#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aff n THR 4 N 0.00 0.84 -3.37 3.45 -2.24 -1.26 -4.97 114.28 106.73 2aff n THR 4 Ca 0.00 -0.25 -0.38 0.00 -2.27 0.00 0.00 64.05 61.16 2aff n THR 4 Cb 0.00 -1.49 -0.06 0.00 -2.10 0.00 0.00 70.33 66.67 2aff n THR 4 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2aff s ARG 5 N -2.28 4.26 0.01 -0.78 0.52 -1.26 0.24 118.95 119.65 2aff s ARG 5 Ca -0.21 0.41 0.03 0.00 -0.52 0.00 0.00 55.73 55.44 2aff s ARG 5 Cb 0.07 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 32.14 2aff s ARG 5 CO 0.29 0.27 -0.10 1.03 0.02 0.00 0.00 175.30 176.81 2aff s ARG 6 N 0.28 0.73 -0.13 3.54 0.52 -0.29 -2.16 118.95 121.44 2aff s ARG 6 Ca 0.24 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 2aff s ARG 6 Cb -0.15 -0.69 -0.01 0.00 0.52 0.00 0.00 34.95 34.62 2aff s ARG 6 CO 0.10 0.18 -0.15 -1.17 0.02 0.00 0.00 175.30 174.29 2aff s LEU 7 N -0.49 2.63 -0.18 2.53 2.96 -0.94 -1.70 118.68 123.49 2aff s LEU 7 Ca 0.02 -0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 53.51 2aff s LEU 7 Cb -0.05 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 2aff s LEU 7 CO -0.00 0.17 0.01 -0.69 -1.32 0.00 0.00 176.35 174.52 2aff s VAL 8 N 0.35 4.30 0.24 1.68 1.01 -0.86 0.12 120.40 127.23 2aff s VAL 8 Ca -0.12 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 2aff s VAL 8 Cb -0.16 -2.92 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 2aff s VAL 8 CO 0.06 0.47 0.93 -0.89 0.00 0.00 0.00 175.10 175.67 2aff s THR 9 N 0.48 4.10 -0.07 3.92 2.01 -0.94 -1.61 115.64 123.53 2aff s THR 9 Ca -0.00 2.04 0.02 0.00 0.31 0.00 0.00 61.69 64.06 2aff s THR 9 Cb -0.13 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.07 2aff s THR 9 CO 0.02 0.46 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.66 2aff s ILE 10 N -1.22 3.22 0.36 1.82 -1.09 -0.33 -1.97 121.20 121.98 2aff s ILE 10 Ca 0.42 -0.65 -0.05 0.00 -2.23 0.00 0.00 60.65 58.14 2aff s ILE 10 Cb -0.25 -2.29 -0.05 0.00 -1.58 0.00 0.00 42.46 38.29 2aff s ILE 10 CO 0.31 0.58 0.63 -0.54 -1.23 0.00 0.00 174.94 174.69 2aff s LYS 11 N -0.53 3.61 0.61 2.79 1.02 -0.20 -4.13 119.74 122.92 2aff s LYS 11 Ca 0.07 0.06 0.33 0.00 0.02 0.00 0.00 55.97 56.45 2aff s LYS 11 Cb -0.12 -2.55 1.94 0.00 -0.52 0.00 0.00 37.83 36.58 2aff s LYS 11 CO 0.02 0.08 2.25 0.00 -0.92 0.00 0.00 175.35 176.78 2aff h ARG 12 N 1.15 0.00 0.00 1.68 3.08 -1.89 0.54 114.38 118.94 2aff h ARG 12 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2aff h ARG 12 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2aff h ARG 12 CO 0.64 0.00 -0.09 -1.13 -1.07 0.00 0.00 179.97 178.32 2aff n SER 13 N -3.64 0.22 -0.12 7.04 3.41 -1.26 -4.90 113.62 114.36 2aff n SER 13 Ca -0.02 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2aff n SER 13 Cb 0.12 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aff n GLY 14 N 1.46 1.05 3.29 5.00 0.00 0.19 -5.08 105.19 111.10 2aff n GLY 14 Ca 0.06 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 2aff n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aff s VAL 15 N -2.24 2.39 0.17 1.61 1.01 -1.24 -4.86 120.40 117.23 2aff s VAL 15 Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 2aff s VAL 15 Cb 0.00 -1.93 -0.08 0.00 0.00 0.00 0.00 36.38 34.37 2aff s VAL 15 CO 0.00 0.55 1.22 -1.81 0.00 0.00 0.00 175.10 175.06 2aff s ASP 16 N 0.17 7.05 0.00 3.32 1.01 -1.26 -1.03 116.67 125.93 2aff s ASP 16 Ca -0.12 2.23 0.00 0.00 0.71 0.00 0.00 52.55 55.37 2aff s ASP 16 Cb -0.16 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.17 2aff s ASP 16 CO 0.06 -0.42 0.00 0.61 0.21 0.00 0.00 175.17 175.64 2aff n GLY 17 N 2.41 1.83 3.81 0.21 0.00 -0.83 -4.95 105.19 107.67 2aff n GLY 17 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2aff n GLY 17 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2aff s PRO 18 N 3.54 3.63 0.15 1.61 0.04 -1.26 -4.76 135.00 137.95 2aff s PRO 18 Ca 0.00 1.22 0.04 0.00 0.04 0.00 0.00 61.00 62.30 2aff s PRO 18 Cb 0.00 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2aff s PRO 18 CO 0.00 -0.56 0.21 -1.01 0.04 0.00 0.00 177.00 175.68 2aff s HIS 19 N -2.29 3.33 -0.46 0.56 3.76 -1.26 -2.22 115.29 116.71 2aff s HIS 19 Ca 0.64 0.06 0.03 0.00 -0.15 0.00 0.00 55.06 55.64 2aff s HIS 19 Cb -0.15 -1.60 0.13 0.00 1.11 0.00 0.00 32.58 32.07 2aff s HIS 19 CO 0.29 0.52 0.23 0.12 -0.85 0.00 0.00 174.74 175.04 2aff s PHE 20 N -1.73 2.64 0.20 1.40 5.36 0.31 -4.95 117.98 121.21 2aff s PHE 20 Ca 0.33 -2.77 -0.32 0.00 -0.96 0.00 0.00 56.93 53.21 2aff s PHE 20 Cb -0.11 -2.38 -0.12 0.00 -0.34 0.00 0.00 43.02 40.08 2aff s PHE 20 CO 0.26 -0.78 1.72 -2.14 -1.46 0.00 0.00 175.22 172.82 2aff s PRO 21 N 0.16 4.13 -1.10 10.12 0.02 -1.26 -2.21 135.00 144.87 2aff s PRO 21 Ca 0.16 2.58 -0.16 0.00 0.02 0.00 0.00 61.00 63.61 2aff s PRO 21 Cb -0.24 -3.12 0.15 0.00 0.02 0.00 0.00 34.50 31.30 2aff s PRO 21 CO -0.02 -0.75 1.33 -0.51 -0.33 0.00 0.00 177.00 176.73 2aff s LEU 22 N 1.29 4.94 0.02 -5.54 1.43 -0.92 -4.72 118.68 115.18 2aff s LEU 22 Ca 0.75 -2.56 0.26 0.00 -1.03 0.00 0.00 54.13 51.56 2aff s LEU 22 Cb -0.49 -2.41 0.75 0.00 0.03 0.00 0.00 46.19 44.07 2aff s LEU 22 CO 0.32 -0.91 1.59 -1.54 0.23 0.00 0.00 176.35 176.04 2aff n SER 23 N 6.23 0.36 -4.84 2.29 3.41 -1.26 -4.67 113.62 115.13 2aff n SER 23 Ca 0.32 0.06 -0.33 0.00 -0.26 0.00 0.00 58.87 58.66 2aff n SER 23 Cb 0.46 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 2aff n SER 23 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2aff s LEU 24 N -3.14 4.14 0.34 1.04 1.43 -1.26 -4.99 118.68 116.24 2aff s LEU 24 Ca 0.12 0.25 0.26 0.00 -1.03 0.00 0.00 54.13 53.73 2aff s LEU 24 Cb 0.18 -2.44 1.14 0.00 0.03 0.00 0.00 46.19 45.09 2aff s LEU 24 CO 0.64 0.27 1.78 0.77 0.23 0.00 0.00 176.35 180.04 2aff h SER 25 N 3.96 0.00 -3.62 2.29 4.64 -1.91 -3.42 113.55 115.49 2aff h SER 25 Ca -0.49 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.31 2aff h SER 25 Cb 1.19 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.95 2aff h SER 25 CO 0.66 0.00 -0.82 -0.89 -0.87 0.00 0.00 176.83 174.91 2aff s THR 26 N -3.45 1.17 -0.19 2.95 2.01 -1.26 -1.00 115.64 115.86 2aff s THR 26 Ca 0.02 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.50 2aff s THR 26 Cb 0.09 -1.04 0.04 0.00 0.01 0.00 0.00 72.50 71.60 2aff s THR 26 CO 0.40 0.35 -0.08 0.00 -0.69 0.00 0.00 174.62 174.60 2aff s LEU 28 N 1.48 2.97 -0.06 0.00 2.96 -1.26 -0.66 118.68 124.11 2aff s LEU 28 Ca -0.01 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 2aff s LEU 28 Cb -0.16 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 2aff s LEU 28 CO -0.08 0.03 0.12 -0.36 -1.32 0.00 0.00 176.35 174.74 2aff s PHE 29 N 1.21 3.46 -5.00 5.38 0.40 0.99 0.77 117.98 125.19 2aff s PHE 29 Ca 0.03 0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.73 2aff s PHE 29 Cb -0.14 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.54 2aff s PHE 29 CO -0.01 0.64 0.00 0.41 0.70 0.00 0.00 175.22 176.96 2aff n GLY 30 N 1.60 -0.89 0.09 4.36 0.00 -0.88 -2.47 105.19 107.01 2aff n GLY 30 Ca -0.16 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 2aff n GLY 30 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2aff h ARG 31 N 1.52 0.07 -6.54 1.61 2.43 -1.19 -2.40 114.38 109.89 2aff h ARG 31 Ca 0.00 -0.13 -0.59 0.00 -0.81 0.00 0.00 59.98 58.45 2aff h ARG 31 Cb 0.00 0.05 0.14 0.00 -0.42 0.00 0.00 29.97 29.74 2aff h ARG 31 CO 0.00 0.71 -0.08 0.41 -1.51 0.00 0.00 179.97 179.50 2aff n GLY 32 N 1.64 -0.77 0.22 2.80 0.00 -0.94 -4.79 105.19 103.36 2aff n GLY 32 Ca -0.19 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 2aff n GLY 32 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2aff h ILE 33 N 1.08 1.22 0.00 -0.61 1.08 -1.91 -1.71 117.51 116.65 2aff h ILE 33 Ca -0.43 -0.71 0.00 0.00 -0.39 0.00 0.00 64.86 63.33 2aff h ILE 33 Cb 1.37 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 2aff h ILE 33 CO 0.54 0.26 0.24 -0.08 -0.69 0.00 0.00 178.15 178.41 2aff h GLU 34 N 0.62 0.00 -6.59 2.37 4.81 -1.95 -3.42 114.58 110.43 2aff h GLU 34 Ca 0.15 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.86 2aff h GLU 34 Cb 0.24 0.00 0.05 0.00 0.63 0.00 0.00 28.75 29.66 2aff h GLU 34 CO -0.01 0.00 0.99 0.00 -0.73 0.00 0.00 179.01 179.26 2aff h ASP 36 N 7.31 0.08 -3.19 0.00 3.32 0.11 -3.37 116.42 120.68 2aff h ASP 36 Ca -0.43 -0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.05 2aff h ASP 36 Cb 1.20 -0.02 -0.36 0.00 0.22 0.00 0.00 39.33 40.38 2aff h ASP 36 CO 0.94 0.05 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.06 2aff s ILE 37 N -5.13 1.36 -0.15 0.35 1.01 -0.26 -4.94 121.20 113.43 2aff s ILE 37 Ca -0.06 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 2aff s ILE 37 Cb 0.18 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 2aff s ILE 37 CO 0.69 0.42 0.11 -0.13 0.00 0.00 0.00 174.94 176.04 2aff s ARG 38 N 1.40 3.67 -0.15 2.79 0.52 -1.26 -2.07 118.95 123.85 2aff s ARG 38 Ca 0.01 -0.21 0.01 0.00 -0.52 0.00 0.00 55.73 55.02 2aff s ARG 38 Cb -0.13 -3.22 0.00 0.00 0.52 0.00 0.00 34.95 32.12 2aff s ARG 38 CO -0.07 0.58 -0.17 0.42 0.02 0.00 0.00 175.30 176.08 2aff s ILE 39 N -0.47 2.54 0.00 1.52 1.01 -0.90 -4.97 121.20 119.92 2aff s ILE 39 Ca 0.11 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.95 2aff s ILE 39 Cb -0.12 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.29 2aff s ILE 39 CO 0.02 0.52 1.04 0.00 0.00 0.00 0.00 174.94 176.52 2aff n GLN 40 N 4.06 0.55 -4.31 2.79 6.02 -1.26 -4.59 117.38 120.63 2aff n GLN 40 Ca -0.19 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.46 2aff n GLN 40 Cb 0.52 -1.23 -0.14 0.00 1.02 0.00 0.00 30.24 30.41 2aff n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2aff s LEU 41 N 0.00 2.84 0.00 1.08 1.43 -1.26 -4.99 118.68 117.79 2aff s LEU 41 Ca 0.00 -0.34 0.21 0.00 -1.03 0.00 0.00 54.13 52.97 2aff s LEU 41 Cb 0.00 -1.69 1.17 0.00 0.03 0.00 0.00 46.19 45.71 2aff s LEU 41 CO 0.00 0.08 1.66 -0.81 0.23 0.00 0.00 176.35 177.51 2aff n PRO 42 N 4.13 0.49 -0.06 1.29 -0.04 -1.26 -2.30 135.00 137.25 2aff n PRO 42 Ca -0.18 0.04 0.07 0.00 -0.04 0.00 0.00 63.50 63.39 2aff n PRO 42 Cb 0.52 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.57 2aff n PRO 42 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2aff n VAL 43 N -1.14 0.30 -3.01 0.52 0.24 -1.26 -4.92 118.33 109.05 2aff n VAL 43 Ca 0.13 -0.65 -0.43 0.00 -2.04 0.00 0.00 64.34 61.35 2aff n VAL 43 Cb 0.12 1.04 -0.06 0.00 -1.47 0.00 0.00 33.84 33.47 2aff n VAL 43 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2aff s VAL 44 N -1.06 4.71 0.36 3.34 1.01 -0.97 -4.93 120.40 122.85 2aff s VAL 44 Ca 0.19 0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.35 2aff s VAL 44 Cb 0.12 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 2aff s VAL 44 CO 0.17 -0.70 -0.16 -0.24 0.00 0.00 0.00 175.10 174.18 2aff n SER 45 N 6.57 -2.45 -0.20 3.32 2.88 -1.26 -3.55 113.62 118.93 2aff n SER 45 Ca 0.01 0.33 -0.08 0.00 -1.33 0.00 0.00 58.87 57.80 2aff n SER 45 Cb 0.48 -0.49 0.02 0.00 -0.75 0.00 0.00 64.21 63.47 2aff n SER 45 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2aff h LYS 46 N -0.12 0.84 0.00 -1.46 1.57 -1.93 -1.89 116.57 113.58 2aff h LYS 46 Ca -0.25 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.25 2aff h LYS 46 Cb 0.84 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 2aff h LYS 46 CO 0.22 0.73 -1.69 1.04 -0.57 0.00 0.00 179.45 179.18 2aff n GLN 47 N -4.49 1.52 0.00 3.15 1.13 -1.26 -2.20 117.38 115.22 2aff n GLN 47 Ca 0.03 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2aff n GLN 47 Cb 0.16 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 29.22 2aff n GLN 47 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2aff n HIS 48 N -2.24 0.00 -4.37 1.08 -0.00 -1.20 -3.97 115.22 104.52 2aff n HIS 48 Ca -0.13 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.86 2aff n HIS 48 Cb 0.67 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.39 2aff n HIS 48 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2aff s LYS 50 N 0.14 1.79 -0.13 0.00 2.20 -0.69 -0.01 119.74 123.05 2aff s LYS 50 Ca -0.02 -0.42 -0.03 0.00 -0.36 0.00 0.00 55.97 55.14 2aff s LYS 50 Cb -0.08 -1.54 -0.03 0.00 -1.51 0.00 0.00 37.83 34.68 2aff s LYS 50 CO 0.00 -0.03 -0.03 0.42 -0.36 0.00 0.00 175.35 175.35 2aff s ILE 51 N 0.87 3.95 -0.16 5.43 1.01 0.17 0.19 121.20 132.66 2aff s ILE 51 Ca -0.10 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.20 2aff s ILE 51 Cb -0.15 -2.69 0.01 0.00 0.01 0.00 0.00 42.46 39.63 2aff s ILE 51 CO 0.01 0.53 -0.19 -0.70 0.00 0.00 0.00 174.94 174.59 2aff s GLU 52 N -0.10 3.08 -0.29 2.79 2.12 0.39 -2.12 118.70 124.57 2aff s GLU 52 Ca 0.02 -0.81 -0.08 0.00 0.36 0.00 0.00 54.97 54.46 2aff s GLU 52 Cb -0.13 -2.54 -0.00 0.00 0.26 0.00 0.00 34.13 31.72 2aff s GLU 52 CO 0.02 -0.06 0.10 0.42 -0.54 0.00 0.00 175.26 175.20 2aff s ILE 53 N 0.95 4.20 -0.01 -3.70 1.01 -0.17 -0.85 121.20 122.63 2aff s ILE 53 Ca -0.03 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.12 2aff s ILE 53 Cb -0.15 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 2aff s ILE 53 CO -0.04 0.12 -0.08 -1.00 0.00 0.00 0.00 174.94 173.95 2aff s HIS 54 N 1.55 2.87 0.57 3.97 3.76 0.28 -4.91 115.29 123.38 2aff s HIS 54 Ca 0.04 -0.05 0.34 0.00 -0.15 0.00 0.00 55.06 55.24 2aff s HIS 54 Cb -0.17 -1.61 1.16 0.00 1.11 0.00 0.00 32.58 33.07 2aff s HIS 54 CO 0.04 0.35 1.35 0.39 -0.85 0.00 0.00 174.74 176.01 2aff n GLU 55 N 1.68 0.01 0.05 1.40 -0.58 -1.26 0.27 120.64 122.21 2aff n GLU 55 Ca -0.16 1.01 -0.02 0.00 -0.42 0.00 0.00 57.16 57.57 2aff n GLU 55 Cb 0.53 -2.45 -0.01 0.00 -0.57 0.00 0.00 31.44 28.93 2aff n GLU 55 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2aff h GLN 56 N 0.00 -0.14 0.00 3.49 5.75 -2.01 -3.49 115.11 118.71 2aff h GLN 56 Ca 0.63 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 59.14 2aff h GLN 56 Cb 3.14 0.03 0.00 0.00 1.07 0.00 0.00 27.48 31.72 2aff h GLN 56 CO -0.01 -0.09 0.00 -0.85 -2.65 0.00 0.00 178.83 175.23 2aff n GLU 57 N -2.57 0.00 -4.48 1.69 0.28 0.14 -5.16 120.64 110.54 2aff n GLU 57 Ca -0.02 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.65 2aff n GLU 57 Cb 0.06 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.80 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2aff s ALA 58 N -1.05 2.95 -0.08 -1.84 0.00 -1.26 -0.55 121.76 119.93 2aff s ALA 58 Ca 0.00 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.17 2aff s ALA 58 Cb 0.00 -1.46 -0.00 0.00 0.00 0.00 0.00 23.12 21.65 2aff s ALA 58 CO 0.00 0.28 -0.23 0.42 0.00 0.00 0.00 175.76 176.23 2aff s ILE 59 N 0.17 1.91 -0.23 0.00 1.01 -0.03 0.97 121.20 125.01 2aff s ILE 59 Ca -0.03 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 2aff s ILE 59 Cb -0.14 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 2aff s ILE 59 CO 0.03 0.53 0.13 -0.22 0.00 0.00 0.00 174.94 175.41 2aff s LEU 60 N 0.17 3.97 -0.10 2.97 2.96 -0.18 -0.46 118.68 128.02 2aff s LEU 60 Ca -0.12 0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 53.86 2aff s LEU 60 Cb -0.16 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 2aff s LEU 60 CO 0.06 0.08 -0.07 -1.00 -1.32 0.00 0.00 176.35 174.10 2aff s HIS 61 N 0.95 2.93 -0.48 5.38 3.76 0.13 -2.01 115.29 125.94 2aff s HIS 61 Ca 0.06 -0.16 -0.17 0.00 -0.15 0.00 0.00 55.06 54.64 2aff s HIS 61 Cb -0.13 -1.79 0.07 0.00 1.11 0.00 0.00 32.58 31.83 2aff s HIS 61 CO 0.03 0.15 0.48 1.21 -0.85 0.00 0.00 174.74 175.76 2aff s ASN 62 N -0.34 6.17 0.00 1.40 3.84 -1.26 -1.71 114.94 123.05 2aff s ASN 62 Ca 0.05 -1.18 0.22 0.00 0.21 0.00 0.00 52.86 52.16 2aff s ASN 62 Cb -0.12 -2.22 -0.04 0.00 -0.55 0.00 0.00 41.25 38.31 2aff s ASN 62 CO 0.02 -0.73 1.04 0.49 -2.79 0.00 0.00 177.10 175.13 2aff n PHE 63 N 5.55 0.00 -2.46 0.43 3.01 -0.66 -4.82 117.46 118.51 2aff n PHE 63 Ca -0.10 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.96 2aff n PHE 63 Cb 0.44 -0.04 -0.03 0.00 -0.01 0.00 0.00 39.48 39.85 2aff n PHE 63 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2aff s SER 64 N -2.86 6.05 0.01 4.37 0.15 -0.27 -4.61 113.70 116.54 2aff s SER 64 Ca 0.11 -0.49 0.01 0.00 0.70 0.00 0.00 55.95 56.29 2aff s SER 64 Cb 0.17 -2.56 -0.26 0.00 -1.71 0.00 0.00 66.02 61.66 2aff s SER 64 CO 0.77 -1.90 0.89 0.28 1.20 0.00 0.00 173.24 174.48 2aff h SER 65 N 10.75 0.26 0.05 5.45 0.02 -1.90 -3.04 113.55 125.15 2aff h SER 65 Ca -0.20 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.38 2aff h SER 65 Cb 1.06 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2aff h SER 65 CO 1.29 1.31 -0.02 0.74 -1.14 0.00 0.00 176.83 179.01 2aff h THR 66 N 0.05 1.10 -2.88 -2.27 2.02 -2.00 -3.40 112.91 105.52 2aff h THR 66 Ca -0.21 -0.50 -0.57 0.00 0.77 0.00 0.00 66.41 65.90 2aff h THR 66 Cb 1.97 1.43 -0.40 0.00 -1.74 0.00 0.00 68.15 69.42 2aff h THR 66 CO 0.14 0.13 -0.78 0.20 0.37 0.00 0.00 175.52 175.58 2aff s ASN 67 N -5.35 3.59 0.43 4.18 0.01 -1.26 -5.13 114.94 111.41 2aff s ASN 67 Ca -0.14 -1.74 -0.25 0.00 -0.71 0.00 0.00 52.86 50.02 2aff s ASN 67 Cb 0.04 -0.60 -0.10 0.00 0.41 0.00 0.00 41.25 41.00 2aff s ASN 67 CO 0.65 -0.39 1.16 -2.65 -1.51 0.00 0.00 177.10 174.37 2aff n PRO 68 N 4.68 1.65 -2.37 -0.60 -0.02 -1.15 -4.70 135.00 132.50 2aff n PRO 68 Ca 0.01 0.59 -0.40 0.00 -2.02 0.00 0.00 63.50 61.68 2aff n PRO 68 Cb 0.40 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 2aff n PRO 68 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2aff s THR 69 N -1.24 3.26 -0.09 3.45 2.01 -1.26 -4.82 115.64 116.94 2aff s THR 69 Ca 0.63 1.25 -0.04 0.00 0.31 0.00 0.00 61.69 63.84 2aff s THR 69 Cb -0.52 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 2aff s THR 69 CO 0.57 0.28 0.06 -1.10 -0.69 0.00 0.00 174.62 173.74 2aff s GLN 70 N -1.61 3.17 -0.02 4.92 -0.21 -0.46 -2.37 119.66 123.08 2aff s GLN 70 Ca 0.47 -0.30 0.03 0.00 0.02 0.00 0.00 55.36 55.58 2aff s GLN 70 Cb -0.34 -2.95 -0.00 0.00 1.00 0.00 0.00 33.01 30.71 2aff s GLN 70 CO 0.44 0.73 -0.12 0.08 -2.12 0.00 0.00 175.29 174.30 2aff s VAL 71 N -0.96 1.01 -1.33 1.09 1.01 0.86 0.14 120.40 122.22 2aff s VAL 71 Ca 0.15 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2aff s VAL 71 Cb -0.12 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.41 2aff s VAL 71 CO 0.04 0.30 0.26 0.59 0.00 0.00 0.00 175.10 176.28 2aff n ASN 72 N 3.08 -4.63 -1.26 3.32 5.03 -0.97 -0.13 115.26 119.69 2aff n ASN 72 Ca -0.17 -0.09 -0.11 0.00 0.87 0.00 0.00 54.58 55.08 2aff n ASN 72 Cb 0.54 -3.84 -0.01 0.00 -1.02 0.00 0.00 39.78 35.45 2aff n ASN 72 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2aff n GLY 73 N -1.09 0.01 2.88 7.41 0.00 -1.26 -5.02 105.19 108.12 2aff n GLY 73 Ca -0.12 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 2aff n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aff s SER 74 N -2.52 -0.02 0.23 1.61 0.01 0.81 -5.12 113.70 108.69 2aff s SER 74 Ca 0.00 0.11 -0.30 0.00 1.31 0.00 0.00 55.95 57.07 2aff s SER 74 Cb 0.00 0.06 -0.09 0.00 0.21 0.00 0.00 66.02 66.20 2aff s SER 74 CO 0.00 -0.07 1.24 0.54 0.41 0.00 0.00 173.24 175.36 2aff s VAL 75 N 0.50 3.28 -0.07 3.43 0.11 -1.26 -0.10 120.40 126.30 2aff s VAL 75 Ca -0.04 1.13 0.00 0.00 -2.93 0.00 0.00 61.98 60.14 2aff s VAL 75 Cb -0.06 -3.72 0.02 0.00 -1.53 0.00 0.00 36.38 31.10 2aff s VAL 75 CO -0.02 0.20 -0.05 -0.51 -3.33 0.00 0.00 175.10 171.39 2aff s ILE 76 N -0.33 0.70 -1.19 7.04 -1.16 -1.00 -4.92 121.20 120.34 2aff s ILE 76 Ca 0.52 -0.16 0.22 0.00 -0.51 0.00 0.00 60.65 60.72 2aff s ILE 76 Cb -0.35 -0.74 -0.17 0.00 0.61 0.00 0.00 42.46 41.81 2aff s ILE 76 CO 0.40 0.29 0.97 0.47 -2.81 0.00 0.00 174.94 174.26 2aff n ASP 77 N 4.47 1.15 -4.45 4.50 8.00 -1.26 -4.23 116.55 124.73 2aff n ASP 77 Ca -0.18 -1.05 -0.26 0.00 0.71 0.00 0.00 54.79 54.02 2aff n ASP 77 Cb 0.51 0.86 -0.11 0.00 -0.02 0.00 0.00 41.12 42.35 2aff n ASP 77 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2aff s GLU 78 N -2.90 1.63 0.57 -1.24 2.02 -1.26 -4.85 118.70 112.67 2aff s GLU 78 Ca 0.10 -1.61 -0.20 0.00 0.02 0.00 0.00 54.97 53.28 2aff s GLU 78 Cb 0.16 -1.84 -0.04 0.00 0.10 0.00 0.00 34.13 32.52 2aff s GLU 78 CO 0.80 0.37 1.29 -1.25 0.02 0.00 0.00 175.26 176.49 2aff s PRO 79 N -3.04 3.01 -0.02 0.39 0.04 -1.26 -4.78 135.00 129.34 2aff s PRO 79 Ca 0.25 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.29 2aff s PRO 79 Cb -0.07 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2aff s PRO 79 CO 0.12 -1.24 0.12 0.14 0.04 0.00 0.00 177.00 176.19 2aff s VAL 80 N -1.42 0.05 0.07 -0.36 -7.23 -0.85 -4.99 120.40 105.67 2aff s VAL 80 Ca 0.75 -0.40 -0.31 0.00 -1.81 0.00 0.00 61.98 60.21 2aff s VAL 80 Cb -0.36 -0.31 -0.06 0.00 0.56 0.00 0.00 36.38 36.21 2aff s VAL 80 CO 0.41 -0.22 1.23 -0.13 -0.31 0.00 0.00 175.10 176.08 2aff s ARG 81 N -0.73 4.42 0.16 4.82 0.52 -1.26 -1.01 118.95 125.86 2aff s ARG 81 Ca -0.08 1.82 -0.23 0.00 -0.52 0.00 0.00 55.73 56.72 2aff s ARG 81 Cb -0.05 -3.33 -0.08 0.00 0.52 0.00 0.00 34.95 32.02 2aff s ARG 81 CO 0.01 -0.28 0.73 -0.51 0.02 0.00 0.00 175.30 175.27 2aff s LEU 82 N 1.02 4.54 0.11 2.53 1.43 0.27 -4.92 118.68 123.66 2aff s LEU 82 Ca 0.59 1.54 0.03 0.00 -1.03 0.00 0.00 54.13 55.26 2aff s LEU 82 Cb -0.31 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 2aff s LEU 82 CO 0.30 0.20 -0.09 -0.54 0.23 0.00 0.00 176.35 176.44 2aff s LYS 83 N -1.27 0.88 -0.06 1.70 1.02 -1.26 -4.28 119.74 116.47 2aff s LYS 83 Ca 0.35 -1.26 -0.30 0.00 0.02 0.00 0.00 55.97 54.78 2aff s LYS 83 Cb -0.21 -0.45 -0.09 0.00 -0.52 0.00 0.00 37.83 36.56 2aff s LYS 83 CO 0.24 0.05 2.03 1.58 -0.92 0.00 0.00 175.35 178.33 2aff n HIS 84 N 0.25 2.32 0.00 3.18 -0.00 -1.26 -0.80 115.22 118.90 2aff n HIS 84 Ca -0.14 -0.24 0.00 0.00 -0.00 0.00 0.00 57.72 57.35 2aff n HIS 84 Cb 0.59 -2.76 0.00 0.00 -0.00 0.00 0.00 29.99 27.83 2aff n HIS 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2aff n GLY 85 N 4.91 0.77 3.68 1.57 0.00 -0.99 -5.00 105.19 110.13 2aff n GLY 85 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 2aff n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aff s ASP 86 N -1.48 6.90 -0.14 1.61 -1.08 0.02 -4.90 116.67 117.60 2aff s ASP 86 Ca 0.00 1.09 -0.06 0.00 -0.52 0.00 0.00 52.55 53.07 2aff s ASP 86 Cb 0.00 -2.42 -0.04 0.00 -1.46 0.00 0.00 42.92 39.00 2aff s ASP 86 CO 0.00 -0.29 0.07 0.54 0.52 0.00 0.00 175.17 176.01 2aff s VAL 87 N 1.71 4.89 -0.18 1.11 0.11 -1.26 -1.63 120.40 125.15 2aff s VAL 87 Ca 0.36 -0.01 -0.14 0.00 -2.93 0.00 0.00 61.98 59.25 2aff s VAL 87 Cb -0.17 -3.15 -0.04 0.00 -1.53 0.00 0.00 36.38 31.49 2aff s VAL 87 CO 0.14 0.54 0.30 -0.63 -3.33 0.00 0.00 175.10 172.12 2aff s ILE 88 N -0.35 5.29 -0.15 7.04 -1.09 0.42 -2.30 121.20 130.05 2aff s ILE 88 Ca 0.09 0.55 0.01 0.00 -2.23 0.00 0.00 60.65 59.07 2aff s ILE 88 Cb -0.12 -3.64 0.02 0.00 -1.58 0.00 0.00 42.46 37.14 2aff s ILE 88 CO 0.02 0.35 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.01 2aff s THR 89 N 0.75 1.76 -0.19 2.92 2.01 0.38 0.61 115.64 123.87 2aff s THR 89 Ca 0.16 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.36 2aff s THR 89 Cb -0.13 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 2aff s THR 89 CO 0.05 0.49 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.80 2aff s ILE 90 N 1.26 3.65 0.00 1.82 1.01 0.60 -1.35 121.20 128.19 2aff s ILE 90 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.24 2aff s ILE 90 Cb -0.14 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.70 2aff s ILE 90 CO -0.09 0.45 0.00 -0.38 0.00 0.00 0.00 174.94 174.92 2aff n ILE 91 N 4.20 0.00 -0.63 2.92 5.41 -1.26 0.28 119.36 130.29 2aff n ILE 91 Ca -0.18 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.64 2aff n ILE 91 Cb 0.52 0.00 0.18 0.00 -0.71 0.00 0.00 39.64 39.63 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2aff n ASP 92 N 1.97 3.18 -4.11 4.38 2.03 -1.26 -4.98 116.55 117.77 2aff n ASP 92 Ca 0.00 -2.58 -0.22 0.00 0.52 0.00 0.00 54.79 52.51 2aff n ASP 92 Cb 0.00 -0.37 -0.15 0.00 -0.72 0.00 0.00 41.12 39.88 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2aff s ARG 93 N -2.03 1.11 0.06 -0.67 0.52 0.80 -4.15 118.95 114.58 2aff s ARG 93 Ca 0.30 -0.53 0.01 0.00 -0.52 0.00 0.00 55.73 55.00 2aff s ARG 93 Cb 0.22 -1.08 -0.03 0.00 0.52 0.00 0.00 34.95 34.58 2aff s ARG 93 CO 0.09 0.29 -0.06 -1.12 0.02 0.00 0.00 175.30 174.53 2aff s SER 94 N -0.41 0.80 -0.13 0.23 0.01 -1.26 0.22 113.70 113.15 2aff s SER 94 Ca 0.05 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 56.56 2aff s SER 94 Cb -0.06 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.28 2aff s SER 94 CO -0.00 -0.36 -0.14 -0.36 0.41 0.00 0.00 173.24 172.79 2aff s PHE 95 N -2.50 2.05 0.02 2.43 0.40 0.20 -1.19 117.98 119.40 2aff s PHE 95 Ca -0.01 -1.10 -0.24 0.00 -0.60 0.00 0.00 56.93 54.98 2aff s PHE 95 Cb -0.02 -1.52 -0.05 0.00 0.51 0.00 0.00 43.02 41.94 2aff s PHE 95 CO -0.03 -0.60 0.72 1.03 0.70 0.00 0.00 175.22 177.04 2aff s ARG 96 N 1.38 4.45 -0.22 0.44 0.52 -0.63 -0.43 118.95 124.45 2aff s ARG 96 Ca 0.02 0.97 -0.17 0.00 -0.52 0.00 0.00 55.73 56.04 2aff s ARG 96 Cb -0.13 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 2aff s ARG 96 CO -0.08 0.27 0.44 -0.47 0.02 0.00 0.00 175.30 175.48 2aff s TYR 97 N 0.03 3.35 -0.15 -0.53 5.04 -0.65 -2.04 117.35 122.40 2aff s TYR 97 Ca 0.37 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.64 2aff s TYR 97 Cb -0.20 -2.59 0.03 0.00 0.35 0.00 0.00 41.96 39.55 2aff s TYR 97 CO 0.21 -0.09 -0.13 -1.21 -1.34 0.00 0.00 175.55 172.99 2aff s GLU 98 N 1.60 2.17 -0.41 4.97 2.02 -0.69 -2.36 118.70 126.01 2aff s GLU 98 Ca 0.20 -0.56 -0.15 0.00 0.02 0.00 0.00 54.97 54.48 2aff s GLU 98 Cb -0.15 -2.09 0.02 0.00 0.10 0.00 0.00 34.13 32.01 2aff s GLU 98 CO 0.09 -0.27 0.31 1.21 0.02 0.00 0.00 175.26 176.62 2aff s ASN 99 N 1.50 6.12 0.00 -0.19 3.84 -1.26 -1.14 114.94 123.81 2aff s ASN 99 Ca 0.04 -0.88 0.00 0.00 0.21 0.00 0.00 52.86 52.23 2aff s ASN 99 Cb -0.13 -2.16 0.00 0.00 -0.55 0.00 0.00 41.25 38.40 2aff s ASN 99 CO -0.10 -0.46 0.00 -0.62 -2.79 0.00 0.00 177.10 173.13