#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 1.48 -3.35 3.45 -1.04 -1.26 -4.95 114.28 108.60 2aff n THR 4 Ca 0.00 -0.09 -0.38 0.00 -2.04 0.00 0.00 64.05 61.55 2aff n THR 4 Cb 0.00 -2.11 -0.06 0.00 -1.82 0.00 0.00 70.33 66.34 2aff n THR 4 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2aff s ARG 5 N -2.70 4.30 0.00 -2.82 0.52 -1.26 -1.82 118.95 115.17 2aff s ARG 5 Ca -0.32 0.41 0.05 0.00 -0.52 0.00 0.00 55.73 55.35 2aff s ARG 5 Cb 0.09 -3.42 -0.01 0.00 0.52 0.00 0.00 34.95 32.12 2aff s ARG 5 CO 0.44 0.21 -0.15 1.03 0.02 0.00 0.00 175.30 176.85 2aff s ARG 6 N 0.47 1.15 -0.06 3.54 0.52 -0.63 -2.08 118.95 121.86 2aff s ARG 6 Ca 0.25 -0.60 0.05 0.00 -0.52 0.00 0.00 55.73 54.91 2aff s ARG 6 Cb -0.15 -1.13 -0.02 0.00 0.52 0.00 0.00 34.95 34.17 2aff s ARG 6 CO 0.10 0.30 -0.21 -1.17 0.02 0.00 0.00 175.30 174.34 2aff s LEU 7 N -0.55 2.31 -0.13 2.53 2.96 -0.59 -1.50 118.68 123.71 2aff s LEU 7 Ca 0.05 -0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 53.56 2aff s LEU 7 Cb -0.06 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 2aff s LEU 7 CO -0.00 0.27 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.48 2aff s VAL 8 N -0.30 3.02 -0.33 1.68 1.01 -0.91 0.94 120.40 125.51 2aff s VAL 8 Ca 0.01 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 2aff s VAL 8 Cb -0.13 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 2aff s VAL 8 CO 0.02 0.53 0.45 -0.89 0.00 0.00 0.00 175.10 175.21 2aff s THR 9 N 0.34 5.09 0.36 3.92 2.01 -0.86 -1.99 115.64 124.51 2aff s THR 9 Ca -0.11 0.33 -0.15 0.00 0.31 0.00 0.00 61.69 62.07 2aff s THR 9 Cb -0.16 -3.87 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 2aff s THR 9 CO 0.06 -0.10 0.78 -0.63 -0.69 0.00 0.00 174.62 174.03 2aff s ILE 10 N 2.23 4.66 0.40 1.82 1.01 -1.00 -2.23 121.20 128.08 2aff s ILE 10 Ca 0.16 0.97 -0.00 0.00 0.00 0.00 0.00 60.65 61.78 2aff s ILE 10 Cb -0.16 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 2aff s ILE 10 CO 0.12 -0.28 0.62 -0.54 0.00 0.00 0.00 174.94 174.86 2aff s LYS 11 N -3.19 3.39 0.54 2.79 1.02 0.23 -4.53 119.74 119.98 2aff s LYS 11 Ca 0.55 -0.29 0.22 0.00 0.02 0.00 0.00 55.97 56.47 2aff s LYS 11 Cb -0.10 -2.59 1.39 0.00 -0.52 0.00 0.00 37.83 36.01 2aff s LYS 11 CO 0.20 -0.02 2.08 0.00 -0.92 0.00 0.00 175.35 176.69 2aff h ARG 12 N 0.57 0.00 0.00 1.68 3.08 -1.88 0.35 114.38 118.18 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 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2aff h ARG 12 CO 0.60 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.37 2aff n SER 13 N -4.35 0.18 0.00 7.04 3.41 -1.26 -4.88 113.62 113.75 2aff n SER 13 Ca 0.03 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 2aff n SER 13 Cb 0.35 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 1.06 1.30 3.40 5.00 0.00 0.12 -5.08 105.19 110.98 2aff n GLY 14 Ca 0.06 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 2.99 0.07 1.61 1.01 -1.24 -4.85 120.40 117.98 2aff s VAL 15 Ca 0.00 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 60.96 2aff s VAL 15 Cb 0.00 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 2aff s VAL 15 CO 0.00 0.55 1.42 -0.62 0.00 0.00 0.00 175.10 176.45 2aff s ASP 16 N -0.05 6.82 0.00 3.32 -1.08 -1.26 -0.60 116.67 123.81 2aff s ASP 16 Ca -0.03 2.26 0.00 0.00 -0.52 0.00 0.00 52.55 54.25 2aff s ASP 16 Cb -0.14 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 2aff s ASP 16 CO 0.04 -0.70 0.00 0.61 0.52 0.00 0.00 175.17 175.64 2aff n GLY 17 N 3.60 1.84 3.79 2.66 0.00 -0.95 -4.94 105.19 111.20 2aff n GLY 17 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 3.37 3.83 0.12 1.61 0.04 -1.26 -4.81 135.00 137.90 2aff s PRO 18 Ca 0.00 1.43 0.06 0.00 0.04 0.00 0.00 61.00 62.53 2aff s PRO 18 Cb 0.00 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2aff s PRO 18 CO 0.00 -0.42 0.01 -3.38 0.04 0.00 0.00 177.00 173.25 2aff s HIS 19 N -1.88 2.95 -0.30 0.56 -3.43 -1.26 -2.02 115.29 109.91 2aff s HIS 19 Ca 0.66 -0.06 0.03 0.00 -0.80 0.00 0.00 55.06 54.88 2aff s HIS 19 Cb -0.19 -1.49 0.08 0.00 -1.43 0.00 0.00 32.58 29.56 2aff s HIS 19 CO 0.23 0.49 -0.01 0.12 -2.00 0.00 0.00 174.74 173.56 2aff s PHE 20 N -1.46 3.33 -0.03 0.38 5.36 0.27 -4.96 117.98 120.87 2aff s PHE 20 Ca 0.26 -2.57 -0.30 0.00 -0.96 0.00 0.00 56.93 53.36 2aff s PHE 20 Cb -0.11 -2.37 -0.03 0.00 -0.34 0.00 0.00 43.02 40.17 2aff s PHE 20 CO 0.19 -0.90 1.10 -1.25 -1.46 0.00 0.00 175.22 172.89 2aff s PRO 21 N 1.06 4.44 -1.26 10.12 0.04 -1.26 -1.55 135.00 146.59 2aff s PRO 21 Ca 0.02 1.56 -0.19 0.00 0.04 0.00 0.00 61.00 62.43 2aff s PRO 21 Cb -0.19 -3.49 0.03 0.00 0.04 0.00 0.00 34.50 30.89 2aff s PRO 21 CO -0.08 -0.28 1.78 -0.51 0.04 0.00 0.00 177.00 177.96 2aff s LEU 22 N 1.65 3.62 0.04 -3.56 1.43 -0.88 -4.63 118.68 116.34 2aff s LEU 22 Ca 0.54 -2.21 0.27 0.00 -1.03 0.00 0.00 54.13 51.70 2aff s LEU 22 Cb -0.23 -2.58 0.95 0.00 0.03 0.00 0.00 46.19 44.36 2aff s LEU 22 CO 0.24 -1.70 1.75 -1.54 0.23 0.00 0.00 176.35 175.33 2aff n SER 23 N 10.03 0.28 -4.70 2.29 3.41 -1.26 -4.71 113.62 118.96 2aff n SER 23 Ca 0.47 0.31 -0.31 0.00 -0.26 0.00 0.00 58.87 59.09 2aff n SER 23 Cb 0.46 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 64.01 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 -3.29 3.53 0.18 1.04 1.43 -1.26 -5.01 118.68 115.30 2aff s LEU 24 Ca 0.12 -0.12 0.22 0.00 -1.03 0.00 0.00 54.13 53.33 2aff s LEU 24 Cb 0.17 -2.21 0.89 0.00 0.03 0.00 0.00 46.19 45.08 2aff s LEU 24 CO 0.59 0.20 1.68 -1.54 0.23 0.00 0.00 176.35 177.51 2aff n SER 25 N 0.71 0.51 -4.02 2.29 3.41 -1.26 -4.66 113.62 110.61 2aff n SER 25 Ca -0.11 0.61 -0.24 0.00 -0.26 0.00 0.00 58.87 58.87 2aff n SER 25 Cb 0.52 -0.72 -0.16 0.00 -0.26 0.00 0.00 64.21 63.59 2aff n SER 25 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2aff s THR 26 N -3.20 1.05 -0.13 6.66 2.01 -1.26 -0.94 115.64 119.83 2aff s THR 26 Ca 0.06 -0.45 -0.00 0.00 0.31 0.00 0.00 61.69 61.62 2aff s THR 26 Cb 0.10 -0.96 0.03 0.00 0.01 0.00 0.00 72.50 71.68 2aff s THR 26 CO 0.41 0.33 -0.09 0.00 -0.69 0.00 0.00 174.62 174.57 2aff s LEU 28 N 1.64 2.11 -0.24 0.00 2.96 -1.26 0.02 118.68 123.91 2aff s LEU 28 Ca 0.05 -0.60 -0.12 0.00 -0.22 0.00 0.00 54.13 53.24 2aff s LEU 28 Cb -0.13 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.07 2aff s LEU 28 CO -0.09 0.08 0.21 -0.36 -1.32 0.00 0.00 176.35 174.87 2aff s PHE 29 N 0.79 3.31 0.00 5.38 0.40 0.62 0.39 117.98 128.87 2aff s PHE 29 Ca -0.08 0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 2aff s PHE 29 Cb -0.16 -2.33 0.00 0.00 0.51 0.00 0.00 43.02 41.04 2aff s PHE 29 CO -0.01 0.02 0.00 0.41 0.70 0.00 0.00 175.22 176.34 2aff n GLY 30 N 4.32 1.14 0.03 4.36 0.00 -0.68 -2.46 105.19 111.90 2aff n GLY 30 Ca -0.14 -0.51 0.01 0.00 0.00 0.00 0.00 46.02 45.39 2aff n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aff n ARG 31 N 0.00 1.09 -0.91 1.61 1.74 -1.00 -2.21 116.66 116.98 2aff n ARG 31 Ca 0.00 -0.07 -0.30 0.00 -0.77 0.00 0.00 57.85 56.71 2aff n ARG 31 Cb 0.00 -1.31 0.18 0.00 -1.02 0.00 0.00 32.46 30.30 2aff n ARG 31 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2aff s GLY 32 N -3.95 1.61 0.17 -0.13 0.00 -1.25 -4.91 107.32 98.87 2aff s GLY 32 Ca -0.05 0.07 -0.10 0.00 0.00 0.00 0.00 44.72 44.64 2aff s GLY 32 CO 0.53 0.60 1.60 1.19 0.00 0.00 0.00 173.10 177.02 2aff h ILE 33 N -1.92 1.27 -0.44 0.90 6.09 -1.95 -2.77 117.51 118.69 2aff h ILE 33 Ca -0.51 -1.27 0.07 0.00 -1.37 0.00 0.00 64.86 61.78 2aff h ILE 33 Cb 1.29 0.94 -0.02 0.00 0.47 0.00 0.00 36.82 39.50 2aff h ILE 33 CO 0.50 0.45 0.30 -0.33 -3.07 0.00 0.00 178.15 176.00 2aff h GLU 34 N 0.93 0.31 -6.10 2.19 5.08 -1.97 -3.42 114.58 111.60 2aff h GLU 34 Ca 0.14 -0.02 -0.70 0.00 -1.00 0.00 0.00 59.36 57.78 2aff h GLU 34 Cb 0.68 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2aff h GLU 34 CO 0.05 0.20 1.13 0.00 -1.00 0.00 0.00 179.01 179.39 2aff h ASP 36 N 9.31 0.00 -3.27 0.00 2.03 -0.32 -3.36 116.42 120.81 2aff h ASP 36 Ca -0.38 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.37 2aff h ASP 36 Cb 1.32 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 39.44 2aff h ASP 36 CO 0.99 0.00 -0.80 -0.63 -1.03 0.00 0.00 179.24 177.77 2aff s ILE 37 N -5.02 1.08 -0.12 4.15 1.01 -0.35 -4.93 121.20 117.01 2aff s ILE 37 Ca -0.05 -0.49 -0.06 0.00 0.00 0.00 0.00 60.65 60.04 2aff s ILE 37 Cb 0.18 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 2aff s ILE 37 CO 0.68 0.22 0.11 -0.13 0.00 0.00 0.00 174.94 175.83 2aff s ARG 38 N 1.66 3.45 -0.10 2.79 0.52 -1.26 -1.69 118.95 124.33 2aff s ARG 38 Ca 0.02 -0.19 0.04 0.00 -0.52 0.00 0.00 55.73 55.08 2aff s ARG 38 Cb -0.14 -3.15 -0.00 0.00 0.52 0.00 0.00 34.95 32.18 2aff s ARG 38 CO -0.08 0.71 -0.24 0.42 0.02 0.00 0.00 175.30 176.13 2aff s ILE 39 N -0.83 2.11 -0.81 1.52 1.01 -0.94 -4.97 121.20 118.28 2aff s ILE 39 Ca 0.14 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.78 2aff s ILE 39 Cb -0.12 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.55 2aff s ILE 39 CO 0.03 0.56 0.40 0.00 0.00 0.00 0.00 174.94 175.93 2aff n GLN 40 N 3.45 0.68 -3.19 2.79 6.02 -1.26 -4.74 117.38 121.13 2aff n GLN 40 Ca -0.19 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.41 2aff n GLN 40 Cb 0.53 -1.30 -0.06 0.00 1.02 0.00 0.00 30.24 30.42 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 4.14 0.00 1.08 1.43 -1.26 -4.94 118.68 119.13 2aff s LEU 41 Ca 0.00 0.73 0.20 0.00 -1.03 0.00 0.00 54.13 54.03 2aff s LEU 41 Cb 0.00 -2.78 0.89 0.00 0.03 0.00 0.00 46.19 44.33 2aff s LEU 41 CO 0.00 -0.23 1.62 -0.81 0.23 0.00 0.00 176.35 177.16 2aff n PRO 42 N 4.96 0.10 -0.17 1.29 -0.04 -1.26 -2.45 135.00 137.43 2aff n PRO 42 Ca -0.03 0.14 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 2aff n PRO 42 Cb 0.50 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.43 0.48 -3.28 0.52 0.24 -1.26 -4.85 118.33 108.76 2aff n VAL 43 Ca 0.06 -0.74 -0.44 0.00 -2.04 0.00 0.00 64.34 61.19 2aff n VAL 43 Cb 0.20 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.50 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 -1.45 5.05 0.69 3.34 1.01 -1.02 -4.90 120.40 123.11 2aff s VAL 44 Ca 0.36 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 2aff s VAL 44 Cb 0.21 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 32.31 2aff s VAL 44 CO 0.30 -0.62 -0.71 -0.24 0.00 0.00 0.00 175.10 173.82 2aff n SER 45 N 5.71 -3.58 -0.30 3.32 2.88 -1.26 -4.45 113.62 115.94 2aff n SER 45 Ca -0.09 0.09 -0.05 0.00 -1.33 0.00 0.00 58.87 57.50 2aff n SER 45 Cb 0.45 -0.47 0.07 0.00 -0.75 0.00 0.00 64.21 63.51 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 -0.69 1.13 0.00 -1.46 1.57 -1.94 -3.20 116.57 111.97 2aff h LYS 46 Ca -0.29 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2aff h LYS 46 Cb 0.92 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2aff h LYS 46 CO 0.16 0.84 -1.27 1.04 -0.57 0.00 0.00 179.45 179.65 2aff n GLN 47 N -4.40 1.11 0.00 3.15 1.13 -1.26 -2.38 117.38 114.73 2aff n GLN 47 Ca 0.08 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2aff n GLN 47 Cb 0.10 -1.21 0.00 0.00 0.11 0.00 0.00 30.24 29.24 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 -1.73 0.00 -4.16 1.08 -0.00 -1.14 -4.10 115.22 105.17 2aff n HIS 48 Ca -0.01 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.01 2aff n HIS 48 Cb 0.27 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.99 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 -0.10 1.95 -0.11 0.00 2.20 0.14 -0.28 119.74 123.56 2aff s LYS 50 Ca 0.02 -0.55 0.01 0.00 -0.36 0.00 0.00 55.97 55.09 2aff s LYS 50 Cb -0.02 -1.60 -0.01 0.00 -1.51 0.00 0.00 37.83 34.68 2aff s LYS 50 CO -0.00 0.12 -0.16 0.42 -0.36 0.00 0.00 175.35 175.37 2aff s ILE 51 N 0.41 2.84 -0.11 5.43 1.01 0.10 0.99 121.20 131.86 2aff s ILE 51 Ca -0.12 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.80 2aff s ILE 51 Cb -0.15 -2.16 -0.00 0.00 0.01 0.00 0.00 42.46 40.16 2aff s ILE 51 CO 0.04 0.54 -0.20 -0.70 0.00 0.00 0.00 174.94 174.62 2aff s GLU 52 N 0.14 3.16 -0.21 2.79 2.12 0.66 -1.41 118.70 125.94 2aff s GLU 52 Ca -0.08 -0.81 -0.04 0.00 0.36 0.00 0.00 54.97 54.39 2aff s GLU 52 Cb -0.15 -2.43 -0.02 0.00 0.26 0.00 0.00 34.13 31.80 2aff s GLU 52 CO 0.05 0.17 -0.02 0.42 -0.54 0.00 0.00 175.26 175.33 2aff s ILE 53 N 0.41 3.61 -0.03 -3.70 1.01 -0.11 -0.53 121.20 121.86 2aff s ILE 53 Ca -0.15 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.14 2aff s ILE 53 Cb -0.17 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 2aff s ILE 53 CO 0.07 0.42 -0.19 -1.00 0.00 0.00 0.00 174.94 174.24 2aff s HIS 54 N 1.30 2.55 0.55 3.97 3.76 0.72 -4.89 115.29 123.25 2aff s HIS 54 Ca 0.04 -0.27 0.50 0.00 -0.15 0.00 0.00 55.06 55.18 2aff s HIS 54 Cb -0.14 -1.57 1.73 0.00 1.11 0.00 0.00 32.58 33.71 2aff s HIS 54 CO -0.01 0.11 1.56 0.39 -0.85 0.00 0.00 174.74 175.94 2aff n GLU 55 N 2.31 -0.00 0.05 1.40 1.02 -1.26 0.11 120.64 124.27 2aff n GLU 55 Ca -0.17 1.10 -0.02 0.00 -0.02 0.00 0.00 57.16 58.05 2aff n GLU 55 Cb 0.52 -2.51 -0.01 0.00 -0.02 0.00 0.00 31.44 29.42 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2aff h GLN 56 N 0.00 -0.12 0.00 3.49 4.20 -2.02 -3.49 115.11 117.17 2aff h GLN 56 Ca 0.94 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.63 2aff h GLN 56 Cb 3.76 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 31.56 2aff h GLN 56 CO -0.03 -0.08 -0.00 0.39 -0.67 0.00 0.00 178.83 178.43 2aff n GLU 57 N -2.42 0.13 -4.24 1.46 -0.58 0.12 -5.15 120.64 109.96 2aff n GLU 57 Ca -0.02 -0.39 -0.34 0.00 -0.42 0.00 0.00 57.16 55.99 2aff n GLU 57 Cb 0.05 0.41 -0.14 0.00 -0.57 0.00 0.00 31.44 31.19 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2aff s ALA 58 N -1.56 2.80 -0.12 0.62 0.00 -1.26 -0.20 121.76 122.03 2aff s ALA 58 Ca 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2aff s ALA 58 Cb -0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 2aff s ALA 58 CO 0.03 -0.12 -0.13 0.42 0.00 0.00 0.00 175.76 175.95 2aff s ILE 59 N 0.96 3.03 -0.18 0.00 1.01 0.31 0.14 121.20 126.47 2aff s ILE 59 Ca -0.01 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 2aff s ILE 59 Cb -0.15 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 2aff s ILE 59 CO 0.00 0.53 0.06 -0.22 0.00 0.00 0.00 174.94 175.31 2aff s LEU 60 N 0.21 3.77 -0.06 2.97 2.96 -0.28 -0.25 118.68 128.01 2aff s LEU 60 Ca -0.08 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.92 2aff s LEU 60 Cb -0.15 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 2aff s LEU 60 CO 0.05 0.17 -0.16 -1.00 -1.32 0.00 0.00 176.35 174.09 2aff s HIS 61 N 0.41 2.66 -0.39 5.38 3.76 0.28 -1.77 115.29 125.61 2aff s HIS 61 Ca 0.03 -0.31 -0.13 0.00 -0.15 0.00 0.00 55.06 54.50 2aff s HIS 61 Cb -0.13 -1.65 0.02 0.00 1.11 0.00 0.00 32.58 31.94 2aff s HIS 61 CO 0.00 0.07 0.25 1.21 -0.85 0.00 0.00 174.74 175.43 2aff s ASN 62 N -0.51 5.93 0.00 1.40 3.84 -1.26 -0.68 114.94 123.66 2aff s ASN 62 Ca 0.07 -0.90 0.23 0.00 0.21 0.00 0.00 52.86 52.47 2aff s ASN 62 Cb -0.12 -2.10 0.09 0.00 -0.55 0.00 0.00 41.25 38.58 2aff s ASN 62 CO 0.01 -0.40 1.15 0.49 -2.79 0.00 0.00 177.10 175.56 2aff n PHE 63 N 5.08 0.00 -2.14 0.43 3.01 -0.69 -4.85 117.46 118.31 2aff n PHE 63 Ca -0.12 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.95 2aff n PHE 63 Cb 0.47 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.89 2aff n PHE 63 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2aff s SER 64 N -2.54 5.47 0.33 4.37 0.01 -0.14 -4.66 113.70 116.55 2aff s SER 64 Ca 0.18 0.25 0.22 0.00 1.31 0.00 0.00 55.95 57.91 2aff s SER 64 Cb 0.18 -2.53 0.18 0.00 0.21 0.00 0.00 66.02 64.06 2aff s SER 64 CO 0.59 -2.24 1.36 0.28 0.41 0.00 0.00 173.24 173.65 2aff h SER 65 N 13.92 0.00 0.11 2.44 0.02 -1.90 -3.25 113.55 124.90 2aff h SER 65 Ca -0.27 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.33 2aff h SER 65 Cb 1.14 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 2aff h SER 65 CO 1.22 0.05 -1.97 0.41 -1.14 0.00 0.00 176.83 175.40 2aff n THR 66 N -2.94 1.75 -3.53 -2.27 -1.04 -1.26 -4.81 114.28 100.18 2aff n THR 66 Ca 0.02 -0.60 -0.29 0.00 -2.04 0.00 0.00 64.05 61.14 2aff n THR 66 Cb 0.56 -1.75 -0.14 0.00 -1.82 0.00 0.00 70.33 67.19 2aff n THR 66 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2aff s ASN 67 N -7.01 3.33 0.46 8.00 0.01 -1.25 -5.14 114.94 113.34 2aff s ASN 67 Ca -0.24 -1.77 -0.24 0.00 -0.71 0.00 0.00 52.86 49.90 2aff s ASN 67 Cb 0.07 -0.44 -0.08 0.00 0.41 0.00 0.00 41.25 41.21 2aff s ASN 67 CO 0.75 -0.37 1.30 -2.65 -1.51 0.00 0.00 177.10 174.61 2aff n PRO 68 N 4.62 1.89 -2.20 -0.60 -0.02 -1.22 -4.65 135.00 132.82 2aff n PRO 68 Ca 0.03 0.68 -0.32 0.00 -2.02 0.00 0.00 63.50 61.86 2aff n PRO 68 Cb 0.39 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.41 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 -1.23 4.17 -0.04 3.45 2.01 -1.26 -4.89 115.64 117.85 2aff s THR 69 Ca 0.64 1.02 0.04 0.00 0.31 0.00 0.00 61.69 63.70 2aff s THR 69 Cb -0.47 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 2aff s THR 69 CO 0.56 -0.61 -0.16 -1.10 -0.69 0.00 0.00 174.62 172.62 2aff s GLN 70 N -4.11 2.43 -0.03 4.92 -0.21 -0.90 -1.80 119.66 119.95 2aff s GLN 70 Ca 0.61 -0.74 0.04 0.00 0.02 0.00 0.00 55.36 55.28 2aff s GLN 70 Cb -0.13 -2.33 -0.00 0.00 1.00 0.00 0.00 33.01 31.55 2aff s GLN 70 CO 0.35 0.61 -0.14 0.08 -2.12 0.00 0.00 175.29 174.07 2aff s VAL 71 N -0.74 1.18 -1.17 1.09 1.01 0.52 0.19 120.40 122.48 2aff s VAL 71 Ca 0.12 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 2aff s VAL 71 Cb -0.11 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.30 2aff s VAL 71 CO 0.01 0.35 0.32 0.59 0.00 0.00 0.00 175.10 176.37 2aff n ASN 72 N 3.18 -3.77 -0.87 3.32 3.02 -0.06 0.12 115.26 120.20 2aff n ASN 72 Ca -0.18 -0.17 -0.08 0.00 -0.03 0.00 0.00 54.58 54.13 2aff n ASN 72 Cb 0.53 -3.15 -0.01 0.00 -0.61 0.00 0.00 39.78 36.54 2aff n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aff n GLY 73 N -1.05 0.19 2.96 7.41 0.00 -1.26 -5.03 105.19 108.41 2aff n GLY 73 Ca -0.06 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 2aff n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2aff s SER 74 N -2.68 -0.09 0.28 1.61 0.15 0.32 -5.09 113.70 108.19 2aff s SER 74 Ca 0.00 0.18 -0.29 0.00 0.70 0.00 0.00 55.95 56.54 2aff s SER 74 Cb 0.00 0.18 -0.10 0.00 -1.71 0.00 0.00 66.02 64.39 2aff s SER 74 CO 0.00 -0.04 1.33 -0.69 1.20 0.00 0.00 173.24 175.04 2aff s VAL 75 N 0.11 2.85 -0.91 4.45 1.01 -1.26 0.20 120.40 126.84 2aff s VAL 75 Ca -0.01 0.78 -0.03 0.00 0.00 0.00 0.00 61.98 62.72 2aff s VAL 75 Cb -0.01 -3.50 0.23 0.00 0.00 0.00 0.00 36.38 33.10 2aff s VAL 75 CO -0.00 0.16 0.81 0.27 0.00 0.00 0.00 175.10 176.34 2aff s ILE 76 N -0.59 4.63 0.41 2.22 -4.36 -0.75 -4.86 121.20 117.91 2aff s ILE 76 Ca 0.53 -3.69 0.08 0.00 -0.26 0.00 0.00 60.65 57.31 2aff s ILE 76 Cb -0.39 -3.86 0.24 0.00 1.25 0.00 0.00 42.46 39.70 2aff s ILE 76 CO 0.47 -1.09 2.03 0.44 0.24 0.00 0.00 174.94 177.03 2aff h ASP 77 N 6.24 0.41 -1.89 4.36 3.32 -1.94 -3.43 116.42 123.49 2aff h ASP 77 Ca 0.15 -0.02 -0.59 0.00 0.02 0.00 0.00 57.03 56.58 2aff h ASP 77 Cb 0.84 -0.10 -0.11 0.00 0.22 0.00 0.00 39.33 40.17 2aff h ASP 77 CO 0.87 0.34 -0.62 -1.83 -1.72 0.00 0.00 179.24 176.27 2aff s GLU 78 N -5.32 2.02 0.44 3.56 1.03 -1.26 -4.91 118.70 114.26 2aff s GLU 78 Ca -0.08 -1.82 -0.26 0.00 0.03 0.00 0.00 54.97 52.85 2aff s GLU 78 Cb 0.17 -1.87 -0.09 0.00 -0.80 0.00 0.00 34.13 31.55 2aff s GLU 78 CO 0.73 0.11 1.43 -2.30 -1.33 0.00 0.00 175.26 173.90 2aff n PRO 79 N -0.93 2.28 -4.17 -4.83 -0.02 -1.26 -4.81 135.00 121.26 2aff n PRO 79 Ca -0.04 0.81 -0.17 0.00 -2.02 0.00 0.00 63.50 62.08 2aff n PRO 79 Cb 0.63 -2.62 -0.15 0.00 -0.02 0.00 0.00 33.50 31.35 2aff n PRO 79 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2aff s VAL 80 N -1.18 0.44 0.11 -1.45 -7.23 -0.73 -5.00 120.40 105.36 2aff s VAL 80 Ca 0.60 -0.21 -0.31 0.00 -1.81 0.00 0.00 61.98 60.26 2aff s VAL 80 Cb -0.46 -0.40 -0.07 0.00 0.56 0.00 0.00 36.38 36.02 2aff s VAL 80 CO 0.58 0.14 1.25 -0.13 -0.31 0.00 0.00 175.10 176.63 2aff s ARG 81 N 0.06 4.41 0.16 4.82 0.52 -1.26 -1.13 118.95 126.53 2aff s ARG 81 Ca -0.00 1.88 -0.30 0.00 -0.52 0.00 0.00 55.73 56.79 2aff s ARG 81 Cb -0.04 -3.29 -0.07 0.00 0.52 0.00 0.00 34.95 32.06 2aff s ARG 81 CO -0.00 -0.27 0.95 -0.51 0.02 0.00 0.00 175.30 175.49 2aff s LEU 82 N 0.77 4.55 0.06 2.53 1.43 0.36 -4.91 118.68 123.48 2aff s LEU 82 Ca 0.59 1.85 0.07 0.00 -1.03 0.00 0.00 54.13 55.61 2aff s LEU 82 Cb -0.32 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 2aff s LEU 82 CO 0.31 0.02 -0.19 -0.75 0.23 0.00 0.00 176.35 175.97 2aff s LYS 83 N -0.44 1.17 -0.06 1.70 2.20 -1.26 -4.41 119.74 118.64 2aff s LYS 83 Ca 0.45 -0.96 -0.35 0.00 -0.36 0.00 0.00 55.97 54.75 2aff s LYS 83 Cb -0.24 -1.30 -0.12 0.00 -1.51 0.00 0.00 37.83 34.65 2aff s LYS 83 CO 0.31 0.32 1.81 1.58 -0.36 0.00 0.00 175.35 179.01 2aff n HIS 84 N 1.62 2.28 0.00 4.03 -0.00 -1.26 -0.63 115.22 121.26 2aff n HIS 84 Ca -0.18 0.09 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 2aff n HIS 84 Cb 0.54 -2.62 0.00 0.00 -0.00 0.00 0.00 29.99 27.90 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 4.19 0.78 3.75 1.57 0.00 -0.87 -4.98 105.19 109.64 2aff n GLY 85 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2aff n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aff s ASP 86 N -1.95 7.06 -0.11 1.61 1.01 0.20 -4.81 116.67 119.67 2aff s ASP 86 Ca 0.00 2.33 0.01 0.00 0.71 0.00 0.00 52.55 55.59 2aff s ASP 86 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 2aff s ASP 86 CO 0.00 -0.36 -0.13 0.54 0.21 0.00 0.00 175.17 175.42 2aff s VAL 87 N -0.42 3.05 -0.17 -1.27 0.11 -1.26 -1.26 120.40 119.18 2aff s VAL 87 Ca 0.51 -0.68 -0.08 0.00 -2.93 0.00 0.00 61.98 58.80 2aff s VAL 87 Cb -0.34 -2.26 -0.04 0.00 -1.53 0.00 0.00 36.38 32.21 2aff s VAL 87 CO 0.40 0.54 0.10 -0.63 -3.33 0.00 0.00 175.10 172.18 2aff s ILE 88 N 0.11 5.16 -0.12 7.04 1.01 -0.57 -0.88 121.20 132.95 2aff s ILE 88 Ca -0.06 0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.71 2aff s ILE 88 Cb -0.15 -3.31 -0.00 0.00 0.01 0.00 0.00 42.46 39.01 2aff s ILE 88 CO 0.05 0.50 -0.21 -0.89 0.00 0.00 0.00 174.94 174.38 2aff s THR 89 N -0.03 2.28 -0.10 2.92 2.01 0.50 -0.01 115.64 123.21 2aff s THR 89 Ca 0.08 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.19 2aff s THR 89 Cb -0.12 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 2aff s THR 89 CO 0.00 0.55 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.63 2aff s ILE 90 N 0.47 2.26 -0.22 1.82 1.01 0.88 -2.11 121.20 125.30 2aff s ILE 90 Ca -0.14 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.49 2aff s ILE 90 Cb -0.17 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 2aff s ILE 90 CO 0.06 0.56 0.58 -0.38 0.00 0.00 0.00 174.94 175.75 2aff n ILE 91 N 3.38 0.00 0.00 2.92 5.41 -1.26 0.39 119.36 130.20 2aff n ILE 91 Ca -0.18 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2aff n ILE 91 Cb 0.53 -0.09 0.00 0.00 -0.71 0.00 0.00 39.64 39.37 2aff n ILE 91 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2aff n ASP 92 N 2.14 0.00 -4.05 4.38 8.00 -1.26 -5.01 116.55 120.74 2aff n ASP 92 Ca 0.15 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.46 2aff n ASP 92 Cb 0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.97 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2aff s ARG 93 N -0.45 0.78 0.04 -1.24 0.52 1.26 -4.47 118.95 115.39 2aff s ARG 93 Ca 0.00 -0.45 0.02 0.00 -0.52 0.00 0.00 55.73 54.78 2aff s ARG 93 Cb 0.00 -0.74 -0.02 0.00 0.52 0.00 0.00 34.95 34.70 2aff s ARG 93 CO 0.00 0.20 -0.08 0.45 0.02 0.00 0.00 175.30 175.89 2aff s SER 94 N -0.50 0.86 -0.11 0.23 0.15 -1.26 0.30 113.70 113.36 2aff s SER 94 Ca 0.02 -0.55 0.01 0.00 0.70 0.00 0.00 55.95 56.13 2aff s SER 94 Cb -0.05 0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.31 2aff s SER 94 CO 0.00 -0.20 -0.13 -0.36 1.20 0.00 0.00 173.24 173.75 2aff s PHE 95 N -1.38 1.83 -0.06 3.44 0.40 0.98 -2.38 117.98 120.81 2aff s PHE 95 Ca -0.10 -0.89 -0.26 0.00 -0.60 0.00 0.00 56.93 55.08 2aff s PHE 95 Cb -0.10 -1.37 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 2aff s PHE 95 CO 0.00 -0.50 0.80 0.50 0.70 0.00 0.00 175.22 176.72 2aff s ARG 96 N 1.22 4.45 -0.19 0.44 3.52 -0.84 -1.52 118.95 126.03 2aff s ARG 96 Ca -0.03 1.05 -0.18 0.00 -0.13 0.00 0.00 55.73 56.44 2aff s ARG 96 Cb -0.14 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 2aff s ARG 96 CO -0.04 -0.02 0.51 -0.47 -0.81 0.00 0.00 175.30 174.46 2aff s TYR 97 N 1.05 3.38 -0.07 5.12 5.04 -0.39 -2.14 117.35 129.35 2aff s TYR 97 Ca 0.42 0.78 0.04 0.00 -2.44 0.00 0.00 57.07 55.86 2aff s TYR 97 Cb -0.18 -2.66 0.00 0.00 0.35 0.00 0.00 41.96 39.47 2aff s TYR 97 CO 0.20 -0.08 -0.19 -1.21 -1.34 0.00 0.00 175.55 172.93 2aff s GLU 98 N 1.55 2.29 -0.25 4.97 2.02 -0.56 -2.04 118.70 126.67 2aff s GLU 98 Ca 0.24 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.52 2aff s GLU 98 Cb -0.15 -1.85 0.03 0.00 0.10 0.00 0.00 34.13 32.25 2aff s GLU 98 CO 0.10 0.20 -0.06 1.21 0.02 0.00 0.00 175.26 176.73 2aff s ASN 99 N 0.24 4.34 0.00 -0.19 3.84 -1.26 -1.61 114.94 120.31 2aff s ASN 99 Ca -0.11 -0.88 0.16 0.00 0.21 0.00 0.00 52.86 52.24 2aff s ASN 99 Cb -0.15 -1.67 0.96 0.00 -0.55 0.00 0.00 41.25 39.84 2aff s ASN 99 CO 0.05 -0.13 1.37 1.21 -2.79 0.00 0.00 177.10 176.80