#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 0.02 0.00 -0.02 0.00 -1.26 -5.15 107.32 100.92 2k0a s GLY 0 Ca 0.00 3.15 0.00 0.00 0.00 0.00 0.00 44.72 47.87 2k0a s GLY 0 CO 0.00 2.54 0.00 1.44 0.00 0.00 0.00 173.10 177.08 2k0a n SER 1 N 3.56 0.31 -0.09 1.64 7.64 -1.26 -5.01 113.62 120.40 2k0a n SER 1 Ca -0.18 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.56 2k0a n SER 1 Cb 0.57 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.74 2k0a n SER 1 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k0a h SER 2 N 0.00 0.85 -5.90 6.43 0.02 -2.01 -3.47 113.55 109.46 2k0a h SER 2 Ca 0.00 -0.49 -0.40 0.00 -0.84 0.00 0.00 61.79 60.06 2k0a h SER 2 Cb 0.00 -0.24 0.11 0.00 0.14 0.00 0.00 62.40 62.41 2k0a h SER 2 CO 0.00 1.17 -0.70 -1.14 -1.14 0.00 0.00 176.83 175.01 2k0a n ARG 3 N -4.17 -7.44 -0.06 3.45 0.63 -1.26 -4.91 116.66 102.90 2k0a n ARG 3 Ca -0.04 0.79 -0.18 0.00 -0.92 0.00 0.00 57.85 57.50 2k0a n ARG 3 Cb 0.52 -5.81 -0.13 0.00 0.45 0.00 0.00 32.46 27.49 2k0a n ARG 3 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2k0a n HIS 4 N -4.87 0.65 -4.31 -0.14 -0.00 -1.26 -5.02 115.22 100.28 2k0a n HIS 4 Ca -0.02 0.15 -0.17 0.00 0.46 0.00 0.00 57.72 58.14 2k0a n HIS 4 Cb 0.57 -1.09 -0.10 0.00 -0.12 0.00 0.00 29.99 29.25 2k0a n HIS 4 CO 0.00 0.00 0.00 1.14 0.46 0.00 0.00 176.34 177.94 2k0a s GLN 5 N -2.54 1.45 0.61 1.57 -2.07 -1.26 -5.03 119.66 112.38 2k0a s GLN 5 Ca -0.25 -1.80 0.37 0.00 -1.82 0.00 0.00 55.36 51.86 2k0a s GLN 5 Cb 0.08 -0.11 1.97 0.00 -1.09 0.00 0.00 33.01 33.86 2k0a s GLN 5 CO 0.71 -0.37 2.24 0.74 -1.32 0.00 0.00 175.29 177.29 2k0a h PHE 6 N 2.35 0.00 -2.77 9.60 -1.00 -2.03 -3.47 116.94 119.62 2k0a h PHE 6 Ca -0.36 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.42 2k0a h PHE 6 Cb 1.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.81 2k0a h PHE 6 CO 0.67 0.02 0.00 -0.25 -1.61 0.00 0.00 178.31 177.15 2k0a n ASP 7 N -3.37 -1.85 -2.99 2.17 9.92 -1.26 -5.03 116.55 114.15 2k0a n ASP 7 Ca -0.02 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 53.98 2k0a n ASP 7 Cb 0.14 -0.92 -0.04 0.00 -0.64 0.00 0.00 41.12 39.66 2k0a n ASP 7 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2k0a n LEU 8 N -0.37 3.80 -3.42 0.64 4.32 -1.26 -4.98 117.00 115.73 2k0a n LEU 8 Ca 0.00 -5.56 -0.37 0.00 -0.02 0.00 0.00 56.01 50.06 2k0a n LEU 8 Cb 0.00 -0.32 -0.02 0.00 -1.62 0.00 0.00 43.42 41.46 2k0a n LEU 8 CO 0.00 2.35 2.98 -0.38 -1.22 0.00 0.00 177.39 181.12 2k0a n ILE 9 N -0.14 3.65 -3.37 -0.08 -0.00 -1.26 -4.90 119.36 113.25 2k0a n ILE 9 Ca 0.30 -2.45 -0.32 0.00 -0.00 0.00 0.00 62.75 60.27 2k0a n ILE 9 Cb 0.44 -2.52 -0.06 0.00 -0.00 0.00 0.00 39.64 37.50 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 2.81 3.85 0.26 0.38 0.23 -1.26 -2.46 119.30 123.11 2k0a s MET 10 Ca 0.59 0.36 -0.05 0.00 -1.03 0.00 0.00 55.69 55.55 2k0a s MET 10 Cb 0.16 -2.65 0.49 0.00 -1.53 0.00 0.00 34.83 31.30 2k0a s MET 10 CO -0.05 0.32 1.64 0.00 -2.03 0.00 0.00 175.02 174.89 2k0a n LEU 12 N -5.32 -1.66 0.00 0.00 4.32 0.15 -4.82 117.00 109.67 2k0a n LEU 12 Ca 0.15 -1.03 0.00 0.00 -0.02 0.00 0.00 56.01 55.12 2k0a n LEU 12 Cb 0.52 -2.06 0.00 0.00 -1.62 0.00 0.00 43.42 40.26 2k0a n LEU 12 CO 0.05 0.28 0.00 0.29 -1.22 0.00 0.00 177.39 176.79 2k0a n LYS 13 N -4.37 0.70 -2.86 3.23 5.02 -1.26 -4.36 118.16 114.27 2k0a n LYS 13 Ca 0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 2k0a n LYS 13 Cb 0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.46 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 -0.89 3.53 0.39 1.97 2.00 -1.26 -2.49 119.66 122.91 2k0a s GLN 14 Ca 0.00 0.13 -0.26 0.00 -2.00 0.00 0.00 55.36 53.23 2k0a s GLN 14 Cb 0.00 -3.91 -0.09 0.00 0.80 0.00 0.00 33.01 29.81 2k0a s GLN 14 CO 0.00 -1.16 1.17 -1.25 -0.50 0.00 0.00 175.29 173.55 2k0a s PRO 15 N 3.58 4.13 0.00 1.67 0.04 -1.26 -4.34 135.00 138.82 2k0a s PRO 15 Ca 0.35 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2k0a s PRO 15 Cb -0.11 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.69 2k0a s PRO 15 CO 0.24 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.44 2k0a n GLY 16 N 0.67 1.69 0.00 0.56 0.00 0.11 -4.84 105.19 103.38 2k0a n GLY 16 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -1.71 1.61 3.14 -1.25 -4.92 118.33 115.20 2k0a n VAL 17 Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 2k0a n VAL 17 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 2k0a n VAL 17 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k0a n GLN 18 N -0.68 2.49 -2.93 1.45 6.02 -1.26 -4.72 117.38 117.75 2k0a n GLN 18 Ca 0.00 0.89 -0.40 0.00 -0.01 0.00 0.00 57.00 57.48 2k0a n GLN 18 Cb 0.00 -2.67 -0.06 0.00 1.02 0.00 0.00 30.24 28.54 2k0a n GLN 18 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2k0a s THR 19 N 0.53 4.40 0.11 5.09 2.01 -1.26 0.32 115.64 126.85 2k0a s THR 19 Ca 0.71 1.78 -0.30 0.00 0.31 0.00 0.00 61.69 64.19 2k0a s THR 19 Cb -0.57 -4.18 -0.06 0.00 0.01 0.00 0.00 72.50 67.71 2k0a s THR 19 CO 0.42 0.47 1.02 -0.83 -0.69 0.00 0.00 174.62 175.01 2k0a s GLY 20 N -0.85 2.89 0.14 4.40 0.00 0.80 -4.81 107.32 109.88 2k0a s GLY 20 Ca 0.38 0.66 -0.02 0.00 0.00 0.00 0.00 44.72 45.73 2k0a s GLY 20 CO 0.27 1.60 0.34 1.08 0.00 0.00 0.00 173.10 176.39 2k0a s LEU 21 N 0.16 4.27 0.00 0.66 1.43 -1.26 -0.24 118.68 123.71 2k0a s LEU 21 Ca 0.49 0.46 0.08 0.00 -1.03 0.00 0.00 54.13 54.14 2k0a s LEU 21 Cb -0.25 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 2k0a s LEU 21 CO 0.31 0.05 -0.26 -0.76 0.23 0.00 0.00 176.35 175.91 2k0a s LEU 22 N -2.84 2.09 0.54 1.79 1.43 0.29 -0.11 118.68 121.87 2k0a s LEU 22 Ca 0.39 -0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 52.81 2k0a s LEU 22 Cb -0.12 -1.32 -0.07 0.00 0.03 0.00 0.00 46.19 44.71 2k0a s LEU 22 CO 0.27 0.30 1.00 0.00 0.23 0.00 0.00 176.35 178.15 2k0a h GLU 24 N 0.76 0.20 -0.47 0.00 5.08 -1.94 0.23 114.58 118.44 2k0a h GLU 24 Ca -0.47 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 2k0a h GLU 24 Cb 1.19 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2k0a h GLU 24 CO 0.61 0.13 0.17 0.87 -1.00 0.00 0.00 179.01 179.79 2k0a h LYS 25 N 0.21 0.72 0.00 2.33 1.79 -1.97 -2.98 116.57 116.68 2k0a h LYS 25 Ca 0.35 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2k0a h LYS 25 Cb 1.08 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 2k0a h LYS 25 CO -0.07 0.67 -0.79 0.00 -1.08 0.00 0.00 179.45 178.18 2k0a n ASP 27 N -2.20 2.38 0.00 0.00 2.03 0.00 -1.47 116.55 117.29 2k0a n ASP 27 Ca 0.02 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.61 2k0a n ASP 27 Cb 0.46 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 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 6.31 2.88 3.70 0.27 0.00 -1.26 -5.00 105.19 112.10 2k0a n GLY 28 Ca 0.39 -0.35 -0.40 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 0.00 4.37 -0.13 1.61 1.02 -0.54 -3.85 119.74 122.21 2k0a s LYS 29 Ca 0.00 0.76 -0.29 0.00 0.02 0.00 0.00 55.97 56.45 2k0a s LYS 29 Cb 0.00 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2k0a s LYS 29 CO 0.00 0.00 1.53 0.00 -0.92 0.00 0.00 175.35 175.96 2k0a h PRO 31 N 9.47 0.74 -0.70 0.00 0.11 -1.91 0.63 132.00 140.35 2k0a h PRO 31 Ca -0.34 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.67 2k0a h PRO 31 Cb 1.15 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 2k0a h PRO 31 CO 0.97 0.49 0.23 0.82 -0.21 0.00 0.00 178.00 180.30 2k0a h ILE 32 N 0.76 1.26 0.00 4.15 1.08 -1.91 -3.36 117.51 119.49 2k0a h ILE 32 Ca 0.55 -0.87 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 2k0a h ILE 32 Cb 0.86 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 2k0a h ILE 32 CO -0.34 0.34 -0.88 0.00 -0.69 0.00 0.00 178.15 176.58 2k0a n ASP 34 N -1.44 -6.12 -3.56 0.00 -0.08 0.22 -5.01 116.55 100.55 2k0a n ASP 34 Ca 0.00 0.23 -0.15 0.00 -1.51 0.00 0.00 54.79 53.36 2k0a n ASP 34 Cb 0.00 -4.05 -0.06 0.00 2.34 0.00 0.00 41.12 39.35 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 -2.33 -0.60 -0.16 1.67 0.15 -1.25 -4.87 113.70 106.32 2k0a s SER 35 Ca 0.11 0.82 0.06 0.00 0.70 0.00 0.00 55.95 57.64 2k0a s SER 35 Cb -0.03 0.71 0.41 0.00 -1.71 0.00 0.00 66.02 65.40 2k0a s SER 35 CO 0.53 -0.44 1.25 -1.22 1.20 0.00 0.00 173.24 174.56 2k0a n TYR 36 N 1.36 1.24 -2.24 3.44 4.02 -1.25 -0.89 117.16 122.83 2k0a n TYR 36 Ca -0.16 -0.61 -0.36 0.00 -0.01 0.00 0.00 57.90 56.77 2k0a n TYR 36 Cb 0.57 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 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 -1.87 3.11 -0.50 -0.72 0.11 -1.26 -4.81 120.40 114.46 2k0a s VAL 37 Ca 0.29 0.73 -0.45 0.00 -2.93 0.00 0.00 61.98 59.63 2k0a s VAL 37 Cb 0.23 -3.32 -0.19 0.00 -1.53 0.00 0.00 36.38 31.56 2k0a s VAL 37 CO 0.08 -0.11 1.98 0.54 -3.33 0.00 0.00 175.10 174.26 2k0a n ARG 38 N -1.06 0.02 -2.74 1.54 1.74 -1.26 -4.68 116.66 110.23 2k0a n ARG 38 Ca 0.10 0.01 -0.35 0.00 -0.77 0.00 0.00 57.85 56.84 2k0a n ARG 38 Cb 0.50 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.36 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 5.09 4.25 0.10 5.56 0.04 -1.26 0.41 135.00 149.18 2k0a s PRO 39 Ca 1.15 1.25 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2k0a s PRO 39 Cb -1.49 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 30.69 2k0a s PRO 39 CO 0.71 -0.02 0.00 1.63 0.04 0.00 0.00 177.00 179.35 2k0a n LYS 40 N -0.32 0.00 -3.93 4.56 5.02 0.89 -4.79 118.16 119.60 2k0a n LYS 40 Ca 0.06 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.98 2k0a n LYS 40 Cb 0.52 -0.02 -0.07 0.00 -0.02 0.00 0.00 35.03 35.44 2k0a n LYS 40 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2k0a s ARG 41 N -2.00 3.51 0.20 1.97 0.52 -1.02 -4.88 118.95 117.25 2k0a s ARG 41 Ca 0.00 -0.19 -0.31 0.00 -0.52 0.00 0.00 55.73 54.72 2k0a s ARG 41 Cb 0.00 -3.17 -0.10 0.00 0.52 0.00 0.00 34.95 32.20 2k0a s ARG 41 CO 0.00 0.68 1.51 0.15 0.02 0.00 0.00 175.30 177.66 2k0a s LYS 42 N -0.76 4.24 -0.04 3.54 1.02 -1.26 0.72 119.74 127.19 2k0a s LYS 42 Ca 0.13 2.33 -0.30 0.00 0.02 0.00 0.00 55.97 58.16 2k0a s LYS 42 Cb -0.12 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 2k0a s LYS 42 CO 0.03 -0.52 1.25 0.08 -0.92 0.00 0.00 175.35 175.27 2k0a s VAL 43 N 0.59 4.11 -0.10 3.17 1.01 0.56 -4.80 120.40 124.94 2k0a s VAL 43 Ca 0.65 1.45 -0.11 0.00 0.00 0.00 0.00 61.98 63.96 2k0a s VAL 43 Cb -0.43 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 2k0a s VAL 43 CO 0.37 -0.00 0.26 -0.13 0.00 0.00 0.00 175.10 175.60 2k0a s ARG 44 N 2.27 3.84 0.22 2.72 3.00 -1.26 -0.14 118.95 129.59 2k0a s ARG 44 Ca 0.58 0.09 -0.08 0.00 0.00 0.00 0.00 55.73 56.32 2k0a s ARG 44 Cb -0.26 -3.27 -0.07 0.00 0.00 0.00 0.00 34.95 31.35 2k0a s ARG 44 CO 0.23 0.59 0.52 0.14 0.00 0.00 0.00 175.30 176.78 2k0a s VAL 45 N -0.60 4.98 0.32 3.52 -7.23 0.15 -4.38 120.40 117.17 2k0a s VAL 45 Ca 0.18 0.36 -0.23 0.00 -1.81 0.00 0.00 61.98 60.47 2k0a s VAL 45 Cb -0.14 -3.63 -0.10 0.00 0.56 0.00 0.00 36.38 33.08 2k0a s VAL 45 CO 0.07 -0.07 0.90 0.00 -0.31 0.00 0.00 175.10 175.69 2k0a h GLU 47 N 2.94 0.00 0.00 0.00 4.57 -1.90 0.26 114.58 120.45 2k0a h GLU 47 Ca -0.47 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 2k0a h GLU 47 Cb 1.19 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2k0a h GLU 47 CO 0.64 0.00 -0.03 -0.91 -1.18 0.00 0.00 179.01 177.53 2k0a h ASN 48 N 0.00 0.00 -0.83 1.04 2.35 -1.91 -2.13 115.58 114.10 2k0a h ASN 48 Ca 0.04 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.21 2k0a h ASN 48 Cb 0.26 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 38.29 2k0a h ASN 48 CO -0.00 0.03 0.01 0.00 -1.65 0.00 0.00 177.43 175.82 2k0a n SER 50 N -0.84 0.00 -1.55 0.00 3.41 -0.86 -2.84 113.62 110.94 2k0a n SER 50 Ca 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 59.11 2k0a n SER 50 Cb 0.85 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 2k0a n SER 50 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2k0a n PHE 51 N -2.44 0.17 0.00 7.33 1.16 -0.87 -4.26 117.46 118.54 2k0a n PHE 51 Ca 0.00 -1.11 0.00 0.00 -1.87 0.00 0.00 57.45 54.47 2k0a n PHE 51 Cb 0.00 -0.57 0.00 0.00 -1.61 0.00 0.00 39.48 37.30 2k0a n PHE 51 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k0a n GLY 52 N 1.39 -0.27 3.30 4.97 0.00 -1.26 -5.09 105.19 108.23 2k0a n GLY 52 Ca 0.04 0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 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 1.25 6.01 1.61 0.00 -1.26 -5.07 119.74 122.28 2k0a s LYS 53 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 55.97 54.35 2k0a s LYS 53 Cb 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 37.83 37.34 2k0a s LYS 53 CO 0.00 -0.10 0.00 1.04 0.00 0.00 0.00 175.35 176.29 2k0a n GLN 54 N -0.35 0.00 0.00 1.78 1.13 -1.26 -2.78 117.38 115.90 2k0a n GLN 54 Ca -0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 2k0a n GLN 54 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.99 2k0a n GLN 54 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k0a n ALA 55 N 9.23 0.00 -0.01 -1.58 0.00 -1.13 -3.79 120.51 123.22 2k0a n ALA 55 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2k0a n ALA 55 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 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 0.16 -7.08 0.00 1.57 -1.91 -3.35 116.57 105.96 2k0a h LYS 56 Ca 0.00 -0.28 -0.51 0.00 -1.87 0.00 0.00 60.65 57.99 2k0a h LYS 56 Cb 0.00 0.10 0.08 0.00 0.08 0.00 0.00 32.23 32.50 2k0a h LYS 56 CO 0.00 1.13 0.45 0.54 -0.57 0.00 0.00 179.45 181.00 2k0a s ASN 57 N -6.78 5.62 -0.01 0.86 6.03 -1.25 -0.81 114.94 118.60 2k0a s ASN 57 Ca -0.19 2.24 -0.35 0.00 -1.03 0.00 0.00 52.86 53.53 2k0a s ASN 57 Cb 0.02 -2.59 -0.13 0.00 -3.03 0.00 0.00 41.25 35.52 2k0a s ASN 57 CO 0.74 -1.29 1.73 0.00 -2.03 0.00 0.00 177.10 176.25 2k0a h ILE 59 N 4.67 0.41 0.00 0.00 3.07 -0.83 0.31 117.51 125.15 2k0a h ILE 59 Ca -0.47 -0.81 -0.00 0.00 1.55 0.00 0.00 64.86 65.12 2k0a h ILE 59 Cb 1.27 1.59 0.00 0.00 -0.27 0.00 0.00 36.82 39.41 2k0a h ILE 59 CO 0.92 0.14 -0.02 0.40 -1.05 0.00 0.00 178.15 178.54 2k0a h ILE 60 N 0.00 1.74 -0.00 0.16 2.04 -1.87 -2.95 117.51 116.63 2k0a h ILE 60 Ca -0.00 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.66 2k0a h ILE 60 Cb 0.58 3.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 2k0a h ILE 60 CO 0.02 0.57 -0.63 0.00 0.00 0.00 0.00 178.15 178.11 2k0a n ASN 62 N -1.11 -0.65 0.19 0.00 6.94 0.11 -4.63 115.26 116.11 2k0a n ASN 62 Ca 0.07 -1.14 0.00 0.00 -0.02 0.00 0.00 54.58 53.49 2k0a n ASN 62 Cb 0.36 -2.27 0.00 0.00 -2.36 0.00 0.00 39.78 35.51 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 -4.42 -2.78 -4.77 -4.53 -0.00 -1.25 -4.98 117.00 94.27 2k0a n LEU 63 Ca -0.18 0.70 -0.40 0.00 -0.00 0.00 0.00 56.01 56.14 2k0a n LEU 63 Cb 0.62 2.68 -0.02 0.00 -0.00 0.00 0.00 43.42 46.69 2k0a n LEU 63 CO 0.84 -0.05 0.88 0.20 -0.00 0.00 0.00 177.39 179.25 2k0a s ASN 64 N -2.68 6.77 0.24 1.96 0.01 -1.26 -4.78 114.94 115.20 2k0a s ASN 64 Ca 0.00 2.45 -0.31 0.00 -0.71 0.00 0.00 52.86 54.29 2k0a s ASN 64 Cb 0.00 -2.63 -0.11 0.00 0.41 0.00 0.00 41.25 38.92 2k0a s ASN 64 CO 0.00 -0.51 1.60 -0.69 -1.51 0.00 0.00 177.10 175.99 2k0a s VAL 65 N -1.26 2.24 0.95 1.60 1.01 -1.26 0.60 120.40 124.28 2k0a s VAL 65 Ca 0.51 0.19 -0.16 0.00 0.00 0.00 0.00 61.98 62.52 2k0a s VAL 65 Cb -0.34 -3.12 0.19 0.00 0.00 0.00 0.00 36.38 33.11 2k0a s VAL 65 CO 0.44 0.02 1.30 -0.83 0.00 0.00 0.00 175.10 176.03 2k0a s GLY 66 N 0.79 1.75 0.10 4.51 0.00 0.01 -4.20 107.32 110.27 2k0a s GLY 66 Ca 0.67 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 44.28 2k0a s GLY 66 CO 0.40 -0.38 0.00 1.55 0.00 0.00 0.00 173.10 174.67 2k0a n VAL 67 N -3.75 0.00 -3.50 1.40 3.14 0.15 -4.81 118.33 110.96 2k0a n VAL 67 Ca 0.14 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.14 2k0a n VAL 67 Cb 0.60 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.28 2k0a n VAL 67 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2k0a s ASN 68 N -2.00 6.21 0.27 6.55 0.01 -0.48 -4.76 114.94 120.74 2k0a s ASN 68 Ca 0.00 0.24 -0.31 0.00 -0.71 0.00 0.00 52.86 52.08 2k0a s ASN 68 Cb 0.00 -2.17 -0.12 0.00 0.41 0.00 0.00 41.25 39.37 2k0a s ASN 68 CO 0.00 -0.06 1.60 0.47 -1.51 0.00 0.00 177.10 177.60 2k0a n ASP 69 N 4.78 3.77 -4.77 -1.22 9.92 -1.26 0.11 116.55 127.88 2k0a n ASP 69 Ca -0.11 1.13 -0.39 0.00 -0.53 0.00 0.00 54.79 54.89 2k0a n ASP 69 Cb 0.51 -1.57 -0.04 0.00 -0.64 0.00 0.00 41.12 39.39 2k0a n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k0a s ALA 70 N 0.22 3.26 -0.08 2.24 0.00 0.67 -4.81 121.76 123.25 2k0a s ALA 70 Ca 0.67 0.88 0.03 0.00 0.00 0.00 0.00 51.96 53.53 2k0a s ALA 70 Cb -0.51 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.28 2k0a s ALA 70 CO 0.46 -0.29 -0.18 -0.06 0.00 0.00 0.00 175.76 175.69 2k0a s PHE 71 N -1.37 1.95 0.14 0.00 0.40 -1.26 -0.32 117.98 117.53 2k0a s PHE 71 Ca 0.52 -0.76 -0.31 0.00 -0.60 0.00 0.00 56.93 55.77 2k0a s PHE 71 Cb -0.29 -1.36 -0.09 0.00 0.51 0.00 0.00 43.02 41.79 2k0a s PHE 71 CO 0.37 -0.34 1.50 0.71 0.70 0.00 0.00 175.22 178.16 2k0a s TYR 72 N 0.51 3.13 0.82 0.36 2.02 0.22 -4.51 117.35 119.90 2k0a s TYR 72 Ca -0.16 0.76 -0.11 0.00 -0.37 0.00 0.00 57.07 57.18 2k0a s TYR 72 Cb -0.17 -3.83 0.08 0.00 -0.40 0.00 0.00 41.96 37.65 2k0a s TYR 72 CO 0.06 -3.00 1.09 0.00 -1.57 0.00 0.00 175.55 172.13 2k0a h TRP 74 N -1.29 1.11 -0.17 0.00 7.01 -0.32 0.25 115.95 122.56 2k0a h TRP 74 Ca -0.46 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.57 2k0a h TRP 74 Cb 1.25 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.95 2k0a h TRP 74 CO 0.52 0.39 0.10 0.93 -2.79 0.00 0.00 178.44 177.59 2k0a h GLU 75 N 0.93 0.23 -0.14 2.65 4.39 -1.92 0.18 114.58 120.89 2k0a h GLU 75 Ca 0.52 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 60.10 2k0a h GLU 75 Cb 0.60 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2k0a h GLU 75 CO -0.29 0.20 -0.34 0.00 -1.16 0.00 0.00 179.01 177.42 2k0a h ARG 78 N 0.70 0.43 -0.12 0.00 2.43 -0.43 -2.34 114.38 115.06 2k0a h ARG 78 Ca 0.18 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 2k0a h ARG 78 Cb 0.09 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2k0a h ARG 78 CO -0.03 0.33 -0.40 -0.07 -1.51 0.00 0.00 179.97 178.30 2k0a h LEU 79 N 0.42 0.27 -0.70 3.80 3.38 -1.28 -3.47 115.31 117.72 2k0a h LEU 79 Ca 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k0a h LEU 79 Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2k0a h LEU 79 CO -0.02 0.64 0.00 0.61 0.09 0.00 0.00 178.44 179.76 2k0a n GLY 80 N -0.21 0.93 0.00 0.83 0.00 0.11 -4.95 105.19 101.90 2k0a n GLY 80 Ca -0.01 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.49 0.08 0.01 1.61 5.02 -0.38 -2.43 118.16 121.58 2k0a n LYS 81 Ca 0.00 0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.23 2k0a n LYS 81 Cb 0.41 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.99 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 0.57 0.84 4.39 2.03 -1.89 -2.31 116.42 120.05 2k0a h ASP 82 Ca 0.00 -0.30 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 2k0a h ASP 82 Cb 0.43 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 2k0a h ASP 82 CO 0.00 1.00 -0.08 0.29 -1.03 0.00 0.00 179.24 179.42 2k0a n LYS 83 N -3.96 0.09 -0.08 4.15 5.02 -1.02 -3.80 118.16 118.56 2k0a n LYS 83 Ca -0.03 -0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.11 2k0a n LYS 83 Cb 0.59 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.06 2k0a n LYS 83 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2k0a h ASP 84 N 0.03 0.72 0.00 4.39 3.58 -1.27 -3.49 116.42 120.38 2k0a h ASP 84 Ca 0.00 -0.49 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2k0a h ASP 84 Cb 0.47 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2k0a h ASP 84 CO 0.00 1.06 0.00 0.61 -2.88 0.00 0.00 179.24 178.03 2k0a n GLY 85 N 0.21 -0.73 3.60 -0.78 0.00 -1.24 -4.80 105.19 101.46 2k0a n GLY 85 Ca -0.04 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 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 8.11 1.04 -2.73 0.00 -0.04 -1.26 0.33 135.00 140.45 2k0a n PRO 87 Ca 0.19 -0.13 -0.41 0.00 -0.04 0.00 0.00 63.50 63.10 2k0a n PRO 87 Cb 0.47 -1.18 -0.04 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.33 4.69 -0.12 0.54 1.81 -1.26 -4.79 118.95 120.15 2k0a s ARG 88 Ca 0.09 1.45 -0.25 0.00 -1.72 0.00 0.00 55.73 55.30 2k0a s ARG 88 Cb 0.04 -3.38 -0.02 0.00 -0.45 0.00 0.00 34.95 31.14 2k0a s ARG 88 CO 0.00 0.20 0.78 0.42 -0.68 0.00 0.00 175.30 176.02 2k0a s ILE 89 N 0.05 4.95 -0.33 1.52 -1.09 -1.11 -1.08 121.20 124.10 2k0a s ILE 89 Ca 0.47 1.56 0.16 0.00 -2.23 0.00 0.00 60.65 60.61 2k0a s ILE 89 Cb -0.23 -4.10 0.44 0.00 -1.58 0.00 0.00 42.46 36.99 2k0a s ILE 89 CO 0.30 0.12 1.21 0.00 -1.23 0.00 0.00 174.94 175.34 2k0a n LEU 90 N 4.60 -0.02 -4.68 2.97 -0.00 -1.03 -4.84 117.00 114.00 2k0a n LEU 90 Ca 0.02 -3.40 -0.45 0.00 -0.00 0.00 0.00 56.01 52.18 2k0a n LEU 90 Cb 0.50 0.26 -0.04 0.00 -0.00 0.00 0.00 43.42 44.14 2k0a n LEU 90 CO 0.48 1.57 1.43 0.59 -0.00 0.00 0.00 177.39 181.46 2k0a n ASN 91 N -0.61 3.64 0.00 1.45 4.13 -1.15 -4.26 115.26 118.46 2k0a n ASN 91 Ca 0.00 1.00 0.00 0.00 1.68 0.00 0.00 54.58 57.26 2k0a n ASN 91 Cb 0.84 -1.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.62 2k0a n ASN 91 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2k0a n LEU 92 N 5.61 0.00 0.00 3.41 7.94 -1.26 -5.02 117.00 127.68 2k0a n LEU 92 Ca 0.19 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 2k0a n LEU 92 Cb 0.33 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.28 2k0a n LEU 92 CO 0.68 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.57 2k0a n GLY 93 N 0.00 1.76 0.00 -3.96 0.00 -1.26 -4.94 105.19 96.79 2k0a n GLY 93 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 0.00 0.00 1.61 2.88 -1.26 -5.02 113.62 111.83 2k0a n SER 94 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k0a n SER 94 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 -3.59 -3.46 5.03 -1.26 -4.79 115.26 107.19 2k0a n ASN 95 Ca 0.00 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.34 2k0a n ASN 95 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 2k0a n ASN 95 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k0a s ARG 96 N 0.00 1.16 0.00 3.52 1.04 -1.26 -4.99 118.95 118.42 2k0a s ARG 96 Ca 0.00 -0.66 0.00 0.00 -1.04 0.00 0.00 55.73 54.03 2k0a s ARG 96 Cb 0.00 0.51 0.00 0.00 -2.04 0.00 0.00 34.95 33.42 2k0a s ARG 96 CO 0.00 -0.48 0.00 1.28 -0.04 0.00 0.00 175.30 176.06 2k0a n LEU 97 N -0.28 0.00 -1.76 -1.89 4.77 -1.26 -4.65 117.00 111.93 2k0a n LEU 97 Ca -0.16 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.75 2k0a n LEU 97 Cb 0.64 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.67 2k0a n LEU 97 CO 0.16 0.00 1.26 0.47 -1.33 0.00 0.00 177.39 177.95 2k0a n ASP 98 N 2.86 5.48 -1.99 -1.43 8.00 -1.26 -3.53 116.55 124.68 2k0a n ASP 98 Ca 0.00 -2.54 -0.01 0.00 0.71 0.00 0.00 54.79 52.95 2k0a n ASP 98 Cb 0.00 -1.23 0.05 0.00 -0.02 0.00 0.00 41.12 39.93 2k0a n ASP 98 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k0a n ARG 99 N 1.69 1.30 -3.73 -1.24 1.74 -1.26 -5.01 116.66 110.15 2k0a n ARG 99 Ca 0.20 -3.00 -0.12 0.00 -0.77 0.00 0.00 57.85 54.15 2k0a n ARG 99 Cb 0.65 -1.09 -0.12 0.00 -1.02 0.00 0.00 32.46 30.88 2k0a n ARG 99 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2k0a s HIS 100 N -2.30 -0.41 0.10 -1.55 3.76 -1.23 -5.05 115.29 108.60 2k0a s HIS 100 Ca 0.34 0.95 -0.14 0.00 -0.15 0.00 0.00 55.06 56.06 2k0a s HIS 100 Cb 0.36 0.14 -0.11 0.00 1.11 0.00 0.00 32.58 34.08 2k0a s HIS 100 CO -0.08 -0.24 1.37 0.27 -0.85 0.00 0.00 174.74 175.21 2k0a h PHE 101 N 6.54 0.91 -6.68 1.40 -5.15 -1.96 -3.47 116.94 108.52 2k0a h PHE 101 Ca -0.34 -0.32 -0.53 0.00 -0.20 0.00 0.00 57.97 56.58 2k0a h PHE 101 Cb 1.18 -0.17 0.02 0.00 0.22 0.00 0.00 35.95 37.19 2k0a h PHE 101 CO 0.35 1.11 -0.98 0.39 -2.00 0.00 0.00 178.31 177.17 2k0a n GLU 102 N -4.16 -0.64 0.00 6.09 1.02 -1.26 -4.32 120.64 117.37 2k0a n GLU 102 Ca -0.05 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 2k0a n GLU 102 Cb 0.56 -3.04 0.00 0.00 -0.02 0.00 0.00 31.44 28.94 2k0a n GLU 102 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k0a n LYS 103 N -4.57 0.00 0.00 3.49 5.02 -1.26 -4.88 118.16 115.96 2k0a n LYS 103 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 2k0a n LYS 103 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 2k0a n LYS 103 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k0a n LYS 104 N 13.27 0.00 -2.77 1.97 3.00 -1.26 -2.30 118.16 130.07 2k0a n LYS 104 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 2k0a n LYS 104 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 35.03 35.11 2k0a n LYS 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2k0a n LYS 105 N 0.00 1.57 -2.07 1.64 4.76 -1.26 -5.11 118.16 117.69 2k0a n LYS 105 Ca 0.00 -2.53 -0.42 0.00 -2.87 0.00 0.00 58.31 52.49 2k0a n LYS 105 Cb 0.00 -0.74 -0.03 0.00 -1.84 0.00 0.00 35.03 32.42 2k0a n LYS 105 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2k0a s LYS 106 N -2.12 4.26 0.00 1.97 2.20 -0.97 -5.13 119.74 119.94 2k0a s LYS 106 Ca 0.19 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 2k0a s LYS 106 Cb 0.38 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 2k0a s LYS 106 CO -0.08 -0.59 0.21 0.28 -0.36 0.00 0.00 175.35 174.81