#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aff h THR 4 N 0.00 1.31 -3.58 0.52 1.35 -1.97 -3.41 112.91 107.13 2aff h THR 4 Ca 0.00 -1.66 -0.64 0.00 -0.55 0.00 0.00 66.41 63.56 2aff h THR 4 Cb 0.00 1.65 -0.14 0.00 -1.73 0.00 0.00 68.15 67.92 2aff h THR 4 CO 0.00 0.52 0.09 -0.13 -0.25 0.00 0.00 175.52 175.74 2aff s ARG 5 N -4.14 3.55 -0.05 4.72 0.52 -1.26 -1.85 118.95 120.43 2aff s ARG 5 Ca -0.07 -0.13 0.04 0.00 -0.52 0.00 0.00 55.73 55.05 2aff s ARG 5 Cb 0.12 -3.85 0.00 0.00 0.52 0.00 0.00 34.95 31.74 2aff s ARG 5 CO 0.83 -0.79 -0.16 1.03 0.02 0.00 0.00 175.30 176.22 2aff s ARG 6 N 2.65 1.84 -0.10 3.54 0.52 -0.55 -2.15 118.95 124.71 2aff s ARG 6 Ca 0.22 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 54.87 2aff s ARG 6 Cb -0.15 -1.56 -0.02 0.00 0.52 0.00 0.00 34.95 33.75 2aff s ARG 6 CO 0.16 0.19 -0.13 -1.17 0.02 0.00 0.00 175.30 174.37 2aff s LEU 7 N 0.20 2.78 -0.16 2.53 2.96 -0.81 -1.37 118.68 124.82 2aff s LEU 7 Ca -0.07 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 2aff s LEU 7 Cb -0.13 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 2aff s LEU 7 CO 0.03 0.24 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.55 2aff s VAL 8 N -0.07 3.70 0.12 1.68 1.01 -0.64 0.13 120.40 126.33 2aff s VAL 8 Ca -0.02 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 2aff s VAL 8 Cb -0.14 -2.61 -0.07 0.00 0.00 0.00 0.00 36.38 33.56 2aff s VAL 8 CO 0.04 0.49 0.81 -0.89 0.00 0.00 0.00 175.10 175.55 2aff s THR 9 N 0.44 4.48 -0.13 3.92 2.01 -0.88 -1.63 115.64 123.85 2aff s THR 9 Ca -0.05 1.76 -0.05 0.00 0.31 0.00 0.00 61.69 63.66 2aff s THR 9 Cb -0.15 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 2aff s THR 9 CO 0.03 0.44 0.05 -0.63 -0.69 0.00 0.00 174.62 173.82 2aff s ILE 10 N -0.63 4.68 0.43 1.82 1.01 -0.83 -1.98 121.20 125.70 2aff s ILE 10 Ca 0.39 -0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.90 2aff s ILE 10 Cb -0.22 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 2aff s ILE 10 CO 0.26 0.55 0.72 -0.54 0.00 0.00 0.00 174.94 175.93 2aff s LYS 11 N -0.37 3.57 0.54 2.79 1.02 0.36 -4.47 119.74 123.17 2aff s LYS 11 Ca 0.09 0.11 0.23 0.00 0.02 0.00 0.00 55.97 56.42 2aff s LYS 11 Cb -0.12 -2.46 1.40 0.00 -0.52 0.00 0.00 37.83 36.14 2aff s LYS 11 CO 0.02 -0.08 2.05 0.00 -0.92 0.00 0.00 175.35 176.42 2aff h ARG 12 N 0.58 0.00 0.00 1.68 3.08 -1.87 0.55 114.38 118.40 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 0.62 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.95 2aff n SER 13 N -4.33 0.00 0.00 7.04 7.64 -1.26 -4.88 113.62 117.84 2aff n SER 13 Ca 0.05 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2aff n SER 13 Cb 0.42 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aff n GLY 14 N 1.28 0.90 3.41 0.23 0.00 0.19 -5.07 105.19 106.14 2aff n GLY 14 Ca 0.10 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 3.12 0.23 1.61 1.01 -1.24 -4.83 120.40 118.29 2aff s VAL 15 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2aff s VAL 15 Cb 0.00 -2.29 -0.09 0.00 0.00 0.00 0.00 36.38 34.00 2aff s VAL 15 CO 0.00 0.54 1.02 -1.81 0.00 0.00 0.00 175.10 174.85 2aff s ASP 16 N 0.06 7.46 0.00 3.32 1.01 -1.26 -0.49 116.67 126.77 2aff s ASP 16 Ca -0.05 2.05 0.00 0.00 0.71 0.00 0.00 52.55 55.26 2aff s ASP 16 Cb -0.14 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.17 2aff s ASP 16 CO 0.04 -0.02 0.00 0.61 0.21 0.00 0.00 175.17 176.02 2aff n GLY 17 N 1.58 3.53 3.77 0.21 0.00 -0.84 -4.95 105.19 108.49 2aff n GLY 17 Ca -0.00 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 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 2.97 3.94 -0.16 1.61 0.04 -1.26 -4.69 135.00 137.46 2aff s PRO 18 Ca 0.00 2.10 -0.04 0.00 0.04 0.00 0.00 61.00 63.09 2aff s PRO 18 Cb 0.00 -2.72 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 2aff s PRO 18 CO 0.00 -0.49 -0.02 -3.38 0.04 0.00 0.00 177.00 173.15 2aff s HIS 19 N -1.29 3.07 -0.43 0.56 -3.43 -1.26 -2.08 115.29 110.42 2aff s HIS 19 Ca 0.58 -0.20 -0.14 0.00 -0.80 0.00 0.00 55.06 54.49 2aff s HIS 19 Cb -0.37 -1.97 0.05 0.00 -1.43 0.00 0.00 32.58 28.86 2aff s HIS 19 CO 0.47 0.03 0.32 0.12 -2.00 0.00 0.00 174.74 173.68 2aff s PHE 20 N 0.28 3.25 0.03 0.38 5.36 0.12 -4.90 117.98 122.51 2aff s PHE 20 Ca -0.02 -0.86 -0.30 0.00 -0.96 0.00 0.00 56.93 54.78 2aff s PHE 20 Cb -0.14 -2.83 -0.05 0.00 -0.34 0.00 0.00 43.02 39.66 2aff s PHE 20 CO 0.02 -0.70 1.19 -1.25 -1.46 0.00 0.00 175.22 173.02 2aff s PRO 21 N 1.62 4.42 -0.42 10.12 0.04 -1.26 -1.92 135.00 147.60 2aff s PRO 21 Ca 0.04 1.74 -0.05 0.00 0.04 0.00 0.00 61.00 62.77 2aff s PRO 21 Cb -0.21 -3.40 -0.06 0.00 0.04 0.00 0.00 34.50 30.87 2aff s PRO 21 CO 0.07 -0.29 3.05 1.28 0.04 0.00 0.00 177.00 181.15 2aff n LEU 22 N 4.22 6.27 0.30 -3.56 4.77 -0.91 -4.50 117.00 123.60 2aff n LEU 22 Ca 0.09 -3.84 0.18 0.00 -0.03 0.00 0.00 56.01 52.42 2aff n LEU 22 Cb 0.46 -1.32 0.97 0.00 -2.33 0.00 0.00 43.42 41.20 2aff n LEU 22 CO 0.55 1.76 1.10 0.77 -1.33 0.00 0.00 177.39 180.25 2aff h SER 23 N 3.22 0.00 -3.68 -1.43 4.64 -1.92 -3.41 113.55 110.97 2aff h SER 23 Ca 0.37 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.19 2aff h SER 23 Cb 0.94 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 2aff h SER 23 CO 0.74 0.03 0.37 -0.76 -0.87 0.00 0.00 176.83 176.34 2aff s LEU 24 N -6.78 4.58 0.44 5.97 1.43 -1.26 -4.92 118.68 118.14 2aff s LEU 24 Ca -0.04 1.94 0.31 0.00 -1.03 0.00 0.00 54.13 55.31 2aff s LEU 24 Cb 0.13 -3.60 1.41 0.00 0.03 0.00 0.00 46.19 44.16 2aff s LEU 24 CO 0.50 0.03 1.92 0.77 0.23 0.00 0.00 176.35 179.80 2aff h SER 25 N 4.65 0.00 -3.51 2.29 4.64 -1.92 -3.41 113.55 116.30 2aff h SER 25 Ca -0.44 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.39 2aff h SER 25 Cb 1.21 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.96 2aff h SER 25 CO 0.69 0.00 -0.81 -0.89 -0.87 0.00 0.00 176.83 174.96 2aff s THR 26 N -3.63 1.01 -0.20 2.95 2.01 -1.26 -0.63 115.64 115.89 2aff s THR 26 Ca 0.00 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.60 2aff s THR 26 Cb 0.09 -0.92 0.04 0.00 0.01 0.00 0.00 72.50 71.72 2aff s THR 26 CO 0.41 0.32 -0.12 0.00 -0.69 0.00 0.00 174.62 174.55 2aff s LEU 28 N 1.37 2.91 -0.03 0.00 2.96 -1.26 -0.46 118.68 124.16 2aff s LEU 28 Ca -0.01 -0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 53.57 2aff s LEU 28 Cb -0.16 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2aff s LEU 28 CO -0.09 0.07 0.03 -0.36 -1.32 0.00 0.00 176.35 174.68 2aff s PHE 29 N 0.96 3.17 -5.00 5.38 0.40 0.19 0.11 117.98 123.20 2aff s PHE 29 Ca -0.01 0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.48 2aff s PHE 29 Cb -0.15 -1.73 0.00 0.00 0.51 0.00 0.00 43.02 41.66 2aff s PHE 29 CO 0.00 0.50 0.00 0.41 0.70 0.00 0.00 175.22 176.83 2aff n GLY 30 N 1.55 -1.17 0.09 4.36 0.00 -0.92 -2.11 105.19 106.99 2aff n GLY 30 Ca -0.15 -1.32 -0.03 0.00 0.00 0.00 0.00 46.02 44.52 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 0.99 0.00 -7.08 1.61 2.43 -1.24 -2.54 114.38 108.55 2aff h ARG 31 Ca 0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.61 2aff h ARG 31 Cb 0.00 0.00 0.17 0.00 -0.42 0.00 0.00 29.97 29.72 2aff h ARG 31 CO 0.00 0.46 0.42 0.41 -1.51 0.00 0.00 179.97 179.75 2aff n GLY 32 N 1.41 0.31 0.30 2.80 0.00 -1.05 -4.77 105.19 104.19 2aff n GLY 32 Ca -0.09 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 2aff n GLY 32 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2aff h ILE 33 N 0.24 1.27 0.00 -0.61 6.09 -1.91 -2.00 117.51 120.59 2aff h ILE 33 Ca -0.50 -1.15 0.00 0.00 -1.37 0.00 0.00 64.86 61.84 2aff h ILE 33 Cb 1.34 0.83 0.00 0.00 0.47 0.00 0.00 36.82 39.46 2aff h ILE 33 CO 0.51 0.42 0.24 -0.33 -3.07 0.00 0.00 178.15 175.91 2aff h GLU 34 N 0.94 0.00 -6.41 2.19 4.39 -1.95 -3.41 114.58 110.33 2aff h GLU 34 Ca 0.17 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.33 2aff h GLU 34 Cb 0.56 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.23 2aff h GLU 34 CO 0.03 0.00 1.04 0.00 -1.16 0.00 0.00 179.01 178.93 2aff h ASP 36 N 8.79 0.00 -3.20 0.00 3.32 0.57 -3.34 116.42 122.56 2aff h ASP 36 Ca -0.43 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.10 2aff h ASP 36 Cb 1.20 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.38 2aff h ASP 36 CO 0.94 0.00 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.02 2aff s ILE 37 N -4.58 1.00 -0.13 0.35 1.01 -0.41 -4.95 121.20 113.49 2aff s ILE 37 Ca -0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 2aff s ILE 37 Cb 0.15 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 2aff s ILE 37 CO 0.53 0.36 -0.02 -0.60 0.00 0.00 0.00 174.94 175.20 2aff s ARG 38 N 1.64 3.39 -0.12 2.79 3.52 -1.26 -2.17 118.95 126.75 2aff s ARG 38 Ca 0.03 -0.48 0.01 0.00 -0.13 0.00 0.00 55.73 55.17 2aff s ARG 38 Cb -0.13 -2.86 -0.01 0.00 -1.56 0.00 0.00 34.95 30.39 2aff s ARG 38 CO -0.07 0.42 -0.17 0.42 -0.81 0.00 0.00 175.30 175.09 2aff s ILE 39 N -0.12 2.68 0.00 4.11 1.01 -0.95 -4.99 121.20 122.93 2aff s ILE 39 Ca 0.03 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2aff s ILE 39 Cb -0.13 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.25 2aff s ILE 39 CO 0.02 0.54 1.11 0.00 0.00 0.00 0.00 174.94 176.61 2aff n GLN 40 N 3.51 0.76 -4.38 2.79 6.02 -1.26 -4.55 117.38 120.27 2aff n GLN 40 Ca -0.18 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.47 2aff n GLN 40 Cb 0.53 -1.12 -0.13 0.00 1.02 0.00 0.00 30.24 30.54 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 3.04 0.00 1.08 1.43 -1.26 -5.00 118.68 117.98 2aff s LEU 41 Ca 0.00 -0.24 0.19 0.00 -1.03 0.00 0.00 54.13 53.05 2aff s LEU 41 Cb 0.00 -1.73 0.86 0.00 0.03 0.00 0.00 46.19 45.35 2aff s LEU 41 CO 0.00 0.12 1.60 -0.81 0.23 0.00 0.00 176.35 177.49 2aff n PRO 42 N 3.84 0.10 -0.07 1.29 -0.04 -1.26 -2.43 135.00 136.43 2aff n PRO 42 Ca -0.18 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.55 2aff n PRO 42 Cb 0.52 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.42 0.18 -3.25 0.52 0.24 -1.26 -4.80 118.33 108.53 2aff n VAL 43 Ca 0.06 -0.59 -0.45 0.00 -2.04 0.00 0.00 64.34 61.33 2aff n VAL 43 Cb 0.19 1.31 -0.06 0.00 -1.47 0.00 0.00 33.84 33.81 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 -1.77 5.04 0.56 3.34 1.01 -1.02 -4.83 120.40 122.72 2aff s VAL 44 Ca 0.31 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 2aff s VAL 44 Cb 0.20 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 32.20 2aff s VAL 44 CO 0.30 -0.81 -0.41 -0.24 0.00 0.00 0.00 175.10 173.95 2aff n SER 45 N 5.72 -3.47 -0.19 3.32 2.88 -1.26 -3.60 113.62 117.02 2aff n SER 45 Ca -0.10 0.19 -0.05 0.00 -1.33 0.00 0.00 58.87 57.58 2aff n SER 45 Cb 0.43 -0.50 0.12 0.00 -0.75 0.00 0.00 64.21 63.52 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 -0.48 0.98 -0.00 -1.46 1.57 -1.93 -2.10 116.57 113.14 2aff h LYS 46 Ca -0.27 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2aff h LYS 46 Cb 0.85 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2aff h LYS 46 CO 0.18 0.87 -0.23 1.04 -0.57 0.00 0.00 179.45 180.74 2aff n GLN 47 N -4.25 3.13 0.00 3.15 1.13 -1.26 -2.53 117.38 116.76 2aff n GLN 47 Ca 0.05 -0.33 0.00 0.00 -1.94 0.00 0.00 57.00 54.78 2aff n GLN 47 Cb 0.25 -0.94 0.00 0.00 0.11 0.00 0.00 30.24 29.65 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 -0.63 0.00 -4.31 1.08 -0.00 -1.16 -4.06 115.22 106.14 2aff n HIS 48 Ca 0.02 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 58.01 2aff n HIS 48 Cb 0.14 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.86 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 0.20 2.10 -0.12 0.00 2.20 -0.29 0.56 119.74 124.39 2aff s LYS 50 Ca -0.03 -0.52 -0.02 0.00 -0.36 0.00 0.00 55.97 55.05 2aff s LYS 50 Cb -0.08 -1.80 -0.02 0.00 -1.51 0.00 0.00 37.83 34.41 2aff s LYS 50 CO 0.00 -0.07 -0.07 0.42 -0.36 0.00 0.00 175.35 175.27 2aff s ILE 51 N 1.00 3.63 -0.16 5.43 1.01 0.39 0.34 121.20 132.83 2aff s ILE 51 Ca -0.07 -0.47 -0.00 0.00 0.00 0.00 0.00 60.65 60.11 2aff s ILE 51 Cb -0.15 -2.54 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 2aff s ILE 51 CO -0.01 0.53 -0.14 -0.70 0.00 0.00 0.00 174.94 174.62 2aff s GLU 52 N 0.03 3.25 -0.26 2.79 2.12 0.39 -1.86 118.70 125.15 2aff s GLU 52 Ca -0.01 -0.73 -0.09 0.00 0.36 0.00 0.00 54.97 54.50 2aff s GLU 52 Cb -0.14 -2.68 -0.04 0.00 0.26 0.00 0.00 34.13 31.53 2aff s GLU 52 CO 0.03 -0.01 0.12 0.42 -0.54 0.00 0.00 175.26 175.29 2aff s ILE 53 N 0.89 4.80 -0.06 -3.70 1.01 0.19 -0.34 121.20 124.00 2aff s ILE 53 Ca -0.03 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.65 2aff s ILE 53 Cb -0.15 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 2aff s ILE 53 CO -0.01 0.31 -0.16 -1.00 0.00 0.00 0.00 174.94 174.08 2aff s HIS 54 N 1.60 2.67 0.62 3.97 3.76 0.65 -4.92 115.29 123.63 2aff s HIS 54 Ca 0.06 -0.27 0.20 0.00 -0.15 0.00 0.00 55.06 54.90 2aff s HIS 54 Cb -0.15 -1.65 0.67 0.00 1.11 0.00 0.00 32.58 32.57 2aff s HIS 54 CO 0.07 0.09 1.21 0.39 -0.85 0.00 0.00 174.74 175.65 2aff n GLU 55 N 2.52 0.02 0.06 1.40 1.02 -1.26 0.83 120.64 125.23 2aff n GLU 55 Ca -0.17 1.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.94 2aff n GLU 55 Cb 0.52 -2.53 -0.01 0.00 -0.02 0.00 0.00 31.44 29.40 2aff n GLU 55 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2aff h GLN 56 N 0.00 -0.16 0.00 3.49 5.75 -2.01 -3.49 115.11 118.69 2aff h GLN 56 Ca 0.37 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.88 2aff h GLN 56 Cb 2.69 0.04 0.00 0.00 1.07 0.00 0.00 27.48 31.27 2aff h GLN 56 CO -0.00 -0.10 0.00 -0.85 -2.65 0.00 0.00 178.83 175.22 2aff n GLU 57 N -2.68 0.00 -4.45 1.69 0.28 0.25 -5.16 120.64 110.56 2aff n GLU 57 Ca -0.02 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.64 2aff n GLU 57 Cb 0.06 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.81 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 -1.04 2.99 -0.18 -1.84 0.00 -1.26 -0.25 121.76 120.18 2aff s ALA 58 Ca 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.11 2aff s ALA 58 Cb 0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 2aff s ALA 58 CO 0.00 0.28 -0.07 0.42 0.00 0.00 0.00 175.76 176.39 2aff s ILE 59 N 0.15 3.34 -0.23 0.00 -1.09 0.54 0.10 121.20 124.01 2aff s ILE 59 Ca -0.02 -0.53 -0.10 0.00 -2.23 0.00 0.00 60.65 57.77 2aff s ILE 59 Cb -0.14 -2.47 -0.05 0.00 -1.58 0.00 0.00 42.46 38.22 2aff s ILE 59 CO 0.03 0.47 0.15 -0.22 -1.23 0.00 0.00 174.94 174.14 2aff s LEU 60 N 0.90 4.08 -0.07 2.97 2.96 0.81 -0.46 118.68 129.88 2aff s LEU 60 Ca -0.01 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 2aff s LEU 60 Cb -0.15 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 2aff s LEU 60 CO 0.01 0.08 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.95 2aff s HIS 61 N 0.97 2.65 -0.45 5.38 3.76 0.15 -1.34 115.29 126.41 2aff s HIS 61 Ca 0.07 -0.39 -0.15 0.00 -0.15 0.00 0.00 55.06 54.44 2aff s HIS 61 Cb -0.13 -1.66 0.06 0.00 1.11 0.00 0.00 32.58 31.95 2aff s HIS 61 CO 0.04 0.01 0.35 1.21 -0.85 0.00 0.00 174.74 175.50 2aff s ASN 62 N -0.38 6.09 0.00 1.40 3.04 -1.26 -1.14 114.94 122.69 2aff s ASN 62 Ca 0.04 -1.20 0.23 0.00 0.04 0.00 0.00 52.86 51.96 2aff s ASN 62 Cb -0.12 -2.16 0.09 0.00 -1.54 0.00 0.00 41.25 37.51 2aff s ASN 62 CO 0.02 -0.58 1.13 0.49 -3.04 0.00 0.00 177.10 175.13 2aff n PHE 63 N 5.17 0.00 -1.93 0.43 3.01 -0.47 -4.85 117.46 118.82 2aff n PHE 63 Ca -0.12 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 57.96 2aff n PHE 63 Cb 0.45 -0.04 -0.03 0.00 -0.01 0.00 0.00 39.48 39.84 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 -2.69 5.11 0.18 4.37 0.15 -0.60 -4.60 113.70 115.62 2aff s SER 64 Ca 0.15 0.56 0.25 0.00 0.70 0.00 0.00 55.95 57.62 2aff s SER 64 Cb 0.18 -2.52 0.62 0.00 -1.71 0.00 0.00 66.02 62.58 2aff s SER 64 CO 0.67 -2.46 1.60 -1.20 1.20 0.00 0.00 173.24 173.05 2aff n SER 65 N 13.34 0.79 -0.05 5.45 7.64 -1.26 -3.53 113.62 136.00 2aff n SER 65 Ca 0.24 0.40 -0.22 0.00 1.01 0.00 0.00 58.87 60.31 2aff n SER 65 Cb 0.52 -0.43 -0.13 0.00 -1.01 0.00 0.00 64.21 63.16 2aff n SER 65 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2aff n THR 66 N -2.22 1.67 -3.41 0.44 -1.04 -1.26 -4.87 114.28 103.58 2aff n THR 66 Ca 0.05 -0.45 -0.17 0.00 -2.04 0.00 0.00 64.05 61.43 2aff n THR 66 Cb 0.44 -1.81 -0.10 0.00 -1.82 0.00 0.00 70.33 67.04 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 -6.97 1.62 0.64 8.00 0.01 -1.25 -5.11 114.94 111.87 2aff s ASN 67 Ca -0.26 -0.66 -0.18 0.00 -0.71 0.00 0.00 52.86 51.05 2aff s ASN 67 Cb 0.07 0.50 -0.03 0.00 0.41 0.00 0.00 41.25 42.20 2aff s ASN 67 CO 0.69 -0.38 1.01 -2.65 -1.51 0.00 0.00 177.10 174.25 2aff n PRO 68 N 5.31 0.83 -2.33 -0.60 -0.02 -1.23 -4.68 135.00 132.29 2aff n PRO 68 Ca -0.03 0.33 -0.41 0.00 -2.02 0.00 0.00 63.50 61.38 2aff n PRO 68 Cb 0.47 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 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 -1.56 3.34 -0.00 3.45 2.01 -1.26 -4.77 115.64 116.85 2aff s THR 69 Ca 0.77 1.20 -0.03 0.00 0.31 0.00 0.00 61.69 63.94 2aff s THR 69 Cb -0.39 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2aff s THR 69 CO 0.46 0.23 0.20 -1.10 -0.69 0.00 0.00 174.62 173.72 2aff s GLN 70 N -0.78 3.46 -0.01 4.92 -0.21 0.17 -1.33 119.66 125.89 2aff s GLN 70 Ca 0.51 -0.29 0.02 0.00 0.02 0.00 0.00 55.36 55.62 2aff s GLN 70 Cb -0.34 -3.09 -0.01 0.00 1.00 0.00 0.00 33.01 30.57 2aff s GLN 70 CO 0.41 0.67 -0.08 0.54 -2.12 0.00 0.00 175.29 174.71 2aff s VAL 71 N -1.33 0.64 -1.03 1.09 0.11 0.57 0.31 120.40 120.76 2aff s VAL 71 Ca 0.28 -0.34 -0.06 0.00 -2.93 0.00 0.00 61.98 58.93 2aff s VAL 71 Cb -0.13 -0.54 0.05 0.00 -1.53 0.00 0.00 36.38 34.23 2aff s VAL 71 CO 0.19 0.18 0.26 0.59 -3.33 0.00 0.00 175.10 172.99 2aff n ASN 72 N 2.91 -3.26 -0.93 3.54 3.02 -0.90 0.19 115.26 119.84 2aff n ASN 72 Ca -0.14 -0.10 -0.08 0.00 -0.03 0.00 0.00 54.58 54.23 2aff n ASN 72 Cb 0.57 -2.75 -0.00 0.00 -0.61 0.00 0.00 39.78 36.98 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 -0.95 0.05 2.87 7.41 0.00 -1.26 -5.03 105.19 108.28 2aff n GLY 73 Ca -0.05 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.64 -0.01 0.32 1.61 0.15 0.51 -5.11 113.70 108.53 2aff s SER 74 Ca 0.00 0.06 -0.29 0.00 0.70 0.00 0.00 55.95 56.42 2aff s SER 74 Cb 0.00 0.03 -0.10 0.00 -1.71 0.00 0.00 66.02 64.24 2aff s SER 74 CO 0.00 -0.04 1.33 -0.69 1.20 0.00 0.00 173.24 175.03 2aff s VAL 75 N 0.30 2.72 -0.28 4.45 1.01 -1.26 0.21 120.40 127.56 2aff s VAL 75 Ca -0.02 0.71 -0.07 0.00 0.00 0.00 0.00 61.98 62.59 2aff s VAL 75 Cb -0.04 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 2aff s VAL 75 CO -0.01 0.16 0.08 -0.63 0.00 0.00 0.00 175.10 174.70 2aff s ILE 76 N -0.94 4.07 -0.03 2.22 1.01 -0.44 -4.85 121.20 122.24 2aff s ILE 76 Ca 0.51 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.65 2aff s ILE 76 Cb -0.40 -3.05 -0.25 0.00 0.01 0.00 0.00 42.46 38.78 2aff s ILE 76 CO 0.51 0.15 0.71 -2.24 0.00 0.00 0.00 174.94 174.07 2aff h ASP 77 N 8.24 0.19 -3.12 3.58 2.03 -1.95 -3.40 116.42 121.99 2aff h ASP 77 Ca -0.33 -0.34 -0.52 0.00 -0.73 0.00 0.00 57.03 55.11 2aff h ASP 77 Cb 1.14 -0.06 -0.14 0.00 -0.83 0.00 0.00 39.33 39.44 2aff h ASP 77 CO 0.60 1.29 -0.56 -1.83 -1.03 0.00 0.00 179.24 177.71 2aff s GLU 78 N -2.61 1.79 0.49 4.15 -1.05 -1.26 -4.94 118.70 115.28 2aff s GLU 78 Ca -0.09 -2.05 -0.24 0.00 -0.15 0.00 0.00 54.97 52.45 2aff s GLU 78 Cb 0.08 -0.75 -0.07 0.00 -0.44 0.00 0.00 34.13 32.94 2aff s GLU 78 CO 0.82 -0.33 1.34 -2.30 0.95 0.00 0.00 175.26 175.74 2aff n PRO 79 N -0.81 1.88 -3.89 -4.83 -0.02 -1.26 -4.77 135.00 121.30 2aff n PRO 79 Ca -0.05 0.68 -0.11 0.00 -2.02 0.00 0.00 63.50 62.00 2aff n PRO 79 Cb 0.66 -2.53 -0.12 0.00 -0.02 0.00 0.00 33.50 31.49 2aff n PRO 79 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2aff s VAL 80 N -1.25 0.04 0.09 -1.45 0.11 -0.45 -4.97 120.40 112.52 2aff s VAL 80 Ca 0.66 -0.36 -0.30 0.00 -2.93 0.00 0.00 61.98 59.05 2aff s VAL 80 Cb -0.45 -0.19 -0.06 0.00 -1.53 0.00 0.00 36.38 34.16 2aff s VAL 80 CO 0.54 -0.20 1.05 -0.13 -3.33 0.00 0.00 175.10 173.03 2aff s ARG 81 N -0.60 4.58 0.10 1.54 0.52 -1.26 -0.13 118.95 123.70 2aff s ARG 81 Ca -0.07 1.58 -0.21 0.00 -0.52 0.00 0.00 55.73 56.52 2aff s ARG 81 Cb -0.04 -3.36 -0.07 0.00 0.52 0.00 0.00 34.95 32.00 2aff s ARG 81 CO -0.00 0.02 0.62 -0.51 0.02 0.00 0.00 175.30 175.45 2aff s LEU 82 N 0.34 4.53 0.12 2.53 1.43 0.12 -4.91 118.68 122.83 2aff s LEU 82 Ca 0.51 1.35 0.06 0.00 -1.03 0.00 0.00 54.13 55.02 2aff s LEU 82 Cb -0.26 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 2aff s LEU 82 CO 0.31 0.25 -0.14 -0.54 0.23 0.00 0.00 176.35 176.46 2aff s LYS 83 N -1.17 1.00 -0.15 1.70 1.02 -1.26 -4.32 119.74 116.57 2aff s LYS 83 Ca 0.31 -1.22 -0.34 0.00 0.02 0.00 0.00 55.97 54.74 2aff s LYS 83 Cb -0.20 -0.87 -0.11 0.00 -0.52 0.00 0.00 37.83 36.12 2aff s LYS 83 CO 0.21 0.17 1.95 1.58 -0.92 0.00 0.00 175.35 178.33 2aff n HIS 84 N 0.57 2.18 0.00 3.18 -0.00 -1.26 0.07 115.22 119.97 2aff n HIS 84 Ca -0.16 0.05 0.00 0.00 -0.00 0.00 0.00 57.72 57.62 2aff n HIS 84 Cb 0.57 -2.64 0.00 0.00 -0.00 0.00 0.00 29.99 27.92 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 4.81 2.17 3.70 1.57 0.00 -0.97 -4.98 105.19 111.49 2aff n GLY 85 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.66 6.83 -0.14 1.61 -1.08 0.11 -4.80 116.67 117.54 2aff s ASP 86 Ca 0.00 2.19 -0.07 0.00 -0.52 0.00 0.00 52.55 54.16 2aff s ASP 86 Cb 0.00 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.85 2aff s ASP 86 CO 0.00 -0.71 0.09 -0.69 0.52 0.00 0.00 175.17 174.38 2aff s VAL 87 N 2.05 5.04 -0.14 1.11 1.01 -1.26 -2.08 120.40 126.13 2aff s VAL 87 Ca 0.65 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.49 2aff s VAL 87 Cb -0.33 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2aff s VAL 87 CO 0.28 0.54 0.45 -0.63 0.00 0.00 0.00 175.10 175.74 2aff s ILE 88 N -0.39 5.20 -0.13 2.22 -1.09 0.82 -2.12 121.20 125.71 2aff s ILE 88 Ca 0.10 0.88 0.02 0.00 -2.23 0.00 0.00 60.65 59.42 2aff s ILE 88 Cb -0.12 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 36.98 2aff s ILE 88 CO 0.02 0.31 -0.20 -0.89 -1.23 0.00 0.00 174.94 172.94 2aff s THR 89 N 0.77 1.93 -0.09 2.92 2.01 0.92 0.89 115.64 124.97 2aff s THR 89 Ca 0.24 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.37 2aff s THR 89 Cb -0.15 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 2aff s THR 89 CO 0.09 0.52 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.72 2aff s ILE 90 N 0.85 2.50 -0.26 1.82 1.01 0.99 0.44 121.20 128.55 2aff s ILE 90 Ca -0.07 -0.88 -0.13 0.00 0.00 0.00 0.00 60.65 59.57 2aff s ILE 90 Cb -0.15 -1.98 -0.07 0.00 0.01 0.00 0.00 42.46 40.26 2aff s ILE 90 CO -0.02 0.55 0.82 -0.38 0.00 0.00 0.00 174.94 175.92 2aff n ILE 91 N 3.24 0.00 0.00 2.92 5.41 -1.26 0.38 119.36 130.04 2aff n ILE 91 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 2aff n ILE 91 Cb 0.53 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.29 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 3.07 0.00 -4.05 4.38 8.00 -1.26 -4.97 116.55 121.72 2aff n ASP 92 Ca 0.21 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.49 2aff n ASP 92 Cb -0.00 -0.03 -0.15 0.00 -0.02 0.00 0.00 41.12 40.92 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 0.00 1.10 0.04 -1.24 0.52 1.20 -4.61 118.95 115.95 2aff s ARG 93 Ca 0.00 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 2aff s ARG 93 Cb 0.00 -1.02 -0.03 0.00 0.52 0.00 0.00 34.95 34.42 2aff s ARG 93 CO 0.00 0.19 -0.04 -1.12 0.02 0.00 0.00 175.30 174.35 2aff s SER 94 N -0.02 0.48 -0.12 0.23 0.01 -1.26 0.33 113.70 113.35 2aff s SER 94 Ca -0.00 -0.63 0.01 0.00 1.31 0.00 0.00 55.95 56.63 2aff s SER 94 Cb -0.08 0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.28 2aff s SER 94 CO 0.00 -0.34 -0.13 -0.36 0.41 0.00 0.00 173.24 172.82 2aff s PHE 95 N -2.02 1.90 0.01 2.43 0.40 0.26 -1.97 117.98 118.98 2aff s PHE 95 Ca -0.09 -0.95 -0.26 0.00 -0.60 0.00 0.00 56.93 55.03 2aff s PHE 95 Cb -0.06 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 2aff s PHE 95 CO -0.03 -0.53 0.82 1.03 0.70 0.00 0.00 175.22 177.21 2aff s ARG 96 N 1.27 4.51 -0.20 0.44 0.52 -0.65 -0.13 118.95 124.72 2aff s ARG 96 Ca -0.01 1.13 -0.13 0.00 -0.52 0.00 0.00 55.73 56.20 2aff s ARG 96 Cb -0.14 -3.41 -0.05 0.00 0.52 0.00 0.00 34.95 31.87 2aff s ARG 96 CO -0.05 0.13 0.28 -0.47 0.02 0.00 0.00 175.30 175.20 2aff s TYR 97 N 0.47 3.39 -0.14 -0.53 5.04 -0.88 -1.62 117.35 123.08 2aff s TYR 97 Ca 0.42 0.48 0.01 0.00 -2.44 0.00 0.00 57.07 55.54 2aff s TYR 97 Cb -0.20 -2.37 0.02 0.00 0.35 0.00 0.00 41.96 39.76 2aff s TYR 97 CO 0.23 0.11 -0.14 -1.21 -1.34 0.00 0.00 175.55 173.21 2aff s GLU 98 N 0.89 2.24 -0.28 4.97 2.02 -0.47 -2.29 118.70 125.78 2aff s GLU 98 Ca 0.14 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.60 2aff s GLU 98 Cb -0.13 -2.04 0.05 0.00 0.10 0.00 0.00 34.13 32.11 2aff s GLU 98 CO 0.05 -0.21 -0.05 1.21 0.02 0.00 0.00 175.26 176.28 2aff s ASN 99 N 1.41 4.70 0.00 -0.19 3.84 -1.26 -1.48 114.94 121.96 2aff s ASN 99 Ca 0.03 -1.31 0.11 0.00 0.21 0.00 0.00 52.86 51.89 2aff s ASN 99 Cb -0.13 -1.65 0.63 0.00 -0.55 0.00 0.00 41.25 39.55 2aff s ASN 99 CO -0.09 -0.23 1.07 -0.62 -2.79 0.00 0.00 177.10 174.44