ca -0.17 1.78 -0.28 0.00 -1.81 0.00 0.00 61.98 61.50 2k0a s VAL 45 Cb -0.17 -4.01 -0.11 0.00 0.56 0.00 0.00 36.38 32.65 2k0a s VAL 45 CO 0.08 0.16 1.44 0.00 -0.31 0.00 0.00 175.10 176.46 2k0a h GLU 47 N 3.19 0.00 -0.15 0.00 4.57 -1.84 0.11 114.58 120.46 2k0a h GLU 47 Ca -0.50 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.67 2k0a h GLU 47 Cb 1.23 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 2k0a h GLU 47 CO 0.65 0.00 0.08 -0.91 -1.18 0.00 0.00 179.01 177.65 2k0a h ASN 48 N 0.00 0.18 0.40 1.04 4.21 -1.89 0.37 115.58 119.89 2k0a h ASN 48 Ca -0.00 -0.01 -0.31 0.00 1.21 0.00 0.00 56.30 57.19 2k0a h ASN 48 Cb 0.01 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.14 2k0a h ASN 48 CO 0.00 0.15 -1.68 0.00 -1.29 0.00 0.00 177.43 174.61 2k0a n SER 50 N -3.34 0.67 -0.00 0.00 3.41 -0.86 -4.35 113.62 109.14 2k0a n SER 50 Ca -0.20 0.27 0.10 0.00 -0.26 0.00 0.00 58.87 58.78 2k0a n SER 50 Cb 1.04 0.66 0.52 0.00 -0.26 0.00 0.00 64.21 66.18 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 0.00 0.35 -1.20 7.33 -5.15 -0.49 -3.45 116.94 114.33 2k0a h PHE 51 Ca -0.07 0.01 0.16 0.00 -0.20 0.00 0.00 57.97 57.87 2k0a h PHE 51 Cb 1.22 -0.12 -0.31 0.00 0.22 0.00 0.00 35.95 36.97 2k0a h PHE 51 CO 0.00 0.19 0.78 0.20 -2.00 0.00 0.00 178.31 177.48 2k0a s GLY 52 N -3.83 0.22 0.19 6.09 0.00 -1.26 -5.10 107.32 103.64 2k0a s GLY 52 Ca -0.07 3.28 0.00 0.00 0.00 0.00 0.00 44.72 47.93 2k0a s GLY 52 CO 0.73 1.86 0.00 1.17 0.00 0.00 0.00 173.10 176.86 2k0a n LYS 53 N 1.66 -2.77 -2.84 2.90 4.81 -1.26 -4.75 118.16 115.91 2k0a n LYS 53 Ca -0.10 2.01 -0.22 0.00 -0.87 0.00 0.00 58.31 59.13 2k0a n LYS 53 Cb 0.57 -2.19 0.02 0.00 0.02 0.00 0.00 35.03 33.44 2k0a n LYS 53 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2k0a n GLN 54 N 0.11 -3.81 -1.23 1.64 6.02 -1.26 -4.81 117.38 114.04 2k0a n GLN 54 Ca 0.00 0.91 -0.28 0.00 -0.01 0.00 0.00 57.00 57.62 2k0a n GLN 54 Cb 0.00 -5.70 0.12 0.00 1.02 0.00 0.00 30.24 25.68 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 -3.07 5.86 0.00 -1.58 0.00 -1.26 -4.15 120.51 116.31 2k0a n ALA 55 Ca -0.15 -3.05 0.00 0.00 0.00 0.00 0.00 53.44 50.24 2k0a n ALA 55 Cb 0.64 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2k0a n ALA 55 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2k0a n LYS 56 N -0.94 2.84 -1.85 0.00 0.00 -1.26 -4.99 118.16 111.96 2k0a n LYS 56 Ca 0.59 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 58.53 2k0a n LYS 56 Cb 1.13 -0.31 0.05 0.00 -0.00 0.00 0.00 35.03 35.90 2k0a n LYS 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2k0a s ASN 57 N -0.24 4.95 0.18 -5.58 2.20 -1.26 -0.39 114.94 114.80 2k0a s ASN 57 Ca 0.00 2.57 -0.31 0.00 -0.94 0.00 0.00 52.86 54.18 2k0a s ASN 57 Cb 0.00 -2.62 -0.10 0.00 -2.00 0.00 0.00 41.25 36.54 2k0a s ASN 57 CO 0.00 -1.77 1.53 0.00 -2.94 0.00 0.00 177.10 173.92 2k0a h ILE 59 N 3.95 1.25 -0.38 0.00 3.07 -1.56 0.60 117.51 124.44 2k0a h ILE 59 Ca -0.43 -0.73 -0.13 0.00 1.55 0.00 0.00 64.86 65.12 2k0a h ILE 59 Cb 1.21 0.26 -0.01 0.00 -0.27 0.00 0.00 36.82 38.00 2k0a h ILE 59 CO 0.89 0.31 -0.28 0.40 -1.05 0.00 0.00 178.15 178.42 2k0a h ILE 60 N 1.13 1.28 0.00 0.16 2.04 -1.83 -2.35 117.51 117.94 2k0a h ILE 60 Ca 0.27 -1.42 -0.22 0.00 1.00 0.00 0.00 64.86 64.49 2k0a h ILE 60 Cb 0.14 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 2k0a h ILE 60 CO -0.03 0.47 -2.15 0.00 0.00 0.00 0.00 178.15 176.44 2k0a n ASN 62 N -2.52 -4.69 0.17 0.00 5.15 0.21 -4.81 115.26 108.77 2k0a n ASN 62 Ca -0.21 -0.76 0.00 0.00 -0.60 0.00 0.00 54.58 53.01 2k0a n ASN 62 Cb 0.90 -4.74 0.00 0.00 -0.53 0.00 0.00 39.78 35.42 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 -3.72 -3.10 -4.82 1.20 -0.00 -1.25 -4.99 117.00 100.32 2k0a n LEU 63 Ca -0.15 0.75 -0.36 0.00 -0.00 0.00 0.00 56.01 56.24 2k0a n LEU 63 Cb 0.63 3.00 -0.06 0.00 -0.00 0.00 0.00 43.42 46.99 2k0a n LEU 63 CO 0.62 0.18 0.39 0.20 -0.00 0.00 0.00 177.39 178.78 2k0a s ASN 64 N -2.00 7.05 0.31 1.96 0.01 -1.26 -4.84 114.94 116.17 2k0a s ASN 64 Ca 0.00 1.38 -0.29 0.00 -0.71 0.00 0.00 52.86 53.24 2k0a s ASN 64 Cb 0.00 -2.40 -0.10 0.00 0.41 0.00 0.00 41.25 39.15 2k0a s ASN 64 CO 0.00 0.07 1.40 0.54 -1.51 0.00 0.00 177.10 177.60 2k0a s VAL 65 N -1.47 2.52 0.54 1.60 0.11 -1.26 0.11 120.40 122.56 2k0a s VAL 65 Ca 0.41 0.49 -0.19 0.00 -2.93 0.00 0.00 61.98 59.76 2k0a s VAL 65 Cb -0.17 -3.31 -0.06 0.00 -1.53 0.00 0.00 36.38 31.31 2k0a s VAL 65 CO 0.21 0.10 1.09 -0.83 -3.33 0.00 0.00 175.10 172.34 2k0a s GLY 66 N -0.09 2.47 0.07 6.54 0.00 0.48 -4.19 107.32 112.61 2k0a s GLY 66 Ca 0.54 0.66 -0.01 0.00 0.00 0.00 0.00 44.72 45.91 2k0a s GLY 66 CO 0.52 1.00 -0.02 -0.62 0.00 0.00 0.00 173.10 173.98 2k0a n VAL 67 N -1.41 1.14 -4.81 1.40 0.31 0.12 -4.79 118.33 110.28 2k0a n VAL 67 Ca 0.10 0.36 -0.33 0.00 -0.01 0.00 0.00 64.34 64.46 2k0a n VAL 67 Cb 0.52 -1.58 -0.13 0.00 -0.91 0.00 0.00 33.84 31.74 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 -5.90 4.14 0.32 4.52 0.01 -0.23 -4.80 114.94 113.00 2k0a s ASN 68 Ca -0.02 -0.20 -0.29 0.00 -0.71 0.00 0.00 52.86 51.64 2k0a s ASN 68 Cb 0.00 -1.08 -0.11 0.00 0.41 0.00 0.00 41.25 40.46 2k0a s ASN 68 CO 0.02 0.30 1.57 -1.81 -1.51 0.00 0.00 177.10 175.68 2k0a s ASP 69 N -0.48 6.35 0.56 -1.22 1.01 -1.26 0.99 116.67 122.61 2k0a s ASP 69 Ca 0.06 3.00 -0.10 0.00 0.71 0.00 0.00 52.55 56.22 2k0a s ASP 69 Cb -0.12 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.12 2k0a s ASP 69 CO 0.02 -0.91 0.94 0.00 0.21 0.00 0.00 175.17 175.42 2k0a s ALA 70 N -0.37 3.20 -0.02 5.23 0.00 0.12 -4.79 121.76 125.13 2k0a s ALA 70 Ca 0.60 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.36 2k0a s ALA 70 Cb -0.48 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 19.75 2k0a s ALA 70 CO 0.53 -0.52 -0.03 -0.06 0.00 0.00 0.00 175.76 175.68 2k0a s PHE 71 N -2.97 0.44 0.11 0.00 0.40 -1.26 -0.31 117.98 114.39 2k0a s PHE 71 Ca 0.53 -0.08 -0.31 0.00 -0.60 0.00 0.00 56.93 56.47 2k0a s PHE 71 Cb -0.11 -0.39 -0.09 0.00 0.51 0.00 0.00 43.02 42.94 2k0a s PHE 71 CO 0.49 -0.09 1.53 0.71 0.70 0.00 0.00 175.22 178.56 2k0a s TYR 72 N 0.49 2.90 0.75 0.36 2.02 0.17 -4.55 117.35 119.49 2k0a s TYR 72 Ca -0.05 0.63 -0.11 0.00 -0.37 0.00 0.00 57.07 57.17 2k0a s TYR 72 Cb -0.09 -3.86 0.04 0.00 -0.40 0.00 0.00 41.96 37.66 2k0a s TYR 72 CO -0.01 -3.21 1.08 0.00 -1.57 0.00 0.00 175.55 171.84 2k0a h TRP 74 N -0.98 -0.37 -0.69 0.00 7.01 0.47 0.26 115.95 121.64 2k0a h TRP 74 Ca -0.44 0.05 0.01 0.00 2.11 0.00 0.00 58.89 60.62 2k0a h TRP 74 Cb 1.22 0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 28.49 2k0a h TRP 74 CO 0.59 -0.25 0.46 0.93 -2.79 0.00 0.00 178.44 177.37 2k0a h GLU 75 N -0.04 0.91 -0.25 2.65 5.08 -1.92 0.31 114.58 121.32 2k0a h GLU 75 Ca 0.25 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.45 2k0a h GLU 75 Cb 0.42 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2k0a h GLU 75 CO -0.55 0.60 -0.30 0.00 -1.00 0.00 0.00 179.01 177.76 2k0a h ARG 78 N 0.63 0.37 0.00 0.00 9.65 0.01 -1.64 114.38 123.40 2k0a h ARG 78 Ca 0.07 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 58.86 2k0a h ARG 78 Cb 0.83 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.32 2k0a h ARG 78 CO 0.07 0.27 -0.29 -0.07 2.80 0.00 0.00 179.97 182.75 2k0a h LEU 79 N 0.36 0.00 -0.49 3.80 3.38 -0.81 -3.47 115.31 118.08 2k0a h LEU 79 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2k0a h LEU 79 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2k0a h LEU 79 CO -0.02 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.41 2k0a n GLY 80 N -0.47 0.92 0.01 0.83 0.00 0.81 -4.96 105.19 102.33 2k0a n GLY 80 Ca -0.02 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.56 0.06 0.24 1.61 5.02 0.73 -2.67 118.16 122.58 2k0a n LYS 81 Ca 0.00 0.02 0.11 0.00 -2.02 0.00 0.00 58.31 56.42 2k0a n LYS 81 Cb 0.36 -1.54 0.56 0.00 -0.02 0.00 0.00 35.03 34.39 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 0.00 0.00 1.15 4.39 2.03 -1.89 -1.39 116.42 120.72 2k0a h ASP 82 Ca 0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 2k0a h ASP 82 Cb 0.55 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.04 2k0a h ASP 82 CO 0.00 0.20 -0.24 0.11 -1.03 0.00 0.00 179.24 178.27 2k0a h LYS 83 N 0.00 0.00 0.73 4.15 1.57 -1.86 -3.26 116.57 117.90 2k0a h LYS 83 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2k0a h LYS 83 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 2k0a h LYS 83 CO 0.03 0.24 -0.45 -0.44 -0.57 0.00 0.00 179.45 178.26 2k0a h ASP 84 N 0.00 -1.13 0.00 0.86 3.32 -1.35 -3.49 116.42 114.63 2k0a h ASP 84 Ca -0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2k0a h ASP 84 Cb 0.89 0.33 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2k0a h ASP 84 CO 0.03 -0.69 0.00 0.61 -1.72 0.00 0.00 179.24 177.47 2k0a n GLY 85 N -1.59 0.45 3.53 2.75 0.00 -1.23 -4.45 105.19 104.65 2k0a n GLY 85 Ca -0.14 -1.23 -0.44 0.00 0.00 0.00 0.00 46.02 44.20 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 8.63 1.64 -3.10 0.00 -0.04 -1.26 0.89 135.00 141.74 2k0a n PRO 87 Ca 0.37 -1.29 -0.39 0.00 -0.04 0.00 0.00 63.50 62.15 2k0a n PRO 87 Cb 0.38 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.48 4.41 -0.06 0.54 0.52 -1.26 -4.45 118.95 117.15 2k0a s ARG 88 Ca 0.25 0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 55.98 2k0a s ARG 88 Cb 0.20 -3.42 -0.05 0.00 0.52 0.00 0.00 34.95 32.21 2k0a s ARG 88 CO 0.00 0.16 1.50 0.42 0.02 0.00 0.00 175.30 177.40 2k0a s ILE 89 N 0.50 3.76 0.00 1.52 -1.09 -0.88 -1.04 121.20 123.96 2k0a s ILE 89 Ca 0.35 0.99 0.00 0.00 -2.23 0.00 0.00 60.65 59.76 2k0a s ILE 89 Cb -0.18 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 2k0a s ILE 89 CO 0.17 -0.07 0.00 0.00 -1.23 0.00 0.00 174.94 173.82 2k0a n LEU 90 N 6.55 0.00 -2.39 2.97 -0.00 0.86 -4.79 117.00 120.21 2k0a n LEU 90 Ca 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.14 2k0a n LEU 90 Cb 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.84 2k0a n LEU 90 CO 0.60 0.00 -0.54 -3.20 -0.00 0.00 0.00 177.39 174.25 2k0a n ASN 91 N -0.38 -5.97 0.00 1.45 2.85 -1.08 -2.09 115.26 110.04 2k0a n ASN 91 Ca 0.00 1.61 0.00 0.00 -0.11 0.00 0.00 54.58 56.08 2k0a n ASN 91 Cb 0.00 -5.08 0.00 0.00 1.24 0.00 0.00 39.78 35.94 2k0a n ASN 91 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k0a n LEU 92 N 1.72 0.00 0.00 1.20 -0.00 -1.26 -1.91 117.00 116.75 2k0a n LEU 92 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 2k0a n LEU 92 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 2k0a n LEU 92 CO 0.14 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.14 2k0a n GLY 93 N 0.00 0.00 3.59 1.47 0.00 -1.26 -4.96 105.19 104.03 2k0a n GLY 93 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -2.33 -1.74 1.61 7.64 -0.80 -4.90 113.62 113.09 2k0a n SER 94 Ca 0.00 -0.78 -0.02 0.00 1.01 0.00 0.00 58.87 59.08 2k0a n SER 94 Cb 0.00 -4.36 0.01 0.00 -1.01 0.00 0.00 64.21 58.85 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 -3.06 -0.21 -3.66 6.43 0.23 -1.26 -4.71 115.26 109.01 2k0a n ASN 95 Ca -0.25 -2.05 -0.08 0.00 -0.53 0.00 0.00 54.58 51.67 2k0a n ASN 95 Cb 0.66 0.12 -0.09 0.00 -2.08 0.00 0.00 39.78 38.39 2k0a n ASN 95 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 2k0a s ARG 96 N -0.51 0.37 -1.27 -3.83 3.00 -1.26 -4.88 118.95 110.58 2k0a s ARG 96 Ca 0.15 1.07 -0.02 0.00 -1.00 0.00 0.00 55.73 55.92 2k0a s ARG 96 Cb 0.24 0.36 0.01 0.00 0.00 0.00 0.00 34.95 35.56 2k0a s ARG 96 CO -0.08 -0.23 0.97 1.28 0.00 0.00 0.00 175.30 177.24 2k0a n LEU 97 N 5.24 -3.65 0.00 -0.88 4.77 -1.26 -4.93 117.00 116.29 2k0a n LEU 97 Ca -0.11 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 2k0a n LEU 97 Cb 0.50 -2.98 0.00 0.00 -2.33 0.00 0.00 43.42 38.61 2k0a n LEU 97 CO 0.00 0.44 0.00 -0.67 -1.33 0.00 0.00 177.39 175.83 2k0a n ASP 98 N -3.08 0.00 -4.11 -1.43 2.03 -1.26 -5.00 116.55 103.70 2k0a n ASP 98 Ca -0.22 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.68 2k0a n ASP 98 Cb 0.64 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.03 2k0a n ASP 98 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2k0a n ARG 99 N 0.00 2.64 -3.67 -0.67 3.00 -1.26 -4.80 116.66 111.90 2k0a n ARG 99 Ca 0.00 -2.72 -0.12 0.00 -0.01 0.00 0.00 57.85 55.00 2k0a n ARG 99 Cb 0.00 -3.36 -0.08 0.00 0.00 0.00 0.00 32.46 29.02 2k0a n ARG 99 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2k0a s HIS 100 N 4.71 -0.72 0.23 -1.55 2.46 -1.26 -4.92 115.29 114.25 2k0a s HIS 100 Ca 0.53 1.67 -0.07 0.00 0.47 0.00 0.00 55.06 57.66 2k0a s HIS 100 Cb 0.09 0.29 0.22 0.00 -0.13 0.00 0.00 32.58 33.04 2k0a s HIS 100 CO 0.03 -0.35 1.87 0.27 -2.47 0.00 0.00 174.74 174.09 2k0a h PHE 101 N 5.62 1.22 0.00 3.88 -5.15 -1.87 -3.44 116.94 117.20 2k0a h PHE 101 Ca -0.29 -0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.47 2k0a h PHE 101 Cb 1.18 -0.40 0.00 0.00 0.22 0.00 0.00 35.95 36.95 2k0a h PHE 101 CO 0.33 0.82 0.00 0.39 -2.00 0.00 0.00 178.31 177.85 2k0a n GLU 102 N -4.36 0.00 0.00 6.09 -0.58 -1.26 -2.46 120.64 118.07 2k0a n GLU 102 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 2k0a n GLU 102 Cb 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 2k0a n GLU 102 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2k0a n LYS 103 N 3.36 0.00 -0.05 3.49 5.02 -1.26 -4.90 118.16 123.82 2k0a n LYS 103 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 2k0a n LYS 103 Cb 0.00 -0.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.50 2k0a n LYS 103 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2k0a h LYS 104 N 0.00 0.00 -2.68 1.97 1.57 -1.94 -3.40 116.57 112.08 2k0a h LYS 104 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 2k0a h LYS 104 Cb 0.89 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 2k0a h LYS 104 CO 0.00 0.00 2.42 0.36 -0.57 0.00 0.00 179.45 181.66 2k0a n LYS 105 N -3.96 3.09 -0.79 3.15 2.85 -1.19 -4.71 118.16 116.59 2k0a n LYS 105 Ca -0.04 -1.78 -0.07 0.00 -1.05 0.00 0.00 58.31 55.37 2k0a n LYS 105 Cb 0.15 -2.52 -0.09 0.00 -0.65 0.00 0.00 35.03 31.92 2k0a n LYS 105 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2k0a n LYS 106 N 3.24 1.57 0.00 -1.58 5.02 -1.03 -3.86 118.16 121.52 2k0a n LYS 106 Ca 0.66 -0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2k0a n LYS 106 Cb 0.45 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 2k0a n LYS 106 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16