#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 1.26 -3.53 0.52 1.35 -1.96 -3.42 112.91 107.12 2aff h THR 4 Ca 0.00 -1.19 -0.62 0.00 -0.55 0.00 0.00 66.41 64.05 2aff h THR 4 Cb 0.00 1.22 -0.12 0.00 -1.73 0.00 0.00 68.15 67.52 2aff h THR 4 CO 0.00 0.39 0.13 -0.13 -0.25 0.00 0.00 175.52 175.66 2aff s ARG 5 N -4.63 3.94 -0.09 4.72 1.81 -1.26 -0.78 118.95 122.66 2aff s ARG 5 Ca -0.08 0.33 0.02 0.00 -1.72 0.00 0.00 55.73 54.28 2aff s ARG 5 Cb 0.14 -3.71 0.01 0.00 -0.45 0.00 0.00 34.95 30.94 2aff s ARG 5 CO 0.80 -0.53 -0.13 0.50 -0.68 0.00 0.00 175.30 175.26 2aff s ARG 6 N 2.55 1.90 0.02 3.54 3.52 -0.73 -1.43 118.95 128.33 2aff s ARG 6 Ca 0.25 -0.46 0.05 0.00 -0.13 0.00 0.00 55.73 55.44 2aff s ARG 6 Cb -0.15 -1.62 -0.03 0.00 -1.56 0.00 0.00 34.95 31.59 2aff s ARG 6 CO 0.11 -0.03 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.93 2aff s LEU 7 N 0.89 2.87 -0.09 -0.88 1.43 -0.88 -1.47 118.68 120.55 2aff s LEU 7 Ca -0.10 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2aff s LEU 7 Cb -0.15 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.40 2aff s LEU 7 CO 0.01 0.27 -0.23 -0.69 0.23 0.00 0.00 176.35 175.94 2aff s VAL 8 N -0.96 1.94 0.26 -1.59 1.01 -0.93 -0.84 120.40 119.29 2aff s VAL 8 Ca 0.16 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 60.91 2aff s VAL 8 Cb -0.11 -1.68 -0.09 0.00 0.00 0.00 0.00 36.38 34.50 2aff s VAL 8 CO 0.06 0.53 0.89 -0.89 0.00 0.00 0.00 175.10 175.70 2aff s THR 9 N 0.29 4.23 -0.12 3.92 2.01 -1.00 -1.55 115.64 123.42 2aff s THR 9 Ca -0.16 1.83 -0.02 0.00 0.31 0.00 0.00 61.69 63.65 2aff s THR 9 Cb -0.17 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 2aff s THR 9 CO 0.07 0.34 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.68 2aff s ILE 10 N -1.38 3.99 0.36 1.82 -1.09 -0.50 -2.11 121.20 122.30 2aff s ILE 10 Ca 0.44 -0.34 -0.05 0.00 -2.23 0.00 0.00 60.65 58.46 2aff s ILE 10 Cb -0.22 -2.71 -0.05 0.00 -1.58 0.00 0.00 42.46 37.90 2aff s ILE 10 CO 0.27 0.54 0.65 -0.54 -1.23 0.00 0.00 174.94 174.63 2aff s LYS 11 N -0.17 3.62 0.58 2.79 1.02 0.35 -4.27 119.74 123.67 2aff s LYS 11 Ca 0.04 0.10 0.28 0.00 0.02 0.00 0.00 55.97 56.41 2aff s LYS 11 Cb -0.13 -2.53 1.71 0.00 -0.52 0.00 0.00 37.83 36.36 2aff s LYS 11 CO 0.02 0.06 2.19 0.00 -0.92 0.00 0.00 175.35 176.70 2aff h ARG 12 N 1.14 0.00 0.00 1.68 3.08 -1.88 1.13 114.38 119.53 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 0.00 -1.13 -1.07 0.00 0.00 179.97 178.41 2aff n SER 13 N -3.91 0.02 -0.28 7.04 3.41 -1.26 -4.88 113.62 113.76 2aff n SER 13 Ca -0.01 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 2aff n SER 13 Cb 0.17 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 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 1.24 0.94 3.21 5.00 0.00 0.39 -5.08 105.19 110.89 2aff n GLY 14 Ca 0.06 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.56 1.84 0.16 1.61 1.01 -1.23 -4.82 120.40 116.42 2aff s VAL 15 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 2aff s VAL 15 Cb 0.00 -1.57 -0.08 0.00 0.00 0.00 0.00 36.38 34.73 2aff s VAL 15 CO 0.00 0.51 1.26 -1.81 0.00 0.00 0.00 175.10 175.07 2aff s ASP 16 N 0.00 6.99 0.00 3.32 1.01 -1.26 -0.50 116.67 126.23 2aff s ASP 16 Ca -0.06 2.27 0.00 0.00 0.71 0.00 0.00 52.55 55.47 2aff s ASP 16 Cb -0.14 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.19 2aff s ASP 16 CO 0.04 -0.48 0.00 0.61 0.21 0.00 0.00 175.17 175.55 2aff n GLY 17 N 2.58 2.01 3.78 0.21 0.00 -0.90 -4.94 105.19 107.92 2aff n GLY 17 Ca 0.07 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 2.80 4.21 -0.10 1.61 0.04 -1.26 -4.75 135.00 137.55 2aff s PRO 18 Ca 0.00 1.58 -0.05 0.00 0.04 0.00 0.00 61.00 62.57 2aff s PRO 18 Cb 0.00 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 2aff s PRO 18 CO 0.00 -0.11 0.11 -1.01 0.04 0.00 0.00 177.00 176.03 2aff s HIS 19 N -1.57 3.48 -0.46 0.56 3.76 -1.26 -2.38 115.29 117.43 2aff s HIS 19 Ca 0.56 0.43 -0.01 0.00 -0.15 0.00 0.00 55.06 55.88 2aff s HIS 19 Cb -0.24 -1.89 0.12 0.00 1.11 0.00 0.00 32.58 31.68 2aff s HIS 19 CO 0.30 0.67 0.24 0.12 -0.85 0.00 0.00 174.74 175.22 2aff s PHE 20 N -1.03 3.54 0.22 1.40 5.36 -0.02 -4.97 117.98 122.49 2aff s PHE 20 Ca 0.16 -2.63 -0.30 0.00 -0.96 0.00 0.00 56.93 53.20 2aff s PHE 20 Cb -0.12 -3.15 -0.09 0.00 -0.34 0.00 0.00 43.02 39.32 2aff s PHE 20 CO 0.05 -0.92 0.95 -1.25 -1.46 0.00 0.00 175.22 172.59 2aff s PRO 21 N 0.72 4.82 -0.24 10.12 0.04 -1.26 -2.08 135.00 147.12 2aff s PRO 21 Ca 0.11 1.50 -0.10 0.00 0.04 0.00 0.00 61.00 62.56 2aff s PRO 21 Cb -0.22 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 2aff s PRO 21 CO -0.04 0.46 0.14 -0.51 0.04 0.00 0.00 177.00 177.08 2aff s LEU 22 N -1.02 3.96 0.00 -3.56 1.43 -0.52 -4.87 118.68 114.09 2aff s LEU 22 Ca 0.42 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 2aff s LEU 22 Cb -0.26 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 43.90 2aff s LEU 22 CO 0.32 0.05 0.34 -1.54 0.23 0.00 0.00 176.35 175.75 2aff n SER 23 N 4.41 0.69 -4.79 2.29 3.41 -1.26 -4.25 113.62 114.12 2aff n SER 23 Ca -0.15 -0.92 -0.32 0.00 -0.26 0.00 0.00 58.87 57.22 2aff n SER 23 Cb 0.52 0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 64.51 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 -0.21 3.88 0.44 1.04 1.43 -1.26 -5.00 118.68 119.00 2aff s LEU 24 Ca 0.00 0.08 0.30 0.00 -1.03 0.00 0.00 54.13 53.48 2aff s LEU 24 Cb 0.00 -2.42 1.42 0.00 0.03 0.00 0.00 46.19 45.22 2aff s LEU 24 CO 0.00 0.22 1.91 0.77 0.23 0.00 0.00 176.35 179.48 2aff h SER 25 N 3.64 0.00 -3.68 2.29 4.64 -1.96 -3.42 113.55 115.05 2aff h SER 25 Ca -0.48 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.41 2aff h SER 25 Cb 1.17 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.94 2aff h SER 25 CO 0.65 0.00 -0.79 -0.89 -0.87 0.00 0.00 176.83 174.93 2aff s THR 26 N -3.63 0.76 -0.13 2.95 2.01 -1.26 -0.73 115.64 115.62 2aff s THR 26 Ca 0.00 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.69 2aff s THR 26 Cb 0.09 -0.70 0.02 0.00 0.01 0.00 0.00 72.50 71.92 2aff s THR 26 CO 0.40 0.25 -0.12 0.00 -0.69 0.00 0.00 174.62 174.46 2aff s LEU 28 N 1.42 2.05 -0.06 0.00 2.96 -1.26 -0.15 118.68 123.64 2aff s LEU 28 Ca 0.02 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 2aff s LEU 28 Cb -0.13 -1.33 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 2aff s LEU 28 CO -0.08 0.18 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.73 2aff s PHE 29 N 0.16 3.01 -5.00 5.38 0.40 0.15 0.17 117.98 122.25 2aff s PHE 29 Ca -0.12 0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 2aff s PHE 29 Cb -0.16 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.65 2aff s PHE 29 CO 0.06 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.78 2aff n GLY 30 N 2.06 -1.06 0.15 4.36 0.00 -0.68 -2.43 105.19 107.60 2aff n GLY 30 Ca -0.18 -1.58 -0.08 0.00 0.00 0.00 0.00 46.02 44.18 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 2.76 0.27 -6.44 1.61 3.08 -1.34 -3.19 114.38 111.13 2aff h ARG 31 Ca 0.00 -0.24 -0.59 0.00 0.07 0.00 0.00 59.98 59.22 2aff h ARG 31 Cb 0.00 0.06 0.16 0.00 0.08 0.00 0.00 29.97 30.27 2aff h ARG 31 CO 0.00 0.91 -0.40 0.41 -1.07 0.00 0.00 179.97 179.82 2aff n GLY 32 N 0.62 -1.50 0.25 0.04 0.00 -0.94 -4.83 105.19 98.83 2aff n GLY 32 Ca -0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 0.46 1.27 -0.08 -0.61 6.09 -1.90 -2.18 117.51 120.55 2aff h ILE 33 Ca -0.44 -1.11 0.02 0.00 -1.37 0.00 0.00 64.86 61.96 2aff h ILE 33 Cb 1.40 1.03 -0.00 0.00 0.47 0.00 0.00 36.82 39.71 2aff h ILE 33 CO 0.49 0.39 0.09 -0.08 -3.07 0.00 0.00 178.15 175.96 2aff h GLU 34 N 0.72 0.00 -6.12 2.19 4.81 -1.96 -3.41 114.58 110.81 2aff h GLU 34 Ca 0.13 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.71 2aff h GLU 34 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2aff h GLU 34 CO 0.03 0.00 1.22 0.00 -0.73 0.00 0.00 179.01 179.53 2aff h ASP 36 N 10.56 0.00 -3.23 0.00 3.32 -0.52 -3.35 116.42 123.20 2aff h ASP 36 Ca -0.40 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.14 2aff h ASP 36 Cb 1.30 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.48 2aff h ASP 36 CO 0.98 0.00 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.07 2aff s ILE 37 N -4.55 1.01 -0.13 0.35 1.01 0.05 -4.94 121.20 114.01 2aff s ILE 37 Ca -0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 2aff s ILE 37 Cb 0.14 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 2aff s ILE 37 CO 0.51 0.36 0.02 -0.13 0.00 0.00 0.00 174.94 175.70 2aff s ARG 38 N 1.51 3.40 -0.11 2.79 0.52 -1.25 -1.69 118.95 124.11 2aff s ARG 38 Ca 0.01 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 54.85 2aff s ARG 38 Cb -0.13 -2.95 -0.00 0.00 0.52 0.00 0.00 34.95 32.39 2aff s ARG 38 CO -0.06 0.51 -0.20 0.42 0.02 0.00 0.00 175.30 175.99 2aff s ILE 39 N -0.34 2.38 0.00 1.52 1.01 -1.20 -4.98 121.20 119.58 2aff s ILE 39 Ca 0.07 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2aff s ILE 39 Cb -0.12 -1.94 0.00 0.00 0.01 0.00 0.00 42.46 40.40 2aff s ILE 39 CO 0.02 0.55 0.98 0.00 0.00 0.00 0.00 174.94 176.48 2aff n GLN 40 N 3.57 0.69 -4.50 2.79 6.02 -1.26 -4.63 117.38 120.05 2aff n GLN 40 Ca -0.19 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.47 2aff n GLN 40 Cb 0.53 -1.16 -0.13 0.00 1.02 0.00 0.00 30.24 30.50 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 3.01 0.01 1.08 1.43 -1.26 -4.99 118.68 117.96 2aff s LEU 41 Ca 0.00 -0.23 0.19 0.00 -1.03 0.00 0.00 54.13 53.06 2aff s LEU 41 Cb 0.00 -1.71 0.80 0.00 0.03 0.00 0.00 46.19 45.31 2aff s LEU 41 CO 0.00 0.15 1.60 -0.81 0.23 0.00 0.00 176.35 177.52 2aff n PRO 42 N 3.64 0.01 -0.03 1.29 -0.04 -1.26 -2.36 135.00 136.25 2aff n PRO 42 Ca -0.18 0.19 0.13 0.00 -0.04 0.00 0.00 63.50 63.60 2aff n PRO 42 Cb 0.52 -1.52 0.34 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.54 0.08 -3.26 0.52 0.24 -1.26 -4.88 118.33 108.22 2aff n VAL 43 Ca 0.04 -0.39 -0.39 0.00 -2.04 0.00 0.00 64.34 61.56 2aff n VAL 43 Cb 0.22 0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 33.39 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 -1.92 4.91 0.89 3.34 1.01 -1.00 -4.92 120.40 122.72 2aff s VAL 44 Ca 0.34 1.16 -0.11 0.00 0.00 0.00 0.00 61.98 63.37 2aff s VAL 44 Cb 0.20 -3.89 0.12 0.00 0.00 0.00 0.00 36.38 32.82 2aff s VAL 44 CO 0.31 0.46 1.09 -0.44 0.00 0.00 0.00 175.10 176.52 2aff s SER 45 N -0.40 3.54 0.17 3.32 0.01 -1.26 -4.56 113.70 114.52 2aff s SER 45 Ca 0.29 1.50 -0.13 0.00 1.31 0.00 0.00 55.95 58.93 2aff s SER 45 Cb -0.18 -2.18 0.07 0.00 0.21 0.00 0.00 66.02 63.93 2aff s SER 45 CO 0.16 -2.60 1.74 0.11 0.41 0.00 0.00 173.24 173.07 2aff h LYS 46 N -1.52 0.83 0.00 12.44 1.57 -1.94 -2.02 116.57 125.93 2aff h LYS 46 Ca -0.49 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.09 2aff h LYS 46 Cb 1.28 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2aff h LYS 46 CO 0.54 0.69 -1.50 1.04 -0.57 0.00 0.00 179.45 179.65 2aff n GLN 47 N -4.53 1.23 0.00 3.15 1.13 -1.26 -2.23 117.38 114.87 2aff n GLN 47 Ca 0.03 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 2aff n GLN 47 Cb 0.13 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.26 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 -2.03 0.00 -4.56 1.08 -0.00 -1.20 -4.01 115.22 104.49 2aff n HIS 48 Ca -0.07 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.88 2aff n HIS 48 Cb 0.47 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.18 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 0.32 1.85 -0.07 0.00 2.20 -0.70 0.30 119.74 123.64 2aff s LYS 50 Ca -0.07 -0.54 0.04 0.00 -0.36 0.00 0.00 55.97 55.05 2aff s LYS 50 Cb -0.12 -1.54 -0.01 0.00 -1.51 0.00 0.00 37.83 34.65 2aff s LYS 50 CO 0.02 0.14 -0.20 0.42 -0.36 0.00 0.00 175.35 175.36 2aff s ILE 51 N 0.35 2.47 -0.14 5.43 1.01 0.79 0.50 121.20 131.61 2aff s ILE 51 Ca -0.10 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.66 2aff s ILE 51 Cb -0.14 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.40 2aff s ILE 51 CO 0.04 0.57 -0.21 -0.70 0.00 0.00 0.00 174.94 174.63 2aff s GLU 52 N -0.20 2.94 -0.30 2.79 2.12 -0.27 -1.77 118.70 124.02 2aff s GLU 52 Ca -0.01 -0.83 -0.11 0.00 0.36 0.00 0.00 54.97 54.38 2aff s GLU 52 Cb -0.13 -2.40 -0.03 0.00 0.26 0.00 0.00 34.13 31.83 2aff s GLU 52 CO 0.03 -0.04 0.17 0.42 -0.54 0.00 0.00 175.26 175.31 2aff s ILE 53 N 0.87 4.97 -0.04 -3.70 1.01 0.10 -1.35 121.20 123.06 2aff s ILE 53 Ca -0.06 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.50 2aff s ILE 53 Cb -0.15 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 2aff s ILE 53 CO -0.03 0.16 -0.12 -1.00 0.00 0.00 0.00 174.94 173.95 2aff s HIS 54 N 1.69 2.77 0.56 3.97 3.76 0.18 -4.89 115.29 123.35 2aff s HIS 54 Ca 0.06 -0.10 0.45 0.00 -0.15 0.00 0.00 55.06 55.31 2aff s HIS 54 Cb -0.16 -1.63 1.53 0.00 1.11 0.00 0.00 32.58 33.42 2aff s HIS 54 CO 0.09 0.25 1.49 0.39 -0.85 0.00 0.00 174.74 176.11 2aff n GLU 55 N 2.12 0.00 0.10 1.40 1.02 -1.26 0.33 120.64 124.35 2aff n GLU 55 Ca -0.17 1.06 -0.04 0.00 -0.02 0.00 0.00 57.16 57.99 2aff n GLU 55 Cb 0.52 -2.49 -0.02 0.00 -0.02 0.00 0.00 31.44 29.43 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 -0.25 0.00 3.49 4.15 -2.01 -3.49 115.11 117.00 2aff h GLN 56 Ca 0.83 0.02 0.00 0.00 0.77 0.00 0.00 58.65 60.27 2aff h GLN 56 Cb 3.57 0.06 0.00 0.00 0.21 0.00 0.00 27.48 31.31 2aff h GLN 56 CO -0.01 -0.17 0.00 -1.91 -1.93 0.00 0.00 178.83 174.81 2aff n GLU 57 N -2.82 0.00 -4.58 1.69 4.07 0.15 -5.16 120.64 113.99 2aff n GLU 57 Ca -0.03 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.73 2aff n GLU 57 Cb 0.10 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.35 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2aff s ALA 58 N -1.09 2.82 -0.12 4.31 0.00 -1.26 -0.64 121.76 125.77 2aff s ALA 58 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.13 2aff s ALA 58 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.73 2aff s ALA 58 CO 0.00 0.23 -0.21 0.42 0.00 0.00 0.00 175.76 176.20 2aff s ILE 59 N 0.35 2.25 -0.19 0.00 1.01 -0.45 0.67 121.20 124.83 2aff s ILE 59 Ca -0.07 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.51 2aff s ILE 59 Cb -0.15 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 2aff s ILE 59 CO 0.04 0.55 0.26 -0.22 0.00 0.00 0.00 174.94 175.57 2aff s LEU 60 N 0.53 4.19 -0.08 2.97 2.96 -0.52 -1.11 118.68 127.61 2aff s LEU 60 Ca -0.13 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 2aff s LEU 60 Cb -0.17 -2.30 -0.02 0.00 0.50 0.00 0.00 46.19 44.20 2aff s LEU 60 CO 0.05 0.07 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.02 2aff s HIS 61 N 0.77 2.79 -0.50 5.38 3.76 0.18 -2.22 115.29 125.45 2aff s HIS 61 Ca 0.14 -0.28 -0.17 0.00 -0.15 0.00 0.00 55.06 54.59 2aff s HIS 61 Cb -0.13 -1.72 0.07 0.00 1.11 0.00 0.00 32.58 31.91 2aff s HIS 61 CO 0.04 0.08 0.52 1.21 -0.85 0.00 0.00 174.74 175.74 2aff s ASN 62 N -0.36 6.19 0.00 1.40 3.84 -1.26 -1.72 114.94 123.02 2aff s ASN 62 Ca 0.04 -1.19 0.22 0.00 0.21 0.00 0.00 52.86 52.15 2aff s ASN 62 Cb -0.12 -2.24 0.04 0.00 -0.55 0.00 0.00 41.25 38.38 2aff s ASN 62 CO 0.02 -0.80 1.09 0.49 -2.79 0.00 0.00 177.10 175.11 2aff n PHE 63 N 5.71 0.00 -2.06 0.43 3.01 -0.44 -4.84 117.46 119.27 2aff n PHE 63 Ca -0.10 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.97 2aff n PHE 63 Cb 0.44 -0.08 -0.03 0.00 -0.01 0.00 0.00 39.48 39.80 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 -2.97 5.40 0.00 4.37 0.01 -0.27 -4.61 113.70 115.64 2aff s SER 64 Ca 0.10 0.43 0.26 0.00 1.31 0.00 0.00 55.95 58.05 2aff s SER 64 Cb 0.17 -2.53 0.66 0.00 0.21 0.00 0.00 66.02 64.53 2aff s SER 64 CO 0.80 -2.25 1.53 -1.54 0.41 0.00 0.00 173.24 172.18 2aff n SER 65 N 12.24 0.39 -0.13 2.44 3.41 -1.26 -3.69 113.62 127.03 2aff n SER 65 Ca 0.20 -0.07 -0.21 0.00 -0.26 0.00 0.00 58.87 58.53 2aff n SER 65 Cb 0.51 0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.43 2aff n SER 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2aff n THR 66 N -1.52 1.43 -3.60 6.66 -1.04 -1.26 -4.88 114.28 110.07 2aff n THR 66 Ca 0.06 -0.49 -0.29 0.00 -2.04 0.00 0.00 64.05 61.29 2aff n THR 66 Cb 0.34 -1.53 -0.14 0.00 -1.82 0.00 0.00 70.33 67.18 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 -6.72 3.51 0.43 8.00 0.01 -1.26 -5.13 114.94 113.79 2aff s ASN 67 Ca -0.35 -1.93 -0.25 0.00 -0.71 0.00 0.00 52.86 49.63 2aff s ASN 67 Cb 0.10 -0.63 -0.09 0.00 0.41 0.00 0.00 41.25 41.04 2aff s ASN 67 CO 0.54 -0.36 1.29 -2.65 -1.51 0.00 0.00 177.10 174.41 2aff n PRO 68 N 4.43 1.93 -2.50 -0.60 -0.02 -1.24 -4.66 135.00 132.34 2aff n PRO 68 Ca 0.04 0.69 -0.38 0.00 -2.02 0.00 0.00 63.50 61.83 2aff n PRO 68 Cb 0.39 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 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 -1.21 3.59 -0.10 3.45 2.01 -1.26 -4.85 115.64 117.28 2aff s THR 69 Ca 0.62 1.34 -0.04 0.00 0.31 0.00 0.00 61.69 63.92 2aff s THR 69 Cb -0.50 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 2aff s THR 69 CO 0.57 0.12 0.04 -1.10 -0.69 0.00 0.00 174.62 173.56 2aff s GLN 70 N -2.18 3.16 -0.04 4.92 -0.21 -0.95 -1.55 119.66 122.81 2aff s GLN 70 Ca 0.54 -0.33 0.02 0.00 0.02 0.00 0.00 55.36 55.61 2aff s GLN 70 Cb -0.26 -2.92 0.01 0.00 1.00 0.00 0.00 33.01 30.84 2aff s GLN 70 CO 0.32 0.70 -0.10 0.08 -2.12 0.00 0.00 175.29 174.18 2aff s VAL 71 N -0.86 0.90 -1.29 1.09 1.01 0.28 0.11 120.40 121.64 2aff s VAL 71 Ca 0.13 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 2aff s VAL 71 Cb -0.12 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.46 2aff s VAL 71 CO 0.03 0.29 0.21 0.59 0.00 0.00 0.00 175.10 176.22 2aff n ASN 72 N 3.55 -4.51 -0.71 3.32 3.02 -0.18 -0.25 115.26 119.50 2aff n ASN 72 Ca -0.21 -0.05 -0.07 0.00 -0.03 0.00 0.00 54.58 54.23 2aff n ASN 72 Cb 0.53 -3.75 -0.01 0.00 -0.61 0.00 0.00 39.78 35.93 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 -1.04 0.34 2.97 7.41 0.00 -1.26 -5.03 105.19 108.58 2aff n GLY 73 Ca -0.13 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.76 -0.10 0.33 1.61 0.15 0.65 -5.10 113.70 108.47 2aff s SER 74 Ca 0.00 0.19 -0.28 0.00 0.70 0.00 0.00 55.95 56.56 2aff s SER 74 Cb 0.00 0.20 -0.10 0.00 -1.71 0.00 0.00 66.02 64.41 2aff s SER 74 CO 0.00 -0.03 1.21 0.54 1.20 0.00 0.00 173.24 176.15 2aff s VAL 75 N 0.06 3.07 -0.60 4.45 0.11 -1.26 0.10 120.40 126.33 2aff s VAL 75 Ca -0.00 1.04 -0.01 0.00 -2.93 0.00 0.00 61.98 60.08 2aff s VAL 75 Cb -0.01 -3.65 0.15 0.00 -1.53 0.00 0.00 36.38 31.35 2aff s VAL 75 CO 0.00 0.22 0.40 0.27 -3.33 0.00 0.00 175.10 172.66 2aff s ILE 76 N -1.20 3.48 0.34 7.04 -4.36 -0.60 -4.88 121.20 121.02 2aff s ILE 76 Ca 0.49 -3.00 0.15 0.00 -0.26 0.00 0.00 60.65 58.02 2aff s ILE 76 Cb -0.35 -3.30 0.10 0.00 1.25 0.00 0.00 42.46 40.17 2aff s ILE 76 CO 0.46 -0.86 1.81 0.44 0.24 0.00 0.00 174.94 177.03 2aff h ASP 77 N 6.96 0.00 -2.08 4.36 3.32 -1.95 -3.43 116.42 123.60 2aff h ASP 77 Ca -0.03 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.43 2aff h ASP 77 Cb 0.94 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.38 2aff h ASP 77 CO 0.71 0.38 -0.67 -1.83 -1.72 0.00 0.00 179.24 176.11 2aff s GLU 78 N -4.04 2.02 0.59 3.56 1.03 -1.26 -4.88 118.70 115.72 2aff s GLU 78 Ca -0.02 -1.67 -0.19 0.00 0.03 0.00 0.00 54.97 53.12 2aff s GLU 78 Cb 0.14 -1.94 -0.04 0.00 -0.80 0.00 0.00 34.13 31.49 2aff s GLU 78 CO 0.71 0.25 1.18 -1.25 -1.33 0.00 0.00 175.26 174.82 2aff s PRO 79 N -3.64 3.02 -0.02 -4.83 0.04 -1.26 -4.79 135.00 123.52 2aff s PRO 79 Ca 0.32 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 2aff s PRO 79 Cb -0.03 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2aff s PRO 79 CO 0.18 -1.15 0.06 0.14 0.04 0.00 0.00 177.00 176.27 2aff s VAL 80 N -1.71 0.02 0.10 -0.36 -7.23 -0.94 -4.99 120.40 105.29 2aff s VAL 80 Ca 0.75 -0.15 -0.31 0.00 -1.81 0.00 0.00 61.98 60.47 2aff s VAL 80 Cb -0.28 -0.14 -0.07 0.00 0.56 0.00 0.00 36.38 36.45 2aff s VAL 80 CO 0.33 -0.08 1.34 -0.13 -0.31 0.00 0.00 175.10 176.24 2aff s ARG 81 N -0.22 4.35 0.25 4.82 0.52 -1.26 -1.44 118.95 125.96 2aff s ARG 81 Ca -0.03 1.99 -0.30 0.00 -0.52 0.00 0.00 55.73 56.87 2aff s ARG 81 Cb -0.02 -3.28 -0.09 0.00 0.52 0.00 0.00 34.95 32.08 2aff s ARG 81 CO 0.00 -0.39 0.95 -0.51 0.02 0.00 0.00 175.30 175.37 2aff s LEU 82 N 1.11 4.63 0.07 2.53 1.43 0.21 -4.92 118.68 123.75 2aff s LEU 82 Ca 0.63 1.97 0.04 0.00 -1.03 0.00 0.00 54.13 55.74 2aff s LEU 82 Cb -0.35 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 2aff s LEU 82 CO 0.30 0.13 -0.12 -0.54 0.23 0.00 0.00 176.35 176.35 2aff s LYS 83 N -1.23 0.79 -0.12 1.70 1.02 -1.26 -4.44 119.74 116.20 2aff s LYS 83 Ca 0.42 -0.98 -0.35 0.00 0.02 0.00 0.00 55.97 55.08 2aff s LYS 83 Cb -0.26 -0.70 -0.12 0.00 -0.52 0.00 0.00 37.83 36.23 2aff s LYS 83 CO 0.32 0.14 1.86 1.58 -0.92 0.00 0.00 175.35 178.33 2aff n HIS 84 N 1.13 2.28 0.00 3.18 -0.00 -1.26 -0.67 115.22 119.89 2aff n HIS 84 Ca -0.20 0.09 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 2aff n HIS 84 Cb 0.55 -2.63 0.00 0.00 -0.00 0.00 0.00 29.99 27.91 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 4.37 2.41 3.74 1.57 0.00 -0.75 -4.98 105.19 111.54 2aff n GLY 85 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.57 6.78 -0.11 1.61 1.01 0.16 -4.80 116.67 119.75 2aff s ASP 86 Ca 0.00 2.54 0.00 0.00 0.71 0.00 0.00 52.55 55.81 2aff s ASP 86 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 2aff s ASP 86 CO 0.00 -0.60 -0.13 -0.69 0.21 0.00 0.00 175.17 173.96 2aff s VAL 87 N -0.03 3.13 -0.16 -1.27 1.01 -1.26 -1.81 120.40 120.01 2aff s VAL 87 Ca 0.57 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 2aff s VAL 87 Cb -0.39 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2aff s VAL 87 CO 0.41 0.54 0.06 -0.63 0.00 0.00 0.00 175.10 175.48 2aff s ILE 88 N 0.07 4.80 -0.10 2.22 1.01 -0.95 -1.01 121.20 127.24 2aff s ILE 88 Ca -0.05 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.59 2aff s ILE 88 Cb -0.14 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 39.20 2aff s ILE 88 CO 0.04 0.50 -0.20 -0.89 0.00 0.00 0.00 174.94 174.40 2aff s THR 89 N -0.01 1.78 -0.16 2.92 2.01 0.31 -0.71 115.64 121.78 2aff s THR 89 Ca 0.06 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 2aff s THR 89 Cb -0.12 -1.56 -0.01 0.00 0.01 0.00 0.00 72.50 70.81 2aff s THR 89 CO 0.01 0.50 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.70 2aff s ILE 90 N 0.54 3.07 0.00 1.82 1.01 0.95 -2.24 121.20 126.34 2aff s ILE 90 Ca -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 59.86 2aff s ILE 90 Cb -0.17 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 39.98 2aff s ILE 90 CO 0.05 0.49 0.00 -0.38 0.00 0.00 0.00 174.94 175.11 2aff n ILE 91 N 4.01 0.00 -0.28 2.92 2.08 -1.26 0.34 119.36 127.17 2aff n ILE 91 Ca -0.18 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.16 2aff n ILE 91 Cb 0.52 0.00 0.09 0.00 -0.75 0.00 0.00 39.64 39.50 2aff n ILE 91 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2aff n ASP 92 N 2.19 2.52 -4.25 4.38 5.75 -1.26 -5.00 116.55 120.89 2aff n ASP 92 Ca 0.00 -2.22 -0.28 0.00 -0.01 0.00 0.00 54.79 52.28 2aff n ASP 92 Cb 0.00 -0.18 -0.16 0.00 -1.03 0.00 0.00 41.12 39.76 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2aff s ARG 93 N -1.39 1.76 0.04 0.11 0.52 1.04 -4.46 118.95 116.57 2aff s ARG 93 Ca 0.15 -0.81 0.01 0.00 -0.52 0.00 0.00 55.73 54.57 2aff s ARG 93 Cb 0.10 -1.72 -0.02 0.00 0.52 0.00 0.00 34.95 33.83 2aff s ARG 93 CO 0.06 0.47 -0.06 0.45 0.02 0.00 0.00 175.30 176.24 2aff s SER 94 N -0.58 0.69 -0.14 0.23 0.15 -1.26 0.32 113.70 113.11 2aff s SER 94 Ca 0.09 -0.59 0.01 0.00 0.70 0.00 0.00 55.95 56.16 2aff s SER 94 Cb -0.09 0.06 0.02 0.00 -1.71 0.00 0.00 66.02 64.31 2aff s SER 94 CO -0.01 -0.27 -0.16 -0.36 1.20 0.00 0.00 173.24 173.65 2aff s PHE 95 N -1.67 2.25 0.08 3.44 0.08 0.12 -1.41 117.98 120.87 2aff s PHE 95 Ca -0.09 -1.20 -0.25 0.00 0.12 0.00 0.00 56.93 55.50 2aff s PHE 95 Cb -0.08 -1.61 -0.06 0.00 -0.57 0.00 0.00 43.02 40.69 2aff s PHE 95 CO -0.01 -0.62 0.76 1.03 -0.10 0.00 0.00 175.22 176.28 2aff s ARG 96 N 1.23 4.51 -0.30 0.44 0.52 -0.60 -2.25 118.95 122.51 2aff s ARG 96 Ca 0.00 1.09 -0.17 0.00 -0.52 0.00 0.00 55.73 56.13 2aff s ARG 96 Cb -0.14 -3.33 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 2aff s ARG 96 CO -0.07 0.38 0.45 -0.47 0.02 0.00 0.00 175.30 175.60 2aff s TYR 97 N -0.41 3.23 -0.11 -0.53 5.04 -0.75 -2.20 117.35 121.62 2aff s TYR 97 Ca 0.37 0.35 0.02 0.00 -2.44 0.00 0.00 57.07 55.37 2aff s TYR 97 Cb -0.21 -2.72 0.01 0.00 0.35 0.00 0.00 41.96 39.39 2aff s TYR 97 CO 0.24 -0.35 -0.15 -2.00 -1.34 0.00 0.00 175.55 171.94 2aff s GLU 98 N 2.22 2.18 -0.15 4.97 2.12 -0.54 -1.81 118.70 127.68 2aff s GLU 98 Ca 0.17 -0.55 -0.13 0.00 0.36 0.00 0.00 54.97 54.82 2aff s GLU 98 Cb -0.16 -1.85 -0.05 0.00 0.26 0.00 0.00 34.13 32.33 2aff s GLU 98 CO 0.11 -0.06 0.28 1.21 -0.54 0.00 0.00 175.26 176.26 2aff s ASN 99 N 0.97 6.45 0.00 -1.70 3.84 -1.26 -1.77 114.94 121.46 2aff s ASN 99 Ca -0.07 0.52 0.00 0.00 0.21 0.00 0.00 52.86 53.52 2aff s ASN 99 Cb -0.15 -2.17 0.00 0.00 -0.55 0.00 0.00 41.25 38.38 2aff s ASN 99 CO -0.01 0.14 0.43 1.21 -2.79 0.00 0.00 177.10 176.09