#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aff n THR 4 N 0.00 0.80 -3.79 0.52 -2.24 -1.26 -4.88 114.28 103.44 2aff n THR 4 Ca 0.00 0.11 -0.36 0.00 -2.27 0.00 0.00 64.05 61.53 2aff n THR 4 Cb 0.00 -1.68 -0.07 0.00 -2.10 0.00 0.00 70.33 66.48 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 -2.17 3.83 0.01 -0.78 0.52 -1.26 0.16 118.95 119.27 2aff s ARG 5 Ca -0.08 -0.15 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 2aff s ARG 5 Cb 0.02 -3.31 -0.01 0.00 0.52 0.00 0.00 34.95 32.18 2aff s ARG 5 CO 0.11 0.53 -0.03 1.03 0.02 0.00 0.00 175.30 176.96 2aff s ARG 6 N -0.32 0.25 -0.07 3.54 0.52 -0.35 -1.80 118.95 120.72 2aff s ARG 6 Ca 0.12 -0.35 -0.00 0.00 -0.52 0.00 0.00 55.73 54.98 2aff s ARG 6 Cb -0.12 -0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.26 2aff s ARG 6 CO 0.01 0.01 -0.03 -0.51 0.02 0.00 0.00 175.30 174.80 2aff s LEU 7 N -0.75 3.38 -0.14 2.53 1.43 -0.96 -1.73 118.68 122.43 2aff s LEU 7 Ca -0.07 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 2aff s LEU 7 Cb -0.05 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 2aff s LEU 7 CO -0.00 0.36 -0.10 -0.69 0.23 0.00 0.00 176.35 176.15 2aff s VAL 8 N -0.88 3.31 -0.30 -1.59 1.01 -0.74 0.48 120.40 121.69 2aff s VAL 8 Ca 0.14 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 2aff s VAL 8 Cb -0.11 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 2aff s VAL 8 CO 0.03 0.51 0.49 -0.89 0.00 0.00 0.00 175.10 175.24 2aff s THR 9 N 0.44 5.06 0.24 3.92 2.01 -0.97 -2.00 115.64 124.34 2aff s THR 9 Ca -0.08 0.60 -0.24 0.00 0.31 0.00 0.00 61.69 62.28 2aff s THR 9 Cb -0.15 -3.87 -0.09 0.00 0.01 0.00 0.00 72.50 68.40 2aff s THR 9 CO 0.04 -0.04 0.82 -0.63 -0.69 0.00 0.00 174.62 174.13 2aff s ILE 10 N 2.31 4.37 0.40 1.82 1.01 -1.02 -2.43 121.20 127.65 2aff s ILE 10 Ca 0.19 1.62 0.03 0.00 0.00 0.00 0.00 60.65 62.49 2aff s ILE 10 Cb -0.16 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 2aff s ILE 10 CO 0.11 0.28 0.58 -0.54 0.00 0.00 0.00 174.94 175.38 2aff s LYS 11 N -1.74 3.12 0.52 2.79 1.02 0.05 -4.61 119.74 120.89 2aff s LYS 11 Ca 0.43 -0.67 0.19 0.00 0.02 0.00 0.00 55.97 55.94 2aff s LYS 11 Cb -0.20 -2.67 1.30 0.00 -0.52 0.00 0.00 37.83 35.75 2aff s LYS 11 CO 0.24 -0.10 2.10 0.00 -0.92 0.00 0.00 175.35 176.67 2aff h ARG 12 N 0.62 0.01 0.00 1.68 3.08 -1.87 0.89 114.38 118.79 2aff h ARG 12 Ca -0.46 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2aff h ARG 12 Cb 1.25 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2aff h ARG 12 CO 0.56 0.01 0.00 0.66 -1.07 0.00 0.00 179.97 180.13 2aff h SER 13 N 0.01 0.00 0.00 7.04 4.64 -1.97 -3.46 113.55 119.81 2aff h SER 13 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2aff h SER 13 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2aff h SER 13 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2aff n GLY 14 N 0.43 1.00 3.52 -0.77 0.00 0.31 -5.09 105.19 104.59 2aff n GLY 14 Ca 0.03 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2aff n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aff s VAL 15 N -2.00 3.43 0.37 1.61 -7.23 -1.25 -4.82 120.40 110.50 2aff s VAL 15 Ca 0.00 -0.58 -0.24 0.00 -1.81 0.00 0.00 61.98 59.36 2aff s VAL 15 Cb 0.00 -2.39 -0.10 0.00 0.56 0.00 0.00 36.38 34.45 2aff s VAL 15 CO 0.00 0.59 0.94 1.51 -0.31 0.00 0.00 175.10 177.82 2aff s ASP 16 N -0.63 7.16 0.00 4.85 -4.77 -1.26 -0.77 116.67 121.23 2aff s ASP 16 Ca 0.09 1.76 0.00 0.00 -3.30 0.00 0.00 52.55 51.10 2aff s ASP 16 Cb -0.11 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 2aff s ASP 16 CO 0.01 -0.19 0.00 0.61 0.70 0.00 0.00 175.17 176.30 2aff n GLY 17 N 0.04 2.15 3.78 2.12 0.00 -1.02 -4.92 105.19 107.33 2aff n GLY 17 Ca 0.04 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 1.61 4.01 0.16 1.61 0.04 -1.26 -4.83 135.00 136.33 2aff s PRO 18 Ca 0.00 1.53 0.08 0.00 0.04 0.00 0.00 61.00 62.65 2aff s PRO 18 Cb 0.00 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 2aff s PRO 18 CO 0.00 -0.28 -0.07 -3.38 0.04 0.00 0.00 177.00 173.31 2aff s HIS 19 N -1.70 2.72 -0.57 0.56 -3.43 -1.26 -2.28 115.29 109.32 2aff s HIS 19 Ca 0.61 -0.18 0.02 0.00 -0.80 0.00 0.00 55.06 54.71 2aff s HIS 19 Cb -0.22 -1.35 0.14 0.00 -1.43 0.00 0.00 32.58 29.72 2aff s HIS 19 CO 0.27 0.49 0.34 0.12 -2.00 0.00 0.00 174.74 173.97 2aff s PHE 20 N -1.57 3.29 0.24 0.38 5.36 0.18 -4.96 117.98 120.89 2aff s PHE 20 Ca 0.25 -3.05 -0.31 0.00 -0.96 0.00 0.00 56.93 52.85 2aff s PHE 20 Cb -0.10 -2.94 -0.11 0.00 -0.34 0.00 0.00 43.02 39.54 2aff s PHE 20 CO 0.16 -0.76 1.62 -2.14 -1.46 0.00 0.00 175.22 172.64 2aff s PRO 21 N -0.34 4.15 -1.17 10.12 0.02 -1.26 -2.25 135.00 144.27 2aff s PRO 21 Ca 0.18 2.54 -0.16 0.00 0.02 0.00 0.00 61.00 63.58 2aff s PRO 21 Cb -0.22 -3.07 0.15 0.00 0.02 0.00 0.00 34.50 31.38 2aff s PRO 21 CO -0.02 -0.65 1.42 -0.51 -0.33 0.00 0.00 177.00 176.91 2aff s LEU 22 N 0.32 4.83 0.03 -5.54 1.43 -0.74 -4.67 118.68 114.34 2aff s LEU 22 Ca 0.68 -2.70 0.26 0.00 -1.03 0.00 0.00 54.13 51.34 2aff s LEU 22 Cb -0.47 -2.43 0.68 0.00 0.03 0.00 0.00 46.19 44.00 2aff s LEU 22 CO 0.40 -0.89 1.55 -1.54 0.23 0.00 0.00 176.35 176.10 2aff n SER 23 N 6.30 0.42 -4.84 2.29 3.41 -1.26 -4.70 113.62 115.23 2aff n SER 23 Ca 0.36 0.06 -0.34 0.00 -0.26 0.00 0.00 58.87 58.68 2aff n SER 23 Cb 0.45 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.32 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 -3.30 4.16 0.55 1.04 1.43 -1.26 -4.99 118.68 116.31 2aff s LEU 24 Ca 0.11 0.30 0.33 0.00 -1.03 0.00 0.00 54.13 53.84 2aff s LEU 24 Cb 0.17 -2.32 1.51 0.00 0.03 0.00 0.00 46.19 45.58 2aff s LEU 24 CO 0.65 0.31 2.05 0.28 0.23 0.00 0.00 176.35 179.87 2aff h SER 25 N 4.27 0.00 -3.70 2.29 0.02 -1.90 -3.42 113.55 111.11 2aff h SER 25 Ca -0.50 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 59.91 2aff h SER 25 Cb 1.20 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.42 2aff h SER 25 CO 0.63 0.05 -0.82 -0.89 -1.14 0.00 0.00 176.83 174.65 2aff s THR 26 N -3.82 1.27 -0.10 -2.27 2.01 -1.26 -0.63 115.64 110.83 2aff s THR 26 Ca -0.01 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.40 2aff s THR 26 Cb 0.10 -1.12 0.02 0.00 0.01 0.00 0.00 72.50 71.52 2aff s THR 26 CO 0.54 0.38 -0.08 0.00 -0.69 0.00 0.00 174.62 174.76 2aff s LEU 28 N 1.50 2.29 -0.03 0.00 2.96 -1.26 -0.37 118.68 123.78 2aff s LEU 28 Ca 0.01 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 2aff s LEU 28 Cb -0.13 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2aff s LEU 28 CO -0.06 0.20 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.75 2aff s PHE 29 N 0.09 2.92 -5.00 5.38 0.40 0.19 -0.15 117.98 121.81 2aff s PHE 29 Ca -0.10 -0.00 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 2aff s PHE 29 Cb -0.16 -1.66 0.00 0.00 0.51 0.00 0.00 43.02 41.72 2aff s PHE 29 CO 0.06 0.36 0.00 0.41 0.70 0.00 0.00 175.22 176.75 2aff n GLY 30 N 1.83 -0.69 0.10 4.36 0.00 -0.69 -1.94 105.19 108.15 2aff n GLY 30 Ca -0.16 -1.61 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 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 3.34 0.11 -6.43 1.61 3.08 -1.21 -3.00 114.38 111.88 2aff h ARG 31 Ca 0.00 -0.14 -0.59 0.00 0.07 0.00 0.00 59.98 59.32 2aff h ARG 31 Cb 0.00 0.05 0.17 0.00 0.08 0.00 0.00 29.97 30.26 2aff h ARG 31 CO 0.00 0.97 -0.47 0.41 -1.07 0.00 0.00 179.97 179.81 2aff n GLY 32 N 1.08 -1.66 0.26 0.04 0.00 -0.92 -4.86 105.19 99.13 2aff n GLY 32 Ca -0.03 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 0.30 1.28 -0.10 -0.61 6.09 -1.90 -2.21 117.51 120.37 2aff h ILE 33 Ca -0.44 -1.38 0.03 0.00 -1.37 0.00 0.00 64.86 61.69 2aff h ILE 33 Cb 1.40 1.27 -0.00 0.00 0.47 0.00 0.00 36.82 39.96 2aff h ILE 33 CO 0.47 0.47 0.27 -0.33 -3.07 0.00 0.00 178.15 175.96 2aff h GLU 34 N 0.71 0.00 -6.08 2.19 4.39 -1.95 -3.40 114.58 110.44 2aff h GLU 34 Ca 0.09 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.19 2aff h GLU 34 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2aff h GLU 34 CO 0.07 0.00 1.38 0.00 -1.16 0.00 0.00 179.01 179.30 2aff h ASP 36 N 13.01 0.00 -3.53 0.00 3.32 -0.76 -3.34 116.42 125.11 2aff h ASP 36 Ca -0.41 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.00 2aff h ASP 36 Cb 1.26 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.44 2aff h ASP 36 CO 0.97 0.00 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.05 2aff s ILE 37 N -4.75 1.86 -0.16 0.35 -1.09 0.60 -4.93 121.20 113.08 2aff s ILE 37 Ca -0.05 -1.22 -0.12 0.00 -2.23 0.00 0.00 60.65 57.03 2aff s ILE 37 Cb 0.16 -1.93 -0.05 0.00 -1.58 0.00 0.00 42.46 39.06 2aff s ILE 37 CO 0.59 0.13 0.22 -0.13 -1.23 0.00 0.00 174.94 174.52 2aff s ARG 38 N 1.28 4.12 -0.10 2.79 0.52 -1.25 -1.70 118.95 124.61 2aff s ARG 38 Ca -0.03 -0.04 0.03 0.00 -0.52 0.00 0.00 55.73 55.17 2aff s ARG 38 Cb -0.17 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 31.90 2aff s ARG 38 CO -0.08 0.35 -0.21 0.42 0.02 0.00 0.00 175.30 175.80 2aff s ILE 39 N 0.18 2.37 0.00 1.52 1.01 -1.13 -4.95 121.20 120.20 2aff s ILE 39 Ca 0.13 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.86 2aff s ILE 39 Cb -0.12 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.42 2aff s ILE 39 CO 0.02 0.55 1.23 0.00 0.00 0.00 0.00 174.94 176.74 2aff n GLN 40 N 3.38 0.99 -3.53 2.79 6.02 -1.26 -4.54 117.38 121.24 2aff n GLN 40 Ca -0.18 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.43 2aff n GLN 40 Cb 0.53 -1.01 -0.10 0.00 1.02 0.00 0.00 30.24 30.68 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 4.06 0.16 1.08 1.43 -1.26 -4.95 118.68 119.19 2aff s LEU 41 Ca 0.00 0.15 0.22 0.00 -1.03 0.00 0.00 54.13 53.47 2aff s LEU 41 Cb 0.00 -2.24 0.88 0.00 0.03 0.00 0.00 46.19 44.86 2aff s LEU 41 CO 0.00 -0.07 1.67 -0.81 0.23 0.00 0.00 176.35 177.38 2aff n PRO 42 N 4.92 0.13 -0.24 1.29 -0.04 -1.26 -2.29 135.00 137.51 2aff n PRO 42 Ca -0.12 0.31 0.10 0.00 -0.04 0.00 0.00 63.50 63.75 2aff n PRO 42 Cb 0.52 -1.73 0.27 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.98 0.63 -4.00 0.52 0.24 -1.26 -4.91 118.33 107.57 2aff n VAL 43 Ca 0.03 -0.72 -0.35 0.00 -2.04 0.00 0.00 64.34 61.27 2aff n VAL 43 Cb 0.25 0.57 -0.06 0.00 -1.47 0.00 0.00 33.84 33.13 2aff n VAL 43 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2aff s VAL 44 N -1.37 5.17 0.98 3.34 0.11 -0.97 -4.89 120.40 122.76 2aff s VAL 44 Ca 0.39 -0.06 -0.13 0.00 -2.93 0.00 0.00 61.98 59.24 2aff s VAL 44 Cb 0.21 -3.30 0.18 0.00 -1.53 0.00 0.00 36.38 31.93 2aff s VAL 44 CO 0.28 0.50 1.11 -0.44 -3.33 0.00 0.00 175.10 173.22 2aff s SER 45 N -1.36 2.84 0.19 3.54 0.01 -1.26 -4.66 113.70 113.00 2aff s SER 45 Ca 0.19 1.05 -0.10 0.00 1.31 0.00 0.00 55.95 58.40 2aff s SER 45 Cb -0.12 -1.66 0.10 0.00 0.21 0.00 0.00 66.02 64.56 2aff s SER 45 CO 0.09 -2.98 1.73 0.11 0.41 0.00 0.00 173.24 172.60 2aff h LYS 46 N -1.79 1.04 -0.00 12.44 1.57 -1.93 -2.64 116.57 125.26 2aff h LYS 46 Ca -0.53 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.04 2aff h LYS 46 Cb 1.33 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2aff h LYS 46 CO 0.58 0.89 -0.55 1.04 -0.57 0.00 0.00 179.45 180.85 2aff n GLN 47 N -4.34 3.12 0.00 3.15 6.02 -1.26 -2.16 117.38 121.91 2aff n GLN 47 Ca 0.05 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2aff n GLN 47 Cb 0.21 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.41 2aff n GLN 47 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2aff n HIS 48 N -1.26 0.00 -4.31 1.08 -0.00 -0.82 -3.85 115.22 106.06 2aff n HIS 48 Ca 0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.55 2aff n HIS 48 Cb 0.18 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.02 2aff n HIS 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2aff s LYS 50 N 0.08 2.35 -0.09 0.00 2.20 0.78 0.53 119.74 125.59 2aff s LYS 50 Ca -0.01 -0.69 0.03 0.00 -0.36 0.00 0.00 55.97 54.94 2aff s LYS 50 Cb -0.06 -1.88 -0.01 0.00 -1.51 0.00 0.00 37.83 34.37 2aff s LYS 50 CO -0.00 0.17 -0.17 0.42 -0.36 0.00 0.00 175.35 175.41 2aff s ILE 51 N 0.33 2.73 -0.15 5.43 1.01 0.51 0.14 121.20 131.20 2aff s ILE 51 Ca -0.13 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.73 2aff s ILE 51 Cb -0.16 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.23 2aff s ILE 51 CO 0.06 0.55 -0.18 -1.61 0.00 0.00 0.00 174.94 173.76 2aff s GLU 52 N -0.02 3.14 -0.30 2.79 2.02 0.12 -2.11 118.70 124.34 2aff s GLU 52 Ca -0.05 -0.79 -0.10 0.00 0.02 0.00 0.00 54.97 54.04 2aff s GLU 52 Cb -0.14 -2.54 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 2aff s GLU 52 CO 0.04 0.02 0.16 0.42 0.02 0.00 0.00 175.26 175.93 2aff s ILE 53 N 0.78 4.77 -0.09 -1.63 1.01 0.20 0.55 121.20 126.78 2aff s ILE 53 Ca -0.07 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.30 2aff s ILE 53 Cb -0.16 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 2aff s ILE 53 CO -0.00 0.11 -0.09 -1.00 0.00 0.00 0.00 174.94 173.95 2aff s HIS 54 N 1.65 2.88 0.59 3.97 3.76 0.11 -4.90 115.29 123.35 2aff s HIS 54 Ca 0.05 -0.22 0.33 0.00 -0.15 0.00 0.00 55.06 55.07 2aff s HIS 54 Cb -0.17 -1.77 1.19 0.00 1.11 0.00 0.00 32.58 32.94 2aff s HIS 54 CO 0.07 0.11 1.44 0.93 -0.85 0.00 0.00 174.74 176.44 2aff h GLU 55 N 5.87 0.00 0.09 1.40 4.39 -2.01 0.48 114.58 124.79 2aff h GLU 55 Ca -0.40 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.30 2aff h GLU 55 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2aff h GLU 55 CO 0.55 0.00 -0.04 1.96 -1.16 0.00 0.00 179.01 180.32 2aff h GLN 56 N 0.00 -0.11 0.00 2.33 4.20 -2.01 -3.49 115.11 116.03 2aff h GLN 56 Ca 0.58 0.01 -0.20 0.00 0.06 0.00 0.00 58.65 59.10 2aff h GLN 56 Cb 2.96 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 30.72 2aff h GLN 56 CO -0.01 -0.07 -0.05 -1.91 -0.67 0.00 0.00 178.83 176.12 2aff n GLU 57 N -2.48 0.68 -3.88 1.46 4.07 0.17 -5.15 120.64 115.51 2aff n GLU 57 Ca -0.01 -2.30 -0.35 0.00 -0.06 0.00 0.00 57.16 54.43 2aff n GLU 57 Cb 0.05 2.33 -0.09 0.00 -0.06 0.00 0.00 31.44 33.66 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 -2.47 3.49 -0.17 4.31 0.00 -1.26 0.07 121.76 125.73 2aff s ALA 58 Ca 0.23 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 2aff s ALA 58 Cb -0.02 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 2aff s ALA 58 CO 0.16 0.08 -0.07 0.42 0.00 0.00 0.00 175.76 176.35 2aff s ILE 59 N 0.53 3.40 -0.24 0.00 -1.09 0.19 -0.77 121.20 123.23 2aff s ILE 59 Ca 0.05 -0.52 -0.10 0.00 -2.23 0.00 0.00 60.65 57.86 2aff s ILE 59 Cb -0.12 -2.49 -0.05 0.00 -1.58 0.00 0.00 42.46 38.22 2aff s ILE 59 CO 0.00 0.48 0.14 -0.22 -1.23 0.00 0.00 174.94 174.11 2aff s LEU 60 N 0.74 3.96 -0.07 2.97 2.96 -0.02 0.14 118.68 129.36 2aff s LEU 60 Ca -0.03 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 2aff s LEU 60 Cb -0.15 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 2aff s LEU 60 CO 0.02 0.05 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.95 2aff s HIS 61 N 1.15 2.70 -0.41 5.38 3.76 0.38 -1.27 115.29 126.97 2aff s HIS 61 Ca 0.07 -0.34 -0.13 0.00 -0.15 0.00 0.00 55.06 54.51 2aff s HIS 61 Cb -0.14 -1.68 0.04 0.00 1.11 0.00 0.00 32.58 31.92 2aff s HIS 61 CO 0.05 0.04 0.29 1.21 -0.85 0.00 0.00 174.74 175.48 2aff s ASN 62 N -0.40 5.94 0.00 1.40 3.84 -1.26 -0.16 114.94 124.30 2aff s ASN 62 Ca 0.04 -1.11 0.25 0.00 0.21 0.00 0.00 52.86 52.26 2aff s ASN 62 Cb -0.12 -2.10 0.52 0.00 -0.55 0.00 0.00 41.25 39.00 2aff s ASN 62 CO 0.02 -0.49 1.43 0.49 -2.79 0.00 0.00 177.10 175.76 2aff n PHE 63 N 5.09 0.00 -2.64 0.43 3.01 0.25 -4.80 117.46 118.80 2aff n PHE 63 Ca -0.11 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.93 2aff n PHE 63 Cb 0.45 -0.04 -0.03 0.00 -0.01 0.00 0.00 39.48 39.85 2aff n PHE 63 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2aff s SER 64 N -2.30 6.20 0.27 4.37 0.15 0.05 -4.61 113.70 117.84 2aff s SER 64 Ca 0.26 -0.52 0.24 0.00 0.70 0.00 0.00 55.95 56.64 2aff s SER 64 Cb 0.19 -2.52 0.47 0.00 -1.71 0.00 0.00 66.02 62.45 2aff s SER 64 CO 0.46 -1.67 1.55 0.28 1.20 0.00 0.00 173.24 175.05 2aff h SER 65 N 9.83 0.00 0.34 5.45 0.02 -1.90 -3.22 113.55 124.07 2aff h SER 65 Ca -0.28 -0.04 -0.32 0.00 -0.84 0.00 0.00 61.79 60.31 2aff h SER 65 Cb 1.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 2aff h SER 65 CO 1.24 0.02 -1.73 0.74 -1.14 0.00 0.00 176.83 175.96 2aff h THR 66 N 0.00 0.91 -2.26 -2.27 2.02 -1.98 -3.44 112.91 105.88 2aff h THR 66 Ca 0.00 -2.61 -0.36 0.00 0.77 0.00 0.00 66.41 64.21 2aff h THR 66 Cb 0.86 2.61 -0.34 0.00 -1.74 0.00 0.00 68.15 69.53 2aff h THR 66 CO 0.00 0.78 -0.66 0.20 0.37 0.00 0.00 175.52 176.21 2aff s ASN 67 N -6.83 1.93 0.47 4.18 0.01 -1.24 -5.14 114.94 108.32 2aff s ASN 67 Ca -0.13 -0.80 -0.24 0.00 -0.71 0.00 0.00 52.86 50.98 2aff s ASN 67 Cb 0.07 0.38 -0.08 0.00 0.41 0.00 0.00 41.25 42.03 2aff s ASN 67 CO 0.82 -0.39 1.29 -2.65 -1.51 0.00 0.00 177.10 174.66 2aff n PRO 68 N 5.30 1.83 -2.25 -0.60 -0.02 -1.22 -4.65 135.00 133.40 2aff n PRO 68 Ca -0.03 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 2aff n PRO 68 Cb 0.46 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 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 -1.25 3.28 -0.03 3.45 2.01 -1.26 -4.81 115.64 117.04 2aff s THR 69 Ca 0.65 1.06 -0.11 0.00 0.31 0.00 0.00 61.69 63.60 2aff s THR 69 Cb -0.47 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 2aff s THR 69 CO 0.55 0.16 0.30 -1.10 -0.69 0.00 0.00 174.62 173.84 2aff s GLN 70 N -0.15 3.70 -0.03 4.92 -0.21 -0.57 -2.25 119.66 125.07 2aff s GLN 70 Ca 0.56 0.15 0.02 0.00 0.02 0.00 0.00 55.36 56.11 2aff s GLN 70 Cb -0.36 -3.17 0.01 0.00 1.00 0.00 0.00 33.01 30.49 2aff s GLN 70 CO 0.38 0.70 -0.06 0.08 -2.12 0.00 0.00 175.29 174.27 2aff s VAL 71 N -1.12 0.56 -1.27 1.09 1.01 0.53 0.18 120.40 121.37 2aff s VAL 71 Ca 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 2aff s VAL 71 Cb -0.14 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.72 2aff s VAL 71 CO 0.11 0.20 0.19 0.59 0.00 0.00 0.00 175.10 176.19 2aff n ASN 72 N 3.55 -4.45 -0.72 3.32 3.02 -0.64 0.28 115.26 119.62 2aff n ASN 72 Ca -0.20 -0.02 -0.07 0.00 -0.03 0.00 0.00 54.58 54.25 2aff n ASN 72 Cb 0.54 -3.72 -0.02 0.00 -0.61 0.00 0.00 39.78 35.97 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 -1.01 0.45 2.97 7.41 0.00 -1.26 -5.03 105.19 108.71 2aff n GLY 73 Ca -0.13 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.78 0.02 0.24 1.61 0.15 0.14 -5.09 113.70 107.99 2aff s SER 74 Ca 0.00 -0.06 -0.30 0.00 0.70 0.00 0.00 55.95 56.29 2aff s SER 74 Cb 0.00 0.13 -0.09 0.00 -1.71 0.00 0.00 66.02 64.35 2aff s SER 74 CO 0.00 -0.13 1.04 0.68 1.20 0.00 0.00 173.24 176.03 2aff s VAL 75 N -0.49 3.79 -0.45 4.45 -7.23 -1.26 0.20 120.40 119.40 2aff s VAL 75 Ca -0.06 1.74 -0.12 0.00 -1.81 0.00 0.00 61.98 61.74 2aff s VAL 75 Cb -0.04 -4.11 0.09 0.00 0.56 0.00 0.00 36.38 32.88 2aff s VAL 75 CO 0.00 0.39 0.33 0.27 -0.31 0.00 0.00 175.10 175.78 2aff s ILE 76 N -0.98 4.62 0.31 -0.62 -4.36 -0.96 -4.91 121.20 114.31 2aff s ILE 76 Ca 0.44 -1.34 0.02 0.00 -0.26 0.00 0.00 60.65 59.50 2aff s ILE 76 Cb -0.29 -3.84 0.17 0.00 1.25 0.00 0.00 42.46 39.75 2aff s ILE 76 CO 0.37 -0.59 1.87 0.44 0.24 0.00 0.00 174.94 177.27 2aff h ASP 77 N 8.56 0.65 -2.00 4.36 3.32 -1.95 -3.44 116.42 125.92 2aff h ASP 77 Ca -0.25 -0.10 -0.61 0.00 0.02 0.00 0.00 57.03 56.09 2aff h ASP 77 Cb 1.09 -0.17 -0.13 0.00 0.22 0.00 0.00 39.33 40.34 2aff h ASP 77 CO 0.83 0.64 -0.52 -1.61 -1.72 0.00 0.00 179.24 176.87 2aff s GLU 78 N -5.19 2.04 0.45 3.56 0.41 -1.26 -4.98 118.70 113.72 2aff s GLU 78 Ca -0.09 -2.27 -0.25 0.00 -0.41 0.00 0.00 54.97 51.95 2aff s GLU 78 Cb 0.16 -1.00 -0.08 0.00 -1.78 0.00 0.00 34.13 31.42 2aff s GLU 78 CO 0.78 -0.42 1.44 -2.14 -0.49 0.00 0.00 175.26 174.42 2aff s PRO 79 N -3.78 3.70 -0.01 0.39 0.02 -1.26 -4.77 135.00 129.29 2aff s PRO 79 Ca 0.17 2.44 0.03 0.00 0.02 0.00 0.00 61.00 63.65 2aff s PRO 79 Cb 0.02 -2.67 -0.00 0.00 0.02 0.00 0.00 34.50 31.87 2aff s PRO 79 CO 0.10 -0.81 -0.09 0.08 -0.33 0.00 0.00 177.00 175.95 2aff s VAL 80 N -1.19 0.74 0.11 3.83 1.01 -0.40 -4.98 120.40 119.52 2aff s VAL 80 Ca 0.61 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 2aff s VAL 80 Cb -0.44 -0.64 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 2aff s VAL 80 CO 0.57 0.22 1.13 -0.13 0.00 0.00 0.00 175.10 176.89 2aff s ARG 81 N -0.04 4.52 0.06 2.72 0.52 -1.26 -0.84 118.95 124.63 2aff s ARG 81 Ca 0.01 1.71 -0.22 0.00 -0.52 0.00 0.00 55.73 56.71 2aff s ARG 81 Cb -0.06 -3.32 -0.06 0.00 0.52 0.00 0.00 34.95 32.03 2aff s ARG 81 CO -0.00 -0.08 0.65 -0.51 0.02 0.00 0.00 175.30 175.38 2aff s LEU 82 N 0.36 4.49 0.12 2.53 1.43 0.05 -4.91 118.68 122.74 2aff s LEU 82 Ca 0.54 1.33 0.08 0.00 -1.03 0.00 0.00 54.13 55.04 2aff s LEU 82 Cb -0.29 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 2aff s LEU 82 CO 0.32 0.15 -0.19 -0.75 0.23 0.00 0.00 176.35 176.12 2aff s LYS 83 N -0.59 1.13 -0.02 1.70 2.20 -1.26 -4.43 119.74 118.46 2aff s LYS 83 Ca 0.33 -1.22 -0.34 0.00 -0.36 0.00 0.00 55.97 54.38 2aff s LYS 83 Cb -0.20 -1.27 -0.12 0.00 -1.51 0.00 0.00 37.83 34.73 2aff s LYS 83 CO 0.20 0.28 1.79 1.58 -0.36 0.00 0.00 175.35 178.85 2aff n HIS 84 N 0.84 2.31 0.00 4.03 -0.00 -1.26 -0.59 115.22 120.55 2aff n HIS 84 Ca -0.18 0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.62 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 4.11 1.23 3.76 1.57 0.00 -0.89 -4.97 105.19 109.99 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 -1.73 7.02 -0.10 1.61 1.01 0.25 -4.83 116.67 119.90 2aff s ASP 86 Ca 0.00 2.45 0.00 0.00 0.71 0.00 0.00 52.55 55.71 2aff s ASP 86 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 2aff s ASP 86 CO 0.00 -0.36 -0.09 0.54 0.21 0.00 0.00 175.17 175.47 2aff s VAL 87 N -0.94 3.47 -0.20 -1.27 0.11 -1.26 -2.20 120.40 118.11 2aff s VAL 87 Ca 0.48 -0.54 -0.08 0.00 -2.93 0.00 0.00 61.98 58.90 2aff s VAL 87 Cb -0.36 -2.44 -0.04 0.00 -1.53 0.00 0.00 36.38 32.01 2aff s VAL 87 CO 0.45 0.56 0.09 -0.63 -3.33 0.00 0.00 175.10 172.24 2aff s ILE 88 N -0.31 5.00 -0.12 7.04 1.01 -0.78 -1.62 121.20 131.41 2aff s ILE 88 Ca 0.04 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.75 2aff s ILE 88 Cb -0.13 -3.27 0.01 0.00 0.01 0.00 0.00 42.46 39.08 2aff s ILE 88 CO 0.02 0.44 -0.17 -0.89 0.00 0.00 0.00 174.94 174.34 2aff s THR 89 N 0.49 1.64 -0.20 2.92 2.01 0.47 -0.41 115.64 122.57 2aff s THR 89 Ca 0.05 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 2aff s THR 89 Cb -0.12 -1.48 -0.00 0.00 0.01 0.00 0.00 72.50 70.90 2aff s THR 89 CO 0.00 0.47 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.68 2aff s ILE 90 N 0.97 3.04 0.00 1.82 1.01 0.89 -1.51 121.20 127.41 2aff s ILE 90 Ca -0.06 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2aff s ILE 90 Cb -0.15 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 39.97 2aff s ILE 90 CO -0.02 0.46 0.00 -0.38 0.00 0.00 0.00 174.94 175.00 2aff n ILE 91 N 4.55 0.00 0.00 2.92 5.41 -1.26 0.42 119.36 131.40 2aff n ILE 91 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2aff n ILE 91 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 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 0.00 0.00 -4.21 4.38 -0.08 -1.26 -4.96 116.55 110.42 2aff n ASP 92 Ca 0.00 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.96 2aff n ASP 92 Cb 0.00 -0.05 -0.17 0.00 2.34 0.00 0.00 41.12 43.24 2aff n ASP 92 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2aff s ARG 93 N 0.00 2.99 0.06 -0.67 6.06 1.43 -4.82 118.95 124.00 2aff s ARG 93 Ca 0.00 -0.86 0.03 0.00 -2.50 0.00 0.00 55.73 52.40 2aff s ARG 93 Cb 0.00 -2.27 -0.03 0.00 0.06 0.00 0.00 34.95 32.72 2aff s ARG 93 CO 0.00 0.18 -0.09 -1.12 -2.50 0.00 0.00 175.30 171.77 2aff s SER 94 N 0.34 1.10 -0.16 -2.12 0.01 -1.26 0.30 113.70 111.92 2aff s SER 94 Ca -0.19 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.47 2aff s SER 94 Cb -0.18 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.09 2aff s SER 94 CO 0.09 -0.20 -0.17 -0.36 0.41 0.00 0.00 173.24 173.01 2aff s PHE 95 N -1.60 2.41 0.01 2.43 0.40 0.45 -2.43 117.98 119.66 2aff s PHE 95 Ca -0.06 -1.36 -0.22 0.00 -0.60 0.00 0.00 56.93 54.70 2aff s PHE 95 Cb -0.08 -1.71 -0.05 0.00 0.51 0.00 0.00 43.02 41.68 2aff s PHE 95 CO 0.00 -0.70 0.64 0.50 0.70 0.00 0.00 175.22 176.36 2aff s ARG 96 N 1.33 4.36 -0.23 0.44 3.52 -0.85 -1.87 118.95 125.65 2aff s ARG 96 Ca 0.03 0.81 -0.13 0.00 -0.13 0.00 0.00 55.73 56.31 2aff s ARG 96 Cb -0.13 -3.35 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 2aff s ARG 96 CO -0.10 0.35 0.30 -0.47 -0.81 0.00 0.00 175.30 174.57 2aff s TYR 97 N -0.17 3.32 -0.14 5.12 5.04 -0.93 -1.79 117.35 127.79 2aff s TYR 97 Ca 0.33 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 2aff s TYR 97 Cb -0.19 -2.44 0.02 0.00 0.35 0.00 0.00 41.96 39.71 2aff s TYR 97 CO 0.19 -0.03 -0.13 -1.21 -1.34 0.00 0.00 175.55 173.02 2aff s GLU 98 N 1.39 2.21 -0.39 4.97 2.02 -0.71 -2.10 118.70 126.09 2aff s GLU 98 Ca 0.13 -0.52 -0.12 0.00 0.02 0.00 0.00 54.97 54.48 2aff s GLU 98 Cb -0.15 -2.04 0.03 0.00 0.10 0.00 0.00 34.13 32.08 2aff s GLU 98 CO 0.07 -0.23 0.25 1.21 0.02 0.00 0.00 175.26 176.58 2aff s ASN 99 N 1.49 5.86 0.00 -0.19 3.84 -1.26 -1.21 114.94 123.47 2aff s ASN 99 Ca 0.04 -1.02 0.00 0.00 0.21 0.00 0.00 52.86 52.09 2aff s ASN 99 Cb -0.13 -2.07 0.00 0.00 -0.55 0.00 0.00 41.25 38.50 2aff s ASN 99 CO -0.10 -0.43 0.00 1.21 -2.79 0.00 0.00 177.10 174.99