#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 0.60 1.95 -0.02 0.00 -1.26 -4.97 105.19 101.49 2k0a n GLY 0 Ca 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 2k0a n GLY 0 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k0a n SER 1 N 0.00 6.08 -1.96 1.61 7.64 -1.26 -4.68 113.62 121.05 2k0a n SER 1 Ca 0.00 -3.19 -0.12 0.00 1.01 0.00 0.00 58.87 56.57 2k0a n SER 1 Cb 0.00 -0.97 -0.10 0.00 -1.01 0.00 0.00 64.21 62.13 2k0a n SER 1 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k0a n SER 2 N -0.08 5.53 -3.74 6.43 7.64 -1.26 -4.76 113.62 123.39 2k0a n SER 2 Ca 0.38 -2.62 -0.14 0.00 1.01 0.00 0.00 58.87 57.50 2k0a n SER 2 Cb 0.73 -1.30 -0.15 0.00 -1.01 0.00 0.00 64.21 62.48 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 0.18 0.09 -0.12 1.43 1.70 -1.26 -5.04 118.95 115.92 2k0a s ARG 3 Ca 0.49 0.40 -0.16 0.00 -0.47 0.00 0.00 55.73 55.99 2k0a s ARG 3 Cb 0.26 -0.19 -0.26 0.00 -0.57 0.00 0.00 34.95 34.19 2k0a s ARG 3 CO -0.03 -0.19 0.48 0.45 -1.08 0.00 0.00 175.30 174.93 2k0a h HIS 4 N 7.40 0.37 -2.89 5.89 3.86 -2.02 -3.51 115.15 124.25 2k0a h HIS 4 Ca -0.39 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 58.55 2k0a h HIS 4 Cb 1.14 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.59 2k0a h HIS 4 CO 0.43 1.57 -0.64 0.94 0.86 0.00 0.00 177.93 181.08 2k0a n GLN 5 N -3.95 -3.59 -0.85 2.45 7.27 -1.26 -4.98 117.38 112.47 2k0a n GLN 5 Ca -0.27 2.62 0.03 0.00 0.07 0.00 0.00 57.00 59.45 2k0a n GLN 5 Cb 0.88 -2.82 0.04 0.00 2.41 0.00 0.00 30.24 30.75 2k0a n GLN 5 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2k0a n PHE 6 N 0.45 0.00 -0.10 3.69 7.35 -1.26 -4.69 117.46 122.90 2k0a n PHE 6 Ca 0.00 -0.44 -0.20 0.00 -0.76 0.00 0.00 57.45 56.05 2k0a n PHE 6 Cb 0.00 -0.12 -0.11 0.00 0.35 0.00 0.00 39.48 39.61 2k0a n PHE 6 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2k0a h ASP 7 N 0.48 0.00 -6.10 -2.13 3.32 -2.01 -3.49 116.42 106.48 2k0a h ASP 7 Ca -0.09 -0.48 -0.26 0.00 0.02 0.00 0.00 57.03 56.22 2k0a h ASP 7 Cb 1.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.07 2k0a h ASP 7 CO 0.04 1.41 -0.74 0.18 -1.72 0.00 0.00 179.24 178.41 2k0a n LEU 8 N -4.46 -4.34 0.00 1.55 4.32 -1.26 -5.00 117.00 107.82 2k0a n LEU 8 Ca -0.29 -0.30 0.01 0.00 -0.02 0.00 0.00 56.01 55.41 2k0a n LEU 8 Cb 0.64 -2.36 0.00 0.00 -1.62 0.00 0.00 43.42 40.08 2k0a n LEU 8 CO 0.19 -0.57 0.33 2.30 -1.22 0.00 0.00 177.39 178.42 2k0a n ILE 9 N -1.46 0.00 -2.57 -0.08 -6.64 -1.26 -4.79 119.36 102.56 2k0a n ILE 9 Ca -0.11 -0.05 -0.39 0.00 -1.77 0.00 0.00 62.75 60.44 2k0a n ILE 9 Cb 0.60 0.17 -0.05 0.00 -1.44 0.00 0.00 39.64 38.93 2k0a n ILE 9 CO 0.00 0.00 0.00 -0.32 -1.77 0.00 0.00 176.55 174.46 2k0a s MET 10 N -2.00 4.52 0.19 6.28 -2.45 -1.17 -0.88 119.30 123.78 2k0a s MET 10 Ca 0.09 1.61 -0.20 0.00 -1.25 0.00 0.00 55.69 55.94 2k0a s MET 10 Cb -0.00 -2.96 0.13 0.00 1.25 0.00 0.00 34.83 33.26 2k0a s MET 10 CO -0.00 0.16 1.59 0.00 1.05 0.00 0.00 175.02 177.81 2k0a n LEU 12 N -5.44 -1.11 0.00 0.00 7.94 0.31 -4.77 117.00 113.94 2k0a n LEU 12 Ca 0.04 -1.18 0.00 0.00 -1.11 0.00 0.00 56.01 53.76 2k0a n LEU 12 Cb 0.36 -1.74 0.00 0.00 0.53 0.00 0.00 43.42 42.56 2k0a n LEU 12 CO 0.01 0.19 0.00 0.29 -1.11 0.00 0.00 177.39 176.76 2k0a n LYS 13 N -4.20 1.82 -3.82 1.96 5.02 -1.26 -4.43 118.16 113.25 2k0a n LYS 13 Ca 0.06 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.99 2k0a n LYS 13 Cb 0.49 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.36 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 0.00 3.18 0.27 1.97 -0.44 -1.26 -3.91 119.66 119.47 2k0a s GLN 14 Ca 0.00 -0.78 -0.30 0.00 -2.50 0.00 0.00 55.36 51.78 2k0a s GLN 14 Cb 0.00 -3.23 -0.13 0.00 -1.64 0.00 0.00 33.01 28.02 2k0a s GLN 14 CO 0.00 -0.35 1.44 -2.30 0.50 0.00 0.00 175.29 174.57 2k0a n PRO 15 N 4.83 2.22 0.00 1.67 -0.02 -1.26 -3.57 135.00 138.86 2k0a n PRO 15 Ca -0.16 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2k0a n PRO 15 Cb 0.49 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 1.92 1.23 0.02 -1.23 0.00 0.65 -4.67 105.19 103.11 2k0a n GLY 16 Ca 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 0.27 -2.79 1.61 0.24 -1.26 -4.82 118.33 111.58 2k0a n VAL 17 Ca 0.00 -0.28 -0.40 0.00 -2.04 0.00 0.00 64.34 61.62 2k0a n VAL 17 Cb 0.00 -0.21 -0.05 0.00 -1.47 0.00 0.00 33.84 32.11 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 -2.43 4.73 0.20 7.34 -0.21 -1.26 -4.94 119.66 123.09 2k0a s GLN 18 Ca -0.04 1.40 -0.30 0.00 0.02 0.00 0.00 55.36 56.45 2k0a s GLN 18 Cb 0.04 -3.32 -0.08 0.00 1.00 0.00 0.00 33.01 30.65 2k0a s GLN 18 CO 0.36 0.39 1.00 0.99 -2.12 0.00 0.00 175.29 175.91 2k0a s THR 19 N -0.62 4.04 0.11 -0.19 2.01 -1.26 -1.38 115.64 118.35 2k0a s THR 19 Ca 0.42 1.90 -0.30 0.00 0.31 0.00 0.00 61.69 64.03 2k0a s THR 19 Cb -0.24 -4.21 -0.06 0.00 0.01 0.00 0.00 72.50 68.00 2k0a s THR 19 CO 0.30 0.39 1.08 -0.83 -0.69 0.00 0.00 174.62 174.87 2k0a s GLY 20 N -0.64 2.78 0.10 4.40 0.00 -0.14 -4.80 107.32 109.01 2k0a s GLY 20 Ca 0.45 0.73 -0.07 0.00 0.00 0.00 0.00 44.72 45.83 2k0a s GLY 20 CO 0.33 1.72 0.37 1.08 0.00 0.00 0.00 173.10 176.60 2k0a s LEU 21 N 0.28 4.31 -0.10 0.66 1.43 -1.26 -0.56 118.68 123.44 2k0a s LEU 21 Ca 0.52 0.66 0.03 0.00 -1.03 0.00 0.00 54.13 54.31 2k0a s LEU 21 Cb -0.27 -3.09 -0.01 0.00 0.03 0.00 0.00 46.19 42.85 2k0a s LEU 21 CO 0.31 0.13 -0.19 -0.76 0.23 0.00 0.00 176.35 176.07 2k0a s LEU 22 N -2.24 2.39 0.70 1.79 1.43 0.26 -0.07 118.68 122.94 2k0a s LEU 22 Ca 0.36 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 2k0a s LEU 22 Cb -0.13 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.62 2k0a s LEU 22 CO 0.21 0.20 1.08 0.00 0.23 0.00 0.00 176.35 178.07 2k0a h GLU 24 N -0.56 0.00 0.00 0.00 5.08 -1.95 0.23 114.58 117.38 2k0a h GLU 24 Ca -0.45 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.86 2k0a h GLU 24 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2k0a h GLU 24 CO 0.54 0.00 -0.26 0.87 -1.00 0.00 0.00 179.01 179.16 2k0a h LYS 25 N 0.00 0.00 -0.01 2.33 1.57 -1.96 -2.93 116.57 115.57 2k0a h LYS 25 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2k0a h LYS 25 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2k0a h LYS 25 CO -0.00 0.26 0.00 0.00 -0.57 0.00 0.00 179.45 179.14 2k0a s ASP 27 N -2.54 6.76 0.00 0.00 2.15 0.56 -2.68 116.67 120.92 2k0a s ASP 27 Ca 0.27 2.46 0.00 0.00 0.43 0.00 0.00 52.55 55.71 2k0a s ASP 27 Cb 0.24 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 2k0a s ASP 27 CO 0.03 -0.68 0.00 0.61 -0.17 0.00 0.00 175.17 174.96 2k0a n GLY 28 N 3.17 2.81 3.73 2.66 0.00 -1.26 -5.00 105.19 111.30 2k0a n GLY 28 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.09 4.28 -0.16 1.61 1.02 -1.09 -4.66 119.74 120.65 2k0a s LYS 29 Ca 0.00 2.22 -0.29 0.00 0.02 0.00 0.00 55.97 57.91 2k0a s LYS 29 Cb 0.00 -3.17 -0.03 0.00 -0.52 0.00 0.00 37.83 34.11 2k0a s LYS 29 CO 0.00 -0.45 1.49 0.00 -0.92 0.00 0.00 175.35 175.46 2k0a h PRO 31 N 9.46 1.08 -0.43 0.00 0.11 -1.89 0.50 132.00 140.82 2k0a h PRO 31 Ca -0.32 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 2k0a h PRO 31 Cb 1.14 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 2k0a h PRO 31 CO 0.98 0.71 0.24 0.82 -0.21 0.00 0.00 178.00 180.54 2k0a h ILE 32 N 1.11 1.16 0.00 4.15 1.08 -1.90 -3.36 117.51 119.73 2k0a h ILE 32 Ca 0.45 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 2k0a h ILE 32 Cb 0.28 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 2k0a h ILE 32 CO -0.20 0.16 -0.68 0.00 -0.69 0.00 0.00 178.15 176.74 2k0a n ASP 34 N -1.34 -5.88 -3.61 0.00 -0.08 0.18 -5.01 116.55 100.80 2k0a n ASP 34 Ca -0.00 0.27 -0.08 0.00 -1.51 0.00 0.00 54.79 53.47 2k0a n ASP 34 Cb 0.01 -3.87 -0.06 0.00 2.34 0.00 0.00 41.12 39.55 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 -2.17 -0.30 -0.42 1.67 0.15 -1.24 -4.90 113.70 106.49 2k0a s SER 35 Ca 0.13 0.44 0.03 0.00 0.70 0.00 0.00 55.95 57.25 2k0a s SER 35 Cb -0.04 0.40 0.56 0.00 -1.71 0.00 0.00 66.02 65.24 2k0a s SER 35 CO 0.50 -0.20 1.83 -1.22 1.20 0.00 0.00 173.24 175.35 2k0a n TYR 36 N 1.23 2.71 -1.54 3.44 4.02 -1.26 -1.36 117.16 124.39 2k0a n TYR 36 Ca -0.09 -1.81 -0.42 0.00 -0.01 0.00 0.00 57.90 55.56 2k0a n TYR 36 Cb 0.57 -0.92 -0.02 0.00 -0.02 0.00 0.00 39.34 38.95 2k0a n TYR 36 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 2k0a n VAL 37 N -0.90 2.90 -2.32 -0.72 3.14 -1.26 -4.71 118.33 114.46 2k0a n VAL 37 Ca 0.53 -2.54 0.00 0.00 -2.96 0.00 0.00 64.34 59.37 2k0a n VAL 37 Cb 1.42 -2.51 0.00 0.00 -1.06 0.00 0.00 33.84 31.69 2k0a n VAL 37 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2k0a n ARG 38 N 6.43 -5.35 -2.13 1.45 5.12 -1.26 -3.25 116.66 117.67 2k0a n ARG 38 Ca 0.51 3.86 -0.39 0.00 -1.93 0.00 0.00 57.85 59.90 2k0a n ARG 38 Cb 0.40 -4.72 -0.01 0.00 -1.16 0.00 0.00 32.46 26.97 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 -0.61 3.88 0.00 5.56 0.04 -1.26 -0.99 135.00 141.62 2k0a s PRO 39 Ca 0.00 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2k0a s PRO 39 Cb 0.00 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2k0a s PRO 39 CO 0.00 -0.51 0.00 1.17 0.04 0.00 0.00 177.00 177.70 2k0a n LYS 40 N -0.09 0.00 -3.93 4.56 3.00 0.97 -4.70 118.16 117.96 2k0a n LYS 40 Ca 0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.25 2k0a n LYS 40 Cb 0.45 -0.33 -0.13 0.00 0.00 0.00 0.00 35.03 35.02 2k0a n LYS 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2k0a s ARG 41 N -1.96 0.17 0.32 1.64 1.81 -0.94 -4.96 118.95 115.03 2k0a s ARG 41 Ca 0.00 -0.31 -0.29 0.00 -1.72 0.00 0.00 55.73 53.41 2k0a s ARG 41 Cb 0.00 0.03 -0.11 0.00 -0.45 0.00 0.00 34.95 34.43 2k0a s ARG 41 CO 0.00 -0.02 1.42 0.15 -0.68 0.00 0.00 175.30 176.17 2k0a s LYS 42 N -0.72 4.24 0.11 3.54 1.02 -1.26 0.93 119.74 127.59 2k0a s LYS 42 Ca -0.08 2.38 -0.30 0.00 0.02 0.00 0.00 55.97 57.99 2k0a s LYS 42 Cb -0.05 -3.04 -0.07 0.00 -0.52 0.00 0.00 37.83 34.15 2k0a s LYS 42 CO -0.00 -0.39 1.20 0.08 -0.92 0.00 0.00 175.35 175.32 2k0a s VAL 43 N -0.75 3.84 -0.18 3.17 1.01 0.82 -4.70 120.40 123.62 2k0a s VAL 43 Ca 0.54 1.40 -0.02 0.00 0.00 0.00 0.00 61.98 63.90 2k0a s VAL 43 Cb -0.43 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 2k0a s VAL 43 CO 0.53 0.15 -0.09 -0.13 0.00 0.00 0.00 175.10 175.56 2k0a s ARG 44 N 0.60 3.37 0.23 2.72 3.00 -1.26 -0.96 118.95 126.65 2k0a s ARG 44 Ca 0.57 -0.66 -0.08 0.00 0.00 0.00 0.00 55.73 55.56 2k0a s ARG 44 Cb -0.31 -2.82 -0.07 0.00 0.00 0.00 0.00 34.95 31.76 2k0a s ARG 44 CO 0.32 -0.00 0.53 0.14 0.00 0.00 0.00 175.30 176.29 2k0a s VAL 45 N 0.93 4.98 0.63 3.52 -7.23 -0.48 -4.28 120.40 118.47 2k0a s VAL 45 Ca -0.02 0.34 -0.18 0.00 -1.81 0.00 0.00 61.98 60.32 2k0a s VAL 45 Cb -0.15 -3.64 -0.02 0.00 0.56 0.00 0.00 36.38 33.13 2k0a s VAL 45 CO -0.00 -0.11 1.26 0.00 -0.31 0.00 0.00 175.10 175.94 2k0a h GLU 47 N 0.64 0.38 -0.50 0.00 4.57 -1.83 0.40 114.58 118.23 2k0a h GLU 47 Ca -0.51 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 57.68 2k0a h GLU 47 Cb 1.32 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.79 2k0a h GLU 47 CO 0.54 0.25 0.28 -0.91 -1.18 0.00 0.00 179.01 177.99 2k0a h ASN 48 N 0.39 0.44 1.12 1.04 4.21 -1.89 0.10 115.58 120.99 2k0a h ASN 48 Ca 0.48 0.01 0.00 0.00 1.21 0.00 0.00 56.30 58.00 2k0a h ASN 48 Cb 1.21 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.34 2k0a h ASN 48 CO -0.18 0.31 0.00 0.00 -1.29 0.00 0.00 177.43 176.27 2k0a h SER 50 N 0.00 0.27 1.78 0.00 0.02 0.04 -2.79 113.55 112.87 2k0a h SER 50 Ca 0.00 -0.82 -0.02 0.00 -0.84 0.00 0.00 61.79 60.11 2k0a h SER 50 Cb 0.56 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 2k0a h SER 50 CO 0.00 1.50 -0.22 2.19 -1.14 0.00 0.00 176.83 179.16 2k0a h PHE 51 N -0.51 0.00 -4.28 3.45 -5.15 -1.17 -3.43 116.94 105.84 2k0a h PHE 51 Ca -0.26 0.00 -0.51 0.00 -0.20 0.00 0.00 57.97 57.00 2k0a h PHE 51 Cb 1.58 0.00 0.12 0.00 0.22 0.00 0.00 35.95 37.87 2k0a h PHE 51 CO 0.15 0.09 0.34 0.20 -2.00 0.00 0.00 178.31 177.08 2k0a s GLY 52 N -4.28 1.81 0.57 6.09 0.00 -0.97 -4.91 107.32 105.62 2k0a s GLY 52 Ca 0.05 0.32 0.29 0.00 0.00 0.00 0.00 44.72 45.39 2k0a s GLY 52 CO 0.70 0.66 2.19 0.50 0.00 0.00 0.00 173.10 177.15 2k0a h LYS 53 N -0.75 0.00 -0.65 2.90 1.79 -1.88 -2.14 116.57 115.84 2k0a h LYS 53 Ca -0.44 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 58.20 2k0a h LYS 53 Cb 1.23 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.85 2k0a h LYS 53 CO 0.53 0.05 0.46 1.96 -1.08 0.00 0.00 179.45 181.36 2k0a h GLN 54 N 0.00 0.08 -1.09 3.15 7.50 -1.91 -2.46 115.11 120.38 2k0a h GLN 54 Ca -0.00 -0.00 0.30 0.00 0.50 0.00 0.00 58.65 59.44 2k0a h GLN 54 Cb 0.13 -0.02 -0.09 0.00 0.05 0.00 0.00 27.48 27.55 2k0a h GLN 54 CO 0.01 0.05 0.72 0.00 -1.50 0.00 0.00 178.83 178.10 2k0a h ALA 55 N 1.68 2.42 -0.21 3.87 0.00 -1.09 0.94 119.26 126.87 2k0a h ALA 55 Ca 0.31 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.12 2k0a h ALA 55 Cb 1.13 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2k0a h ALA 55 CO -0.03 -0.84 -0.49 0.87 0.00 0.00 0.00 179.25 178.76 2k0a h LYS 56 N 0.30 0.58 -7.32 0.00 1.79 -1.68 -3.43 116.57 106.80 2k0a h LYS 56 Ca 0.62 -0.34 -0.50 0.00 -2.18 0.00 0.00 60.65 58.24 2k0a h LYS 56 Cb 1.74 0.03 0.06 0.00 -1.58 0.00 0.00 32.23 32.48 2k0a h LYS 56 CO -0.27 0.94 0.40 -0.80 -1.08 0.00 0.00 179.45 178.64 2k0a s ASN 57 N -6.89 6.03 0.32 0.86 0.01 0.32 -0.21 114.94 115.38 2k0a s ASN 57 Ca -0.08 1.52 -0.29 0.00 -0.71 0.00 0.00 52.86 53.30 2k0a s ASN 57 Cb 0.12 -2.49 -0.11 0.00 0.41 0.00 0.00 41.25 39.18 2k0a s ASN 57 CO 0.84 -1.00 1.58 0.00 -1.51 0.00 0.00 177.10 177.01 2k0a h ILE 59 N 3.27 1.29 0.25 0.00 3.07 -0.80 -0.53 117.51 124.06 2k0a h ILE 59 Ca -0.48 -1.69 -0.01 0.00 1.55 0.00 0.00 64.86 64.23 2k0a h ILE 59 Cb 1.23 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 39.38 2k0a h ILE 59 CO 0.75 0.54 -0.12 0.40 -1.05 0.00 0.00 178.15 178.68 2k0a h ILE 60 N 0.58 0.72 -0.01 0.16 2.04 -1.80 -2.04 117.51 117.16 2k0a h ILE 60 Ca 0.03 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.04 2k0a h ILE 60 Cb 1.05 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2k0a h ILE 60 CO 0.10 0.16 -0.34 0.00 0.00 0.00 0.00 178.15 178.07 2k0a n ASN 62 N -0.89 -2.81 0.13 0.00 0.23 -0.21 -4.58 115.26 107.13 2k0a n ASN 62 Ca 0.10 0.25 0.00 0.00 -0.53 0.00 0.00 54.58 54.40 2k0a n ASN 62 Cb 0.35 -2.60 0.00 0.00 -2.08 0.00 0.00 39.78 35.44 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 -2.10 0.08 -4.76 -4.53 -0.00 -1.25 -4.92 117.00 99.51 2k0a n LEU 63 Ca -0.10 0.43 -0.40 0.00 -0.00 0.00 0.00 56.01 55.94 2k0a n LEU 63 Cb 0.43 0.27 -0.05 0.00 -0.00 0.00 0.00 43.42 44.07 2k0a n LEU 63 CO 0.14 -0.79 0.74 0.20 -0.00 0.00 0.00 177.39 177.69 2k0a s ASN 64 N -5.20 7.34 0.33 1.96 0.01 -1.26 -4.78 114.94 113.34 2k0a s ASN 64 Ca 0.00 2.15 -0.29 0.00 -0.71 0.00 0.00 52.86 54.01 2k0a s ASN 64 Cb 0.00 -2.62 -0.12 0.00 0.41 0.00 0.00 41.25 38.93 2k0a s ASN 64 CO 0.00 -0.08 1.49 0.52 -1.51 0.00 0.00 177.10 177.52 2k0a n VAL 65 N 1.17 1.55 -2.32 1.60 0.31 -1.26 0.94 118.33 120.32 2k0a n VAL 65 Ca -0.01 -0.39 -0.35 0.00 -0.01 0.00 0.00 64.34 63.58 2k0a n VAL 65 Cb 0.46 -1.86 -0.01 0.00 -0.91 0.00 0.00 33.84 31.52 2k0a n VAL 65 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2k0a s GLY 66 N 0.10 2.64 0.10 2.92 0.00 0.70 -4.09 107.32 109.70 2k0a s GLY 66 Ca 0.59 0.80 0.00 0.00 0.00 0.00 0.00 44.72 46.11 2k0a s GLY 66 CO 0.57 1.17 0.00 -0.62 0.00 0.00 0.00 173.10 174.22 2k0a n VAL 67 N -1.04 0.85 -4.70 1.40 0.31 0.10 -4.79 118.33 110.46 2k0a n VAL 67 Ca 0.10 0.28 -0.32 0.00 -0.01 0.00 0.00 64.34 64.40 2k0a n VAL 67 Cb 0.51 -1.33 -0.12 0.00 -0.91 0.00 0.00 33.84 31.98 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 -5.66 4.04 0.32 4.52 0.01 -0.10 -4.80 114.94 113.27 2k0a s ASN 68 Ca 0.00 -0.29 -0.29 0.00 -0.71 0.00 0.00 52.86 51.57 2k0a s ASN 68 Cb 0.00 -0.78 -0.11 0.00 0.41 0.00 0.00 41.25 40.76 2k0a s ASN 68 CO 0.00 0.29 1.56 -1.81 -1.51 0.00 0.00 177.10 175.63 2k0a s ASP 69 N -1.19 6.36 0.49 -1.22 1.01 -1.26 0.91 116.67 121.77 2k0a s ASP 69 Ca 0.14 2.99 -0.12 0.00 0.71 0.00 0.00 52.55 56.26 2k0a s ASP 69 Cb -0.11 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.11 2k0a s ASP 69 CO 0.04 -0.90 0.90 0.00 0.21 0.00 0.00 175.17 175.42 2k0a s ALA 70 N -0.38 3.20 -0.05 5.23 0.00 0.28 -4.80 121.76 125.24 2k0a s ALA 70 Ca 0.60 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.53 2k0a s ALA 70 Cb -0.47 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2k0a s ALA 70 CO 0.53 -0.25 -0.13 -0.06 0.00 0.00 0.00 175.76 175.85 2k0a s PHE 71 N -2.65 1.39 0.15 0.00 0.40 -1.26 -0.12 117.98 115.89 2k0a s PHE 71 Ca 0.55 -0.43 -0.31 0.00 -0.60 0.00 0.00 56.93 56.14 2k0a s PHE 71 Cb -0.10 -0.98 -0.09 0.00 0.51 0.00 0.00 43.02 42.36 2k0a s PHE 71 CO 0.37 -0.18 1.44 0.71 0.70 0.00 0.00 175.22 178.26 2k0a s TYR 72 N 0.29 3.17 0.90 0.36 2.02 0.26 -4.48 117.35 119.87 2k0a s TYR 72 Ca -0.07 0.88 -0.12 0.00 -0.37 0.00 0.00 57.07 57.39 2k0a s TYR 72 Cb -0.12 -3.77 0.13 0.00 -0.40 0.00 0.00 41.96 37.80 2k0a s TYR 72 CO 0.02 -2.70 1.11 0.00 -1.57 0.00 0.00 175.55 172.42 2k0a h TRP 74 N -1.47 -0.01 -0.77 0.00 7.01 -1.04 -1.56 115.95 118.12 2k0a h TRP 74 Ca -0.50 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.47 2k0a h TRP 74 Cb 1.31 0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 28.38 2k0a h TRP 74 CO 0.35 -0.04 0.30 1.05 -2.79 0.00 0.00 178.44 177.31 2k0a h GLU 75 N 0.09 1.15 -0.61 2.65 4.11 -1.87 0.41 114.58 120.51 2k0a h GLU 75 Ca 0.13 -0.21 -0.10 0.00 0.07 0.00 0.00 59.36 59.25 2k0a h GLU 75 Cb 0.17 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2k0a h GLU 75 CO -0.22 0.94 -0.01 0.00 0.07 0.00 0.00 179.01 179.79 2k0a h ARG 78 N 0.61 0.75 -0.06 0.00 2.43 0.24 -1.88 114.38 116.47 2k0a h ARG 78 Ca 0.08 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 2k0a h ARG 78 Cb 0.76 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2k0a h ARG 78 CO 0.06 0.53 -0.49 -0.07 -1.51 0.00 0.00 179.97 178.49 2k0a h LEU 79 N 0.75 0.15 0.00 3.80 3.38 -0.47 -3.47 115.31 119.45 2k0a h LEU 79 Ca 0.20 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2k0a h LEU 79 Cb -0.04 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2k0a h LEU 79 CO -0.04 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.72 2k0a n GLY 80 N -0.05 1.65 0.50 0.83 0.00 0.50 -4.97 105.19 103.66 2k0a n GLY 80 Ca -0.02 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.14 1.64 0.01 1.61 5.02 0.90 -2.30 118.16 123.89 2k0a n LYS 81 Ca 0.00 -0.98 0.11 0.00 -2.02 0.00 0.00 58.31 55.42 2k0a n LYS 81 Cb 0.06 -1.29 0.13 0.00 -0.02 0.00 0.00 35.03 33.91 2k0a n LYS 81 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2k0a n ASP 82 N 0.25 0.64 -0.01 4.39 5.75 -1.25 -4.30 116.55 122.02 2k0a n ASP 82 Ca 0.12 -0.39 -0.00 0.00 -0.01 0.00 0.00 54.79 54.50 2k0a n ASP 82 Cb 0.26 0.50 -0.04 0.00 -1.03 0.00 0.00 41.12 40.81 2k0a n ASP 82 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2k0a n LYS 83 N -1.60 2.11 0.20 0.11 5.02 -1.00 -4.81 118.16 118.19 2k0a n LYS 83 Ca 0.05 -0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.18 2k0a n LYS 83 Cb 0.35 -1.11 -0.08 0.00 -0.02 0.00 0.00 35.03 34.17 2k0a n LYS 83 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2k0a h ASP 84 N 0.00 -0.42 0.00 4.39 2.03 -1.64 -3.46 116.42 117.31 2k0a h ASP 84 Ca -0.07 -0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 2k0a h ASP 84 Cb 0.88 0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.48 2k0a h ASP 84 CO 0.00 -0.11 0.00 0.61 -1.03 0.00 0.00 179.24 178.71 2k0a n GLY 85 N -0.61 3.23 3.61 7.15 0.00 -1.26 -4.72 105.19 112.58 2k0a n GLY 85 Ca -0.10 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 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 5.36 1.32 -3.80 0.00 -0.04 -1.26 -0.53 135.00 136.04 2k0a n PRO 87 Ca -0.08 -0.54 -0.36 0.00 -0.04 0.00 0.00 63.50 62.48 2k0a n PRO 87 Cb 0.51 -1.66 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 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 1.15 4.00 -0.27 0.54 1.81 -1.26 -4.47 118.95 120.45 2k0a s ARG 88 Ca 0.36 -0.31 -0.23 0.00 -1.72 0.00 0.00 55.73 53.83 2k0a s ARG 88 Cb 0.17 -3.39 -0.01 0.00 -0.45 0.00 0.00 34.95 31.28 2k0a s ARG 88 CO 0.00 0.13 0.76 0.42 -0.68 0.00 0.00 175.30 175.93 2k0a s ILE 89 N 0.81 4.85 -0.22 1.52 -1.09 -0.77 0.11 121.20 126.42 2k0a s ILE 89 Ca 0.06 1.28 -0.09 0.00 -2.23 0.00 0.00 60.65 59.67 2k0a s ILE 89 Cb -0.13 -4.09 -0.18 0.00 -1.58 0.00 0.00 42.46 36.48 2k0a s ILE 89 CO 0.02 -0.13 -0.02 0.18 -1.23 0.00 0.00 174.94 173.76 2k0a n LEU 90 N 6.03 2.42 -4.35 2.97 4.77 -1.05 -4.62 117.00 123.16 2k0a n LEU 90 Ca 0.03 0.18 -0.19 0.00 -0.03 0.00 0.00 56.01 56.00 2k0a n LEU 90 Cb 0.48 -0.95 -0.10 0.00 -2.33 0.00 0.00 43.42 40.52 2k0a n LEU 90 CO 0.48 0.70 -0.45 0.21 -1.33 0.00 0.00 177.39 176.99 2k0a s ASN 91 N -6.97 2.64 0.38 -1.43 2.47 -0.06 -4.84 114.94 107.12 2k0a s ASN 91 Ca -0.32 -1.00 0.24 0.00 0.42 0.00 0.00 52.86 52.20 2k0a s ASN 91 Cb 0.09 -0.15 1.35 0.00 -1.45 0.00 0.00 41.25 41.09 2k0a s ASN 91 CO 0.61 -0.14 1.53 0.00 -3.72 0.00 0.00 177.10 175.38 2k0a n LEU 92 N -0.31 0.30 0.00 3.21 -0.00 -1.26 -4.14 117.00 114.80 2k0a n LEU 92 Ca -0.08 1.53 0.00 0.00 -0.00 0.00 0.00 56.01 57.46 2k0a n LEU 92 Cb 0.60 -0.75 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 2k0a n LEU 92 CO 0.34 -1.70 0.00 0.61 -0.00 0.00 0.00 177.39 176.64 2k0a n GLY 93 N -1.33 0.15 3.44 1.47 0.00 -1.26 -4.89 105.19 102.78 2k0a n GLY 93 Ca 0.38 0.19 -0.25 0.00 0.00 0.00 0.00 46.02 46.34 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 -5.28 -0.59 1.61 7.64 -1.26 -3.06 113.62 112.67 2k0a n SER 94 Ca 0.00 -0.49 -0.02 0.00 1.01 0.00 0.00 58.87 59.37 2k0a n SER 94 Cb 0.00 -4.25 -0.02 0.00 -1.01 0.00 0.00 64.21 58.93 2k0a n SER 94 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2k0a n ASN 95 N -2.64 -0.35 -4.75 6.43 4.05 -1.26 -4.98 115.26 111.77 2k0a n ASN 95 Ca -0.03 -1.00 -0.41 0.00 0.45 0.00 0.00 54.58 53.59 2k0a n ASN 95 Cb 0.57 0.10 -0.03 0.00 1.23 0.00 0.00 39.78 41.66 2k0a n ASN 95 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 2k0a s ARG 96 N 0.00 4.34 0.00 1.20 3.52 -1.26 -2.37 118.95 124.37 2k0a s ARG 96 Ca 0.00 2.18 0.00 0.00 -0.13 0.00 0.00 55.73 57.78 2k0a s ARG 96 Cb 0.00 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 2k0a s ARG 96 CO 0.00 -0.31 0.00 1.28 -0.81 0.00 0.00 175.30 175.46 2k0a n LEU 97 N 2.23 0.00 -1.61 -0.88 4.77 -1.26 -4.04 117.00 116.21 2k0a n LEU 97 Ca 0.05 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.84 2k0a n LEU 97 Cb 0.42 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 2k0a n LEU 97 CO 0.59 0.00 -0.19 -0.67 -1.33 0.00 0.00 177.39 175.79 2k0a n ASP 98 N 0.33 -5.34 -2.21 -1.43 2.03 -1.00 -4.87 116.55 104.07 2k0a n ASP 98 Ca 0.00 0.37 -0.27 0.00 0.52 0.00 0.00 54.79 55.41 2k0a n ASP 98 Cb 0.00 -4.49 0.05 0.00 -0.72 0.00 0.00 41.12 35.95 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 -2.53 2.30 -2.96 -0.67 1.74 -1.26 -4.94 116.66 108.34 2k0a n ARG 99 Ca -0.20 -2.51 -0.38 0.00 -0.77 0.00 0.00 57.85 53.99 2k0a n ARG 99 Cb 0.64 -1.99 -0.06 0.00 -1.02 0.00 0.00 32.46 30.02 2k0a n ARG 99 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2k0a s HIS 100 N -2.82 3.84 -0.24 -1.55 -3.43 -1.26 -4.94 115.29 104.88 2k0a s HIS 100 Ca 0.49 1.63 0.04 0.00 -0.80 0.00 0.00 55.06 56.42 2k0a s HIS 100 Cb 0.38 -2.77 0.14 0.00 -1.43 0.00 0.00 32.58 28.90 2k0a s HIS 100 CO -0.06 0.44 1.02 1.97 -2.00 0.00 0.00 174.74 176.11 2k0a n PHE 101 N 1.28 -0.84 -2.09 0.38 1.16 -1.26 -4.17 117.46 111.93 2k0a n PHE 101 Ca -0.04 -0.84 -0.42 0.00 -1.87 0.00 0.00 57.45 54.28 2k0a n PHE 101 Cb 0.49 1.12 -0.03 0.00 -1.61 0.00 0.00 39.48 39.46 2k0a n PHE 101 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 2k0a s GLU 102 N 0.06 4.22 6.73 3.97 2.56 -1.16 -4.73 118.70 130.35 2k0a s GLU 102 Ca 0.06 2.11 0.00 0.00 0.00 0.00 0.00 54.97 57.14 2k0a s GLU 102 Cb 0.15 -3.77 0.00 0.00 2.00 0.00 0.00 34.13 32.51 2k0a s GLU 102 CO -0.04 -0.74 0.00 1.63 -0.56 0.00 0.00 175.26 175.56 2k0a n LYS 103 N 6.29 0.00 0.09 4.30 5.02 -1.26 -3.26 118.16 129.34 2k0a n LYS 103 Ca 0.15 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.30 2k0a n LYS 103 Cb 0.43 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.33 2k0a n LYS 103 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2k0a h LYS 104 N 0.00 0.30 -6.55 1.97 1.63 -2.05 -3.44 116.57 108.43 2k0a h LYS 104 Ca 0.00 -0.44 -0.53 0.00 -0.85 0.00 0.00 60.65 58.83 2k0a h LYS 104 Cb 0.00 0.15 0.03 0.00 -0.60 0.00 0.00 32.23 31.81 2k0a h LYS 104 CO 0.00 1.18 0.80 0.15 -3.45 0.00 0.00 179.45 178.13 2k0a s LYS 105 N -2.84 4.27 -0.01 1.90 3.01 -1.20 -4.88 119.74 119.99 2k0a s LYS 105 Ca -0.04 2.19 0.14 0.00 -1.01 0.00 0.00 55.97 57.24 2k0a s LYS 105 Cb 0.08 -3.25 0.42 0.00 -1.01 0.00 0.00 37.83 34.06 2k0a s LYS 105 CO 0.88 -0.52 1.34 1.17 0.51 0.00 0.00 175.35 178.72 2k0a n LYS 106 N 4.12 2.16 0.00 1.68 3.00 -1.26 -2.99 118.16 124.87 2k0a n LYS 106 Ca 0.13 -1.68 0.00 0.00 -0.00 0.00 0.00 58.31 56.75 2k0a n LYS 106 Cb 0.41 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 34.04 2k0a n LYS 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68