#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 1.31 -3.24 0.52 -2.24 -1.26 -4.94 114.28 104.43 2aff n THR 4 Ca 0.00 -0.43 -0.39 0.00 -2.27 0.00 0.00 64.05 60.96 2aff n THR 4 Cb 0.00 -1.52 -0.06 0.00 -2.10 0.00 0.00 70.33 66.64 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 -2.45 4.24 -0.02 -0.78 0.52 -1.26 -1.96 118.95 117.24 2aff s ARG 5 Ca -0.32 0.46 0.03 0.00 -0.52 0.00 0.00 55.73 55.38 2aff s ARG 5 Cb 0.10 -3.53 -0.00 0.00 0.52 0.00 0.00 34.95 32.04 2aff s ARG 5 CO 0.48 -0.08 -0.10 1.03 0.02 0.00 0.00 175.30 176.65 2aff s ARG 6 N 1.39 1.01 -0.12 3.54 0.52 -0.19 -1.99 118.95 123.11 2aff s ARG 6 Ca 0.26 -0.36 -0.00 0.00 -0.52 0.00 0.00 55.73 55.10 2aff s ARG 6 Cb -0.15 -0.95 -0.02 0.00 0.52 0.00 0.00 34.95 34.35 2aff s ARG 6 CO 0.10 0.17 -0.12 -1.17 0.02 0.00 0.00 175.30 174.30 2aff s LEU 7 N 0.03 2.80 -0.14 2.53 2.96 -0.71 -1.50 118.68 124.65 2aff s LEU 7 Ca -0.01 -0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 2aff s LEU 7 Cb -0.07 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 2aff s LEU 7 CO 0.00 0.19 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.50 2aff s VAL 8 N 0.20 3.90 -0.39 1.68 1.01 -0.76 0.91 120.40 126.94 2aff s VAL 8 Ca -0.07 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 2aff s VAL 8 Cb -0.15 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.55 2aff s VAL 8 CO 0.05 0.51 0.66 -0.89 0.00 0.00 0.00 175.10 175.43 2aff s THR 9 N 0.15 4.83 0.33 3.92 2.01 -0.96 -1.69 115.64 124.23 2aff s THR 9 Ca -0.01 0.44 -0.26 0.00 0.31 0.00 0.00 61.69 62.16 2aff s THR 9 Cb -0.14 -4.15 -0.10 0.00 0.01 0.00 0.00 72.50 68.12 2aff s THR 9 CO 0.03 -0.46 0.95 -0.63 -0.69 0.00 0.00 174.62 173.82 2aff s ILE 10 N 2.84 4.19 0.39 1.82 1.01 -0.92 -2.32 121.20 128.20 2aff s ILE 10 Ca 0.25 1.78 -0.04 0.00 0.00 0.00 0.00 60.65 62.65 2aff s ILE 10 Cb -0.14 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 2aff s ILE 10 CO 0.17 0.12 0.66 -0.54 0.00 0.00 0.00 174.94 175.34 2aff s LYS 11 N -2.12 3.57 0.55 2.79 1.02 0.63 -4.55 119.74 121.62 2aff s LYS 11 Ca 0.51 0.01 0.22 0.00 0.02 0.00 0.00 55.97 56.73 2aff s LYS 11 Cb -0.18 -2.53 1.46 0.00 -0.52 0.00 0.00 37.83 36.06 2aff s LYS 11 CO 0.24 0.02 2.13 0.00 -0.92 0.00 0.00 175.35 176.81 2aff h ARG 12 N 0.82 0.00 0.00 1.68 3.08 -1.87 0.30 114.38 118.39 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 0.63 0.00 -0.02 -1.13 -1.07 0.00 0.00 179.97 178.38 2aff n SER 13 N -4.26 0.22 -0.01 7.04 3.41 -1.26 -4.90 113.62 113.86 2aff n SER 13 Ca 0.00 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2aff n SER 13 Cb 0.23 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 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 1.45 1.62 3.19 5.00 0.00 0.11 -5.10 105.19 111.46 2aff n GLY 14 Ca 0.07 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.02 1.78 0.25 1.61 1.01 -1.24 -4.84 120.40 116.95 2aff s VAL 15 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 2aff s VAL 15 Cb 0.00 -1.53 -0.09 0.00 0.00 0.00 0.00 36.38 34.76 2aff s VAL 15 CO 0.00 0.50 1.13 -1.81 0.00 0.00 0.00 175.10 174.92 2aff s ASP 16 N 0.10 7.20 0.00 3.32 1.01 -1.26 -0.27 116.67 126.77 2aff s ASP 16 Ca -0.09 2.27 0.00 0.00 0.71 0.00 0.00 52.55 55.45 2aff s ASP 16 Cb -0.14 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.16 2aff s ASP 16 CO 0.05 -0.22 0.00 0.61 0.21 0.00 0.00 175.17 175.82 2aff n GLY 17 N 1.44 3.26 3.77 0.21 0.00 -0.98 -4.93 105.19 107.96 2aff n GLY 17 Ca 0.00 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 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 2.83 3.83 0.24 1.61 0.04 -1.26 -4.77 135.00 137.52 2aff s PRO 18 Ca 0.00 1.75 0.08 0.00 0.04 0.00 0.00 61.00 62.87 2aff s PRO 18 Cb 0.00 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 2aff s PRO 18 CO 0.00 -0.49 0.04 -3.38 0.04 0.00 0.00 177.00 173.22 2aff s HIS 19 N -1.55 2.83 -0.31 0.56 -3.43 -1.26 -2.26 115.29 109.87 2aff s HIS 19 Ca 0.62 -0.17 0.02 0.00 -0.80 0.00 0.00 55.06 54.72 2aff s HIS 19 Cb -0.28 -1.29 0.09 0.00 -1.43 0.00 0.00 32.58 29.67 2aff s HIS 19 CO 0.34 0.57 0.05 0.12 -2.00 0.00 0.00 174.74 173.82 2aff s PHE 20 N -2.12 2.70 0.08 0.38 5.36 0.26 -4.96 117.98 119.68 2aff s PHE 20 Ca 0.31 -2.27 -0.31 0.00 -0.96 0.00 0.00 56.93 53.70 2aff s PHE 20 Cb -0.07 -2.19 -0.07 0.00 -0.34 0.00 0.00 43.02 40.34 2aff s PHE 20 CO 0.21 -0.89 1.39 -1.25 -1.46 0.00 0.00 175.22 173.21 2aff s PRO 21 N 1.28 4.32 -0.24 10.12 0.04 -1.26 -1.73 135.00 147.52 2aff s PRO 21 Ca 0.07 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.09 2aff s PRO 21 Cb -0.18 -3.35 -0.08 0.00 0.04 0.00 0.00 34.50 30.92 2aff s PRO 21 CO -0.14 -0.47 3.11 1.28 0.04 0.00 0.00 177.00 180.82 2aff n LEU 22 N 4.38 5.90 0.29 -3.56 4.77 -0.84 -4.47 117.00 123.47 2aff n LEU 22 Ca 0.12 -3.62 0.15 0.00 -0.03 0.00 0.00 56.01 52.63 2aff n LEU 22 Cb 0.43 -1.31 0.87 0.00 -2.33 0.00 0.00 43.42 41.08 2aff n LEU 22 CO 0.58 1.69 1.08 0.77 -1.33 0.00 0.00 177.39 180.18 2aff h SER 23 N 2.91 0.00 -3.80 -1.43 4.64 -1.91 -3.42 113.55 110.54 2aff h SER 23 Ca 0.29 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.12 2aff h SER 23 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2aff h SER 23 CO 0.57 0.04 0.38 -0.76 -0.87 0.00 0.00 176.83 176.18 2aff s LEU 24 N -7.50 4.54 0.61 5.97 1.43 -1.26 -4.93 118.68 117.53 2aff s LEU 24 Ca -0.04 1.99 0.39 0.00 -1.03 0.00 0.00 54.13 55.44 2aff s LEU 24 Cb 0.14 -3.73 1.89 0.00 0.03 0.00 0.00 46.19 44.52 2aff s LEU 24 CO 0.55 0.02 2.17 0.77 0.23 0.00 0.00 176.35 180.09 2aff h SER 25 N 3.78 0.00 -3.54 2.29 4.64 -1.91 -3.42 113.55 115.40 2aff h SER 25 Ca -0.46 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.38 2aff h SER 25 Cb 1.20 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.96 2aff h SER 25 CO 0.67 0.00 -0.80 -0.89 -0.87 0.00 0.00 176.83 174.94 2aff s THR 26 N -3.90 0.97 -0.21 2.95 2.01 -1.26 -0.62 115.64 115.59 2aff s THR 26 Ca -0.02 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.58 2aff s THR 26 Cb 0.11 -0.89 0.05 0.00 0.01 0.00 0.00 72.50 71.77 2aff s THR 26 CO 0.48 0.31 -0.08 0.00 -0.69 0.00 0.00 174.62 174.64 2aff s LEU 28 N 1.40 3.20 -0.01 0.00 2.96 -1.26 -0.18 118.68 124.78 2aff s LEU 28 Ca -0.03 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 2aff s LEU 28 Cb -0.17 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 2aff s LEU 28 CO -0.07 0.13 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.67 2aff s PHE 29 N 0.62 2.94 -5.00 5.38 0.40 0.20 -0.20 117.98 122.32 2aff s PHE 29 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 2aff s PHE 29 Cb -0.14 -1.65 0.00 0.00 0.51 0.00 0.00 43.02 41.74 2aff s PHE 29 CO 0.02 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.74 2aff n GLY 30 N 1.66 -0.16 0.07 4.36 0.00 -0.89 -2.39 105.19 107.86 2aff n GLY 30 Ca -0.16 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 2aff n GLY 30 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aff h ARG 31 N 2.46 0.05 -6.50 1.61 3.08 -0.80 -2.81 114.38 111.47 2aff h ARG 31 Ca 0.00 -0.08 -0.60 0.00 0.07 0.00 0.00 59.98 59.37 2aff h ARG 31 Cb 0.00 0.03 0.10 0.00 0.08 0.00 0.00 29.97 30.18 2aff h ARG 31 CO 0.00 0.92 0.22 0.41 -1.07 0.00 0.00 179.97 180.45 2aff n GLY 32 N 1.44 -0.06 0.23 0.04 0.00 -1.00 -4.82 105.19 101.02 2aff n GLY 32 Ca -0.06 0.36 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 2.19 1.22 0.00 -0.61 1.08 -1.91 -1.42 117.51 118.07 2aff h ILE 33 Ca -0.41 -0.74 0.00 0.00 -0.39 0.00 0.00 64.86 63.32 2aff h ILE 33 Cb 1.33 0.81 0.00 0.00 -3.07 0.00 0.00 36.82 35.89 2aff h ILE 33 CO 0.63 0.27 0.15 1.21 -0.69 0.00 0.00 178.15 179.72 2aff n GLU 34 N -4.53 0.10 -1.97 2.37 2.13 -1.26 -4.61 120.64 112.87 2aff n GLU 34 Ca 0.01 0.58 -0.41 0.00 0.66 0.00 0.00 57.16 58.00 2aff n GLU 34 Cb 0.18 -1.99 -0.02 0.00 0.27 0.00 0.00 31.44 29.88 2aff n GLU 34 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2aff h ASP 36 N 4.94 0.44 -3.22 0.00 3.32 -0.84 -3.39 116.42 117.68 2aff h ASP 36 Ca -0.46 -0.03 -0.56 0.00 0.02 0.00 0.00 57.03 56.00 2aff h ASP 36 Cb 1.22 -0.11 -0.36 0.00 0.22 0.00 0.00 39.33 40.30 2aff h ASP 36 CO 0.78 0.38 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.23 2aff s ILE 37 N -5.30 1.27 -0.07 0.35 1.01 -0.24 -4.96 121.20 113.26 2aff s ILE 37 Ca -0.08 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2aff s ILE 37 Cb 0.17 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 2aff s ILE 37 CO 0.74 0.40 -0.09 -0.60 0.00 0.00 0.00 174.94 175.39 2aff s ARG 38 N 1.35 2.80 -0.09 2.79 3.52 -1.26 -2.09 118.95 125.98 2aff s ARG 38 Ca -0.00 -0.59 0.04 0.00 -0.13 0.00 0.00 55.73 55.05 2aff s ARG 38 Cb -0.14 -2.57 -0.00 0.00 -1.56 0.00 0.00 34.95 30.68 2aff s ARG 38 CO -0.06 0.60 -0.24 0.42 -0.81 0.00 0.00 175.30 175.21 2aff s ILE 39 N -0.63 2.08 0.00 4.11 1.01 -1.06 -4.98 121.20 121.74 2aff s ILE 39 Ca 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.72 2aff s ILE 39 Cb -0.11 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.58 2aff s ILE 39 CO 0.02 0.56 1.25 0.00 0.00 0.00 0.00 174.94 176.77 2aff n GLN 40 N 3.36 0.90 -4.43 2.79 6.02 -1.26 -4.62 117.38 120.14 2aff n GLN 40 Ca -0.19 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.47 2aff n GLN 40 Cb 0.53 -1.05 -0.12 0.00 1.02 0.00 0.00 30.24 30.62 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 3.26 0.29 1.08 1.43 -1.26 -5.00 118.68 118.48 2aff s LEU 41 Ca 0.00 -0.10 0.25 0.00 -1.03 0.00 0.00 54.13 53.25 2aff s LEU 41 Cb 0.00 -1.77 0.99 0.00 0.03 0.00 0.00 46.19 45.44 2aff s LEU 41 CO 0.00 0.21 1.75 1.55 0.23 0.00 0.00 176.35 180.09 2aff h PRO 42 N 6.41 0.00 -0.05 1.29 0.13 -2.02 -2.53 132.00 135.23 2aff h PRO 42 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2aff h PRO 42 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2aff h PRO 42 CO 0.61 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.71 2aff n VAL 43 N -2.36 0.05 -3.43 1.56 0.24 -1.26 -4.84 118.33 108.29 2aff n VAL 43 Ca 0.03 -0.28 -0.38 0.00 -2.04 0.00 0.00 64.34 61.67 2aff n VAL 43 Cb 0.28 0.50 -0.06 0.00 -1.47 0.00 0.00 33.84 33.08 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 -1.95 5.15 0.84 3.34 1.01 -0.95 -4.91 120.40 122.93 2aff s VAL 44 Ca 0.37 0.83 -0.11 0.00 0.00 0.00 0.00 61.98 63.06 2aff s VAL 44 Cb 0.20 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.94 2aff s VAL 44 CO 0.32 0.43 1.09 -0.44 0.00 0.00 0.00 175.10 176.50 2aff s SER 45 N -0.04 3.99 0.16 3.32 0.01 -1.26 -4.49 113.70 115.39 2aff s SER 45 Ca 0.23 1.48 -0.13 0.00 1.31 0.00 0.00 55.95 58.84 2aff s SER 45 Cb -0.15 -2.19 0.04 0.00 0.21 0.00 0.00 66.02 63.93 2aff s SER 45 CO 0.10 -2.31 1.69 0.11 0.41 0.00 0.00 173.24 173.24 2aff h LYS 46 N -1.32 0.79 0.00 12.44 1.57 -1.92 0.39 116.57 128.52 2aff h LYS 46 Ca -0.48 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 2aff h LYS 46 Cb 1.27 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2aff h LYS 46 CO 0.56 0.72 -1.19 1.04 -0.57 0.00 0.00 179.45 180.01 2aff n GLN 47 N -4.50 1.09 0.00 3.15 1.13 -1.26 -2.37 117.38 114.62 2aff n GLN 47 Ca 0.02 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 2aff n GLN 47 Cb 0.18 -1.14 0.00 0.00 0.11 0.00 0.00 30.24 29.39 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 -1.68 0.00 -4.38 1.08 -0.00 -1.13 -4.04 115.22 105.08 2aff n HIS 48 Ca -0.01 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.97 2aff n HIS 48 Cb 0.21 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.93 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 0.06 1.69 -0.13 0.00 2.20 -0.64 0.62 119.74 123.54 2aff s LYS 50 Ca -0.01 -0.38 -0.03 0.00 -0.36 0.00 0.00 55.97 55.20 2aff s LYS 50 Cb -0.07 -1.50 -0.03 0.00 -1.51 0.00 0.00 37.83 34.73 2aff s LYS 50 CO 0.00 -0.07 -0.03 0.42 -0.36 0.00 0.00 175.35 175.31 2aff s ILE 51 N 1.00 3.97 -0.16 5.43 1.01 0.75 0.35 121.20 133.54 2aff s ILE 51 Ca -0.08 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.23 2aff s ILE 51 Cb -0.15 -2.71 0.01 0.00 0.01 0.00 0.00 42.46 39.62 2aff s ILE 51 CO -0.00 0.53 -0.18 -0.70 0.00 0.00 0.00 174.94 174.59 2aff s GLU 52 N -0.09 3.10 -0.25 2.79 2.12 0.14 -1.74 118.70 124.77 2aff s GLU 52 Ca 0.02 -0.80 -0.07 0.00 0.36 0.00 0.00 54.97 54.49 2aff s GLU 52 Cb -0.13 -2.56 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 2aff s GLU 52 CO 0.02 -0.05 0.05 0.42 -0.54 0.00 0.00 175.26 175.16 2aff s ILE 53 N 0.95 4.09 -0.13 -3.70 1.01 0.21 -0.97 121.20 122.67 2aff s ILE 53 Ca -0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 2aff s ILE 53 Cb -0.15 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 2aff s ILE 53 CO -0.04 0.32 -0.02 -1.00 0.00 0.00 0.00 174.94 174.20 2aff s HIS 54 N 1.57 3.08 0.49 3.97 3.76 0.24 -4.91 115.29 123.50 2aff s HIS 54 Ca 0.06 -0.07 0.38 0.00 -0.15 0.00 0.00 55.06 55.27 2aff s HIS 54 Cb -0.15 -1.89 1.54 0.00 1.11 0.00 0.00 32.58 33.19 2aff s HIS 54 CO 0.02 0.18 1.64 0.93 -0.85 0.00 0.00 174.74 176.66 2aff h GLU 55 N 6.06 0.05 0.13 1.40 5.08 -2.01 0.45 114.58 125.75 2aff h GLU 55 Ca -0.40 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 2aff h GLU 55 Cb 1.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2aff h GLU 55 CO 0.60 0.03 -0.06 1.96 -1.00 0.00 0.00 179.01 180.54 2aff h GLN 56 N 0.05 -0.17 -4.54 2.33 4.20 -2.02 -3.48 115.11 111.48 2aff h GLN 56 Ca 0.82 0.01 -0.38 0.00 0.06 0.00 0.00 58.65 59.16 2aff h GLN 56 Cb 2.91 0.04 -0.11 0.00 0.30 0.00 0.00 27.48 30.62 2aff h GLN 56 CO -0.22 -0.11 -0.35 -1.21 -0.67 0.00 0.00 178.83 176.27 2aff s GLU 57 N -2.95 1.84 -0.21 1.46 2.02 0.16 -5.15 118.70 115.87 2aff s GLU 57 Ca -0.03 -1.91 -0.03 0.00 0.02 0.00 0.00 54.97 53.03 2aff s GLU 57 Cb 0.00 0.38 -0.01 0.00 0.10 0.00 0.00 34.13 34.61 2aff s GLU 57 CO 0.08 -0.72 -0.06 0.00 0.02 0.00 0.00 175.26 174.57 2aff s ALA 58 N -3.23 2.75 -0.08 5.21 0.00 -1.26 0.79 121.76 125.94 2aff s ALA 58 Ca 0.36 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 51.20 2aff s ALA 58 Cb 0.01 -1.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.50 2aff s ALA 58 CO 0.24 -0.38 -0.21 0.42 0.00 0.00 0.00 175.76 175.83 2aff s ILE 59 N 1.39 2.34 -0.20 0.00 1.01 -0.15 -0.35 121.20 125.24 2aff s ILE 59 Ca 0.05 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 2aff s ILE 59 Cb -0.14 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 2aff s ILE 59 CO -0.04 0.56 0.16 -0.22 0.00 0.00 0.00 174.94 175.40 2aff s LEU 60 N 0.04 4.20 -0.09 2.97 2.96 0.13 -0.69 118.68 128.21 2aff s LEU 60 Ca -0.09 0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 54.09 2aff s LEU 60 Cb -0.15 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 2aff s LEU 60 CO 0.05 0.15 -0.07 -1.00 -1.32 0.00 0.00 176.35 174.16 2aff s HIS 61 N 0.46 2.93 -0.46 5.38 3.76 0.16 -0.47 115.29 127.05 2aff s HIS 61 Ca 0.09 -0.12 -0.16 0.00 -0.15 0.00 0.00 55.06 54.72 2aff s HIS 61 Cb -0.12 -1.77 0.05 0.00 1.11 0.00 0.00 32.58 31.86 2aff s HIS 61 CO -0.00 0.19 0.41 1.21 -0.85 0.00 0.00 174.74 175.69 2aff s ASN 62 N -0.45 6.15 0.00 1.40 2.47 -1.26 -1.62 114.94 121.64 2aff s ASN 62 Ca 0.06 -1.10 0.22 0.00 0.42 0.00 0.00 52.86 52.47 2aff s ASN 62 Cb -0.12 -2.20 -0.06 0.00 -1.45 0.00 0.00 41.25 37.42 2aff s ASN 62 CO 0.02 -0.62 1.03 0.49 -3.72 0.00 0.00 177.10 174.30 2aff n PHE 63 N 5.36 0.00 -2.58 0.43 3.01 -0.60 -4.84 117.46 118.24 2aff n PHE 63 Ca -0.11 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.94 2aff n PHE 63 Cb 0.45 0.00 -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 0.45 1.01 0.00 0.00 176.76 178.22 2aff s SER 64 N -2.58 6.19 0.23 4.37 0.15 0.15 -4.58 113.70 117.63 2aff s SER 64 Ca 0.16 -0.58 0.22 0.00 0.70 0.00 0.00 55.95 56.45 2aff s SER 64 Cb 0.17 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 61.97 2aff s SER 64 CO 0.64 -1.78 1.11 0.77 1.20 0.00 0.00 173.24 175.18 2aff h SER 65 N 9.97 0.00 0.03 5.45 4.64 -1.90 -3.15 113.55 128.59 2aff h SER 65 Ca -0.24 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2aff h SER 65 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2aff h SER 65 CO 1.28 0.04 -0.01 0.74 -0.87 0.00 0.00 176.83 178.01 2aff h THR 66 N 0.00 1.42 -2.89 2.95 2.02 -2.00 -3.42 112.91 110.99 2aff h THR 66 Ca -0.01 -1.58 -0.55 0.00 0.77 0.00 0.00 66.41 65.04 2aff h THR 66 Cb 1.04 2.46 -0.40 0.00 -1.74 0.00 0.00 68.15 69.51 2aff h THR 66 CO 0.00 0.39 -0.78 0.20 0.37 0.00 0.00 175.52 175.71 2aff s ASN 67 N -5.85 3.67 0.45 4.18 0.01 -1.26 -5.13 114.94 111.01 2aff s ASN 67 Ca -0.16 -1.45 -0.23 0.00 -0.71 0.00 0.00 52.86 50.30 2aff s ASN 67 Cb -0.00 -0.52 -0.09 0.00 0.41 0.00 0.00 41.25 41.05 2aff s ASN 67 CO 0.64 -0.42 1.05 -2.65 -1.51 0.00 0.00 177.10 174.20 2aff n PRO 68 N 5.05 1.38 -2.37 -0.60 -0.02 -1.19 -4.71 135.00 132.54 2aff n PRO 68 Ca -0.04 0.50 -0.40 0.00 -2.02 0.00 0.00 63.50 61.54 2aff n PRO 68 Cb 0.42 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 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 -1.31 3.26 -0.09 3.45 2.01 -1.26 -4.84 115.64 116.87 2aff s THR 69 Ca 0.65 1.27 -0.03 0.00 0.31 0.00 0.00 61.69 63.89 2aff s THR 69 Cb -0.52 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 2aff s THR 69 CO 0.55 0.30 0.04 -1.10 -0.69 0.00 0.00 174.62 173.72 2aff s GLN 70 N -1.52 3.09 -0.03 4.92 -0.21 0.72 -1.60 119.66 125.04 2aff s GLN 70 Ca 0.46 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.50 2aff s GLN 70 Cb -0.34 -2.89 0.01 0.00 1.00 0.00 0.00 33.01 30.79 2aff s GLN 70 CO 0.44 0.72 -0.06 0.54 -2.12 0.00 0.00 175.29 174.81 2aff s VAL 71 N -0.95 0.59 -1.15 1.09 0.11 0.43 0.29 120.40 120.82 2aff s VAL 71 Ca 0.15 -0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 58.94 2aff s VAL 71 Cb -0.12 -0.55 0.02 0.00 -1.53 0.00 0.00 36.38 34.20 2aff s VAL 71 CO 0.04 0.21 0.18 0.59 -3.33 0.00 0.00 175.10 172.78 2aff n ASN 72 N 3.53 -3.99 -0.78 3.54 3.02 -0.72 0.11 115.26 119.97 2aff n ASN 72 Ca -0.20 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.28 2aff n ASN 72 Cb 0.54 -3.35 -0.01 0.00 -0.61 0.00 0.00 39.78 36.34 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 -0.96 0.29 2.86 7.41 0.00 -1.26 -5.03 105.19 108.50 2aff n GLY 73 Ca -0.11 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.73 0.16 0.35 1.61 0.15 0.30 -5.09 113.70 108.46 2aff s SER 74 Ca 0.00 -0.01 -0.26 0.00 0.70 0.00 0.00 55.95 56.38 2aff s SER 74 Cb 0.00 -0.05 -0.09 0.00 -1.71 0.00 0.00 66.02 64.17 2aff s SER 74 CO 0.00 -0.03 1.10 0.68 1.20 0.00 0.00 173.24 176.19 2aff s VAL 75 N 0.32 3.50 -0.36 4.45 -7.23 -1.26 0.16 120.40 119.98 2aff s VAL 75 Ca -0.03 1.30 0.01 0.00 -1.81 0.00 0.00 61.98 61.46 2aff s VAL 75 Cb -0.05 -3.75 0.10 0.00 0.56 0.00 0.00 36.38 33.24 2aff s VAL 75 CO -0.01 0.16 0.11 0.27 -0.31 0.00 0.00 175.10 175.32 2aff s ILE 76 N -1.41 2.70 0.11 -0.62 -4.36 -0.63 -4.90 121.20 112.09 2aff s ILE 76 Ca 0.52 -2.18 0.29 0.00 -0.26 0.00 0.00 60.65 59.02 2aff s ILE 76 Cb -0.28 -2.91 0.31 0.00 1.25 0.00 0.00 42.46 40.84 2aff s ILE 76 CO 0.35 -0.61 1.90 0.44 0.24 0.00 0.00 174.94 177.27 2aff h ASP 77 N 7.80 0.00 -3.24 4.36 3.32 -1.96 -3.42 116.42 123.29 2aff h ASP 77 Ca -0.09 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.42 2aff h ASP 77 Cb 1.03 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.45 2aff h ASP 77 CO 0.59 0.11 -0.52 -1.61 -1.72 0.00 0.00 179.24 176.09 2aff s GLU 78 N -3.66 1.89 0.44 3.56 2.02 -1.26 -4.89 118.70 116.80 2aff s GLU 78 Ca 0.01 -2.14 -0.26 0.00 0.02 0.00 0.00 54.97 52.60 2aff s GLU 78 Cb 0.09 -0.60 -0.09 0.00 0.10 0.00 0.00 34.13 33.64 2aff s GLU 78 CO 0.59 -0.46 1.45 -2.30 0.02 0.00 0.00 175.26 174.57 2aff n PRO 79 N -0.88 2.34 -4.37 0.39 -0.02 -1.26 -4.55 135.00 126.65 2aff n PRO 79 Ca -0.05 0.83 -0.19 0.00 -2.02 0.00 0.00 63.50 62.07 2aff n PRO 79 Cb 0.65 -2.65 -0.15 0.00 -0.02 0.00 0.00 33.50 31.33 2aff n PRO 79 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2aff s VAL 80 N -1.18 0.71 -0.04 -1.45 1.01 0.38 -4.98 120.40 114.85 2aff s VAL 80 Ca 0.60 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 2aff s VAL 80 Cb -0.45 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 2aff s VAL 80 CO 0.58 0.21 1.14 -0.60 0.00 0.00 0.00 175.10 176.43 2aff s ARG 81 N -0.14 4.40 0.16 2.72 3.52 -1.26 0.20 118.95 128.55 2aff s ARG 81 Ca 0.02 1.61 -0.27 0.00 -0.13 0.00 0.00 55.73 56.96 2aff s ARG 81 Cb -0.04 -3.50 -0.08 0.00 -1.56 0.00 0.00 34.95 29.77 2aff s ARG 81 CO -0.00 -0.34 0.83 -0.51 -0.81 0.00 0.00 175.30 174.47 2aff s LEU 82 N 1.82 4.57 0.09 -0.88 1.43 0.52 -4.89 118.68 121.34 2aff s LEU 82 Ca 0.55 1.70 0.06 0.00 -1.03 0.00 0.00 54.13 55.41 2aff s LEU 82 Cb -0.24 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 2aff s LEU 82 CO 0.23 0.13 -0.17 -0.54 0.23 0.00 0.00 176.35 176.24 2aff s LYS 83 N -0.84 0.97 -0.03 1.70 1.02 -1.26 -4.59 119.74 116.72 2aff s LYS 83 Ca 0.39 -1.09 -0.34 0.00 0.02 0.00 0.00 55.97 54.95 2aff s LYS 83 Cb -0.23 -1.05 -0.12 0.00 -0.52 0.00 0.00 37.83 35.91 2aff s LYS 83 CO 0.27 0.23 1.82 1.58 -0.92 0.00 0.00 175.35 178.34 2aff n HIS 84 N 1.06 2.33 0.00 3.18 -0.00 -1.26 -0.55 115.22 119.98 2aff n HIS 84 Ca -0.19 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 2aff n HIS 84 Cb 0.54 -2.65 0.00 0.00 -0.00 0.00 0.00 29.99 27.89 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 4.20 2.22 3.75 1.57 0.00 -0.72 -4.95 105.19 111.26 2aff n GLY 85 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.53 6.69 -0.11 1.61 1.01 0.29 -4.76 116.67 119.86 2aff s ASP 86 Ca 0.00 2.67 0.01 0.00 0.71 0.00 0.00 52.55 55.94 2aff s ASP 86 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2aff s ASP 86 CO 0.00 -0.65 -0.14 -0.69 0.21 0.00 0.00 175.17 173.90 2aff s VAL 87 N -0.35 2.99 -0.14 -1.27 1.01 -1.26 -1.72 120.40 119.65 2aff s VAL 87 Ca 0.56 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 2aff s VAL 87 Cb -0.41 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 2aff s VAL 87 CO 0.46 0.54 0.32 -0.63 0.00 0.00 0.00 175.10 175.80 2aff s ILE 88 N 0.05 5.27 -0.12 2.22 1.01 -0.68 -1.75 121.20 127.20 2aff s ILE 88 Ca -0.05 0.61 0.02 0.00 0.00 0.00 0.00 60.65 61.23 2aff s ILE 88 Cb -0.15 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.69 2aff s ILE 88 CO 0.04 0.41 -0.17 -0.89 0.00 0.00 0.00 174.94 174.34 2aff s THR 89 N 0.28 1.63 -0.17 2.92 2.01 0.86 -0.03 115.64 123.15 2aff s THR 89 Ca 0.18 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.45 2aff s THR 89 Cb -0.14 -1.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 2aff s THR 89 CO 0.06 0.47 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.73 2aff s ILE 90 N 0.98 3.19 0.00 1.82 1.01 0.73 -0.20 121.20 128.74 2aff s ILE 90 Ca -0.06 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.00 2aff s ILE 90 Cb -0.15 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.93 2aff s ILE 90 CO -0.02 0.49 0.00 -0.38 0.00 0.00 0.00 174.94 175.02 2aff n ILE 91 N 4.03 0.00 -1.19 2.92 5.41 -1.26 0.27 119.36 129.54 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 0.09 0.00 -0.71 0.00 0.00 39.64 39.54 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 1.76 1.74 -4.16 4.38 -0.08 -1.26 -5.03 116.55 113.91 2aff n ASP 92 Ca 0.00 -2.71 -0.23 0.00 -1.51 0.00 0.00 54.79 50.33 2aff n ASP 92 Cb 0.00 -0.34 -0.15 0.00 2.34 0.00 0.00 41.12 42.98 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2aff s ARG 93 N -2.03 1.24 0.04 -0.67 0.52 0.78 -4.76 118.95 114.08 2aff s ARG 93 Ca 0.22 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 2aff s ARG 93 Cb 0.19 -1.24 -0.03 0.00 0.52 0.00 0.00 34.95 34.39 2aff s ARG 93 CO 0.02 0.33 -0.04 -1.54 0.02 0.00 0.00 175.30 174.09 2aff s SER 94 N -0.67 0.46 -0.14 0.23 1.04 -1.26 0.26 113.70 113.62 2aff s SER 94 Ca 0.05 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.78 2aff s SER 94 Cb -0.07 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.20 2aff s SER 94 CO 0.00 -0.41 -0.16 -0.36 0.98 0.00 0.00 173.24 173.29 2aff s PHE 95 N -2.46 2.31 -0.06 5.02 0.40 0.96 -2.17 117.98 121.98 2aff s PHE 95 Ca -0.05 -1.26 -0.30 0.00 -0.60 0.00 0.00 56.93 54.72 2aff s PHE 95 Cb -0.03 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.83 2aff s PHE 95 CO -0.04 -0.65 0.99 0.50 0.70 0.00 0.00 175.22 176.72 2aff s ARG 96 N 1.26 4.49 -0.21 0.44 3.52 -0.68 -1.69 118.95 126.08 2aff s ARG 96 Ca 0.01 1.39 -0.15 0.00 -0.13 0.00 0.00 55.73 56.85 2aff s ARG 96 Cb -0.14 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 2aff s ARG 96 CO -0.08 -0.18 0.37 -0.47 -0.81 0.00 0.00 175.30 174.12 2aff s TYR 97 N 1.52 3.36 -0.14 5.12 5.04 -0.70 -1.83 117.35 129.72 2aff s TYR 97 Ca 0.50 0.56 0.01 0.00 -2.44 0.00 0.00 57.07 55.70 2aff s TYR 97 Cb -0.20 -2.49 0.02 0.00 0.35 0.00 0.00 41.96 39.64 2aff s TYR 97 CO 0.23 -0.01 -0.14 -1.21 -1.34 0.00 0.00 175.55 173.08 2aff s GLU 98 N 1.30 2.25 -0.25 4.97 2.02 -0.56 -1.75 118.70 126.67 2aff s GLU 98 Ca 0.17 -0.55 -0.00 0.00 0.02 0.00 0.00 54.97 54.61 2aff s GLU 98 Cb -0.15 -2.03 0.04 0.00 0.10 0.00 0.00 34.13 32.09 2aff s GLU 98 CO 0.08 -0.18 -0.08 1.21 0.02 0.00 0.00 175.26 176.30 2aff s ASN 99 N 1.34 4.31 0.00 -0.19 2.47 -1.26 -1.02 114.94 120.59 2aff s ASN 99 Ca 0.01 -1.02 0.25 0.00 0.42 0.00 0.00 52.86 52.52 2aff s ASN 99 Cb -0.13 -1.63 1.47 0.00 -1.45 0.00 0.00 41.25 39.51 2aff s ASN 99 CO -0.08 -0.15 1.83 1.21 -3.72 0.00 0.00 177.10 176.19