#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 1.40 -3.40 0.52 -2.24 -1.26 -4.95 114.28 104.36 2aff n THR 4 Ca 0.00 -0.34 -0.37 0.00 -2.27 0.00 0.00 64.05 61.06 2aff n THR 4 Cb 0.00 -1.86 -0.07 0.00 -2.10 0.00 0.00 70.33 66.30 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 -2.48 4.28 -0.02 -0.78 0.52 -1.26 -2.26 118.95 116.95 2aff s ARG 5 Ca -0.35 0.29 0.05 0.00 -0.52 0.00 0.00 55.73 55.19 2aff s ARG 5 Cb 0.13 -3.46 -0.01 0.00 0.52 0.00 0.00 34.95 32.13 2aff s ARG 5 CO 0.45 0.13 -0.17 1.03 0.02 0.00 0.00 175.30 176.76 2aff s ARG 6 N 0.76 1.43 -0.11 3.54 0.52 -0.41 -2.12 118.95 122.55 2aff s ARG 6 Ca 0.22 -0.60 -0.00 0.00 -0.52 0.00 0.00 55.73 54.82 2aff s ARG 6 Cb -0.14 -1.35 -0.02 0.00 0.52 0.00 0.00 34.95 33.95 2aff s ARG 6 CO 0.08 0.34 -0.10 -1.17 0.02 0.00 0.00 175.30 174.46 2aff s LEU 7 N -0.31 2.90 -0.16 2.53 2.96 -0.88 -1.87 118.68 123.84 2aff s LEU 7 Ca 0.05 -0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 53.70 2aff s LEU 7 Cb -0.07 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2aff s LEU 7 CO -0.00 0.22 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.52 2aff s VAL 8 N 0.03 3.83 -0.42 1.68 1.01 -0.81 0.54 120.40 126.26 2aff s VAL 8 Ca -0.03 -0.38 -0.24 0.00 0.00 0.00 0.00 61.98 61.33 2aff s VAL 8 Cb -0.14 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.59 2aff s VAL 8 CO 0.04 0.49 0.86 -0.89 0.00 0.00 0.00 175.10 175.60 2aff s THR 9 N 0.39 4.60 0.28 3.92 2.01 -0.82 -1.89 115.64 124.14 2aff s THR 9 Ca -0.04 0.79 -0.27 0.00 0.31 0.00 0.00 61.69 62.47 2aff s THR 9 Cb -0.14 -4.33 -0.09 0.00 0.01 0.00 0.00 72.50 67.94 2aff s THR 9 CO 0.03 -0.65 0.93 -0.63 -0.69 0.00 0.00 174.62 173.61 2aff s ILE 10 N 3.43 4.19 0.34 1.82 1.01 -0.85 -2.31 121.20 128.84 2aff s ILE 10 Ca 0.34 1.88 -0.01 0.00 0.00 0.00 0.00 60.65 62.87 2aff s ILE 10 Cb -0.12 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2aff s ILE 10 CO 0.22 0.28 0.56 -0.54 0.00 0.00 0.00 174.94 175.46 2aff s LYS 11 N -1.73 3.51 0.52 2.79 1.02 0.30 -4.45 119.74 121.71 2aff s LYS 11 Ca 0.46 -0.24 0.18 0.00 0.02 0.00 0.00 55.97 56.39 2aff s LYS 11 Cb -0.21 -2.64 1.31 0.00 -0.52 0.00 0.00 37.83 35.77 2aff s LYS 11 CO 0.26 0.14 2.13 0.00 -0.92 0.00 0.00 175.35 176.96 2aff h ARG 12 N 0.89 0.00 0.00 1.68 3.08 -1.88 0.38 114.38 118.54 2aff h ARG 12 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2aff h ARG 12 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2aff h ARG 12 CO 0.62 0.00 0.00 0.77 -1.07 0.00 0.00 179.97 180.29 2aff h SER 13 N 0.00 0.00 -0.04 7.04 0.02 -1.95 -3.46 113.55 115.16 2aff h SER 13 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2aff h SER 13 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2aff h SER 13 CO -0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2aff n GLY 14 N 0.71 1.54 3.24 -3.77 0.00 0.13 -5.10 105.19 101.94 2aff n GLY 14 Ca 0.04 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.04 2.12 0.26 1.61 1.01 -1.24 -4.84 120.40 117.28 2aff s VAL 15 Ca 0.00 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 2aff s VAL 15 Cb 0.00 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.49 2aff s VAL 15 CO 0.00 0.56 1.09 -1.81 0.00 0.00 0.00 175.10 174.94 2aff s ASP 16 N 0.23 7.30 0.00 3.32 1.01 -1.26 -0.54 116.67 126.73 2aff s ASP 16 Ca -0.15 2.22 0.00 0.00 0.71 0.00 0.00 52.55 55.33 2aff s ASP 16 Cb -0.17 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.14 2aff s ASP 16 CO 0.08 -0.13 0.00 0.61 0.21 0.00 0.00 175.17 175.94 2aff n GLY 17 N 1.34 3.04 3.78 0.21 0.00 -0.98 -4.94 105.19 107.64 2aff n GLY 17 Ca -0.01 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 2.56 3.93 0.04 1.61 0.04 -1.26 -4.77 135.00 137.15 2aff s PRO 18 Ca 0.00 1.61 0.04 0.00 0.04 0.00 0.00 61.00 62.69 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 -0.37 -0.03 -3.38 0.04 0.00 0.00 177.00 173.26 2aff s HIS 19 N -1.65 2.94 -0.36 0.56 -3.43 -1.26 -1.94 115.29 110.16 2aff s HIS 19 Ca 0.62 -0.02 0.01 0.00 -0.80 0.00 0.00 55.06 54.87 2aff s HIS 19 Cb -0.24 -1.58 0.10 0.00 -1.43 0.00 0.00 32.58 29.43 2aff s HIS 19 CO 0.30 0.43 0.09 0.12 -2.00 0.00 0.00 174.74 173.68 2aff s PHE 20 N -1.15 3.64 0.02 0.38 5.36 0.19 -4.96 117.98 121.47 2aff s PHE 20 Ca 0.21 -2.69 -0.30 0.00 -0.96 0.00 0.00 56.93 53.19 2aff s PHE 20 Cb -0.11 -2.92 -0.05 0.00 -0.34 0.00 0.00 43.02 39.60 2aff s PHE 20 CO 0.12 -0.94 1.30 -1.25 -1.46 0.00 0.00 175.22 172.99 2aff s PRO 21 N 1.02 4.35 -0.34 10.12 0.04 -1.26 -2.08 135.00 146.85 2aff s PRO 21 Ca 0.08 1.86 -0.06 0.00 0.04 0.00 0.00 61.00 62.92 2aff s PRO 21 Cb -0.20 -3.45 -0.21 0.00 0.04 0.00 0.00 34.50 30.68 2aff s PRO 21 CO -0.06 -0.43 3.20 1.28 0.04 0.00 0.00 177.00 181.02 2aff n LEU 22 N 4.69 5.46 0.05 -3.56 4.77 -0.90 -4.45 117.00 123.06 2aff n LEU 22 Ca 0.11 -3.17 0.03 0.00 -0.03 0.00 0.00 56.01 52.95 2aff n LEU 22 Cb 0.45 -1.32 0.41 0.00 -2.33 0.00 0.00 43.42 40.63 2aff n LEU 22 CO 0.57 1.54 1.04 0.77 -1.33 0.00 0.00 177.39 179.99 2aff h SER 23 N 3.76 0.37 -3.86 -1.43 4.64 -1.90 -3.41 113.55 111.71 2aff h SER 23 Ca 0.31 -0.04 -0.50 0.00 -0.47 0.00 0.00 61.79 61.10 2aff h SER 23 Cb 1.11 -0.09 0.02 0.00 -0.31 0.00 0.00 62.40 63.13 2aff h SER 23 CO 0.59 0.36 0.46 -0.76 -0.87 0.00 0.00 176.83 176.62 2aff s LEU 24 N -9.19 4.41 0.39 5.97 1.43 -1.26 -4.91 118.68 115.52 2aff s LEU 24 Ca -0.07 2.23 0.28 0.00 -1.03 0.00 0.00 54.13 55.54 2aff s LEU 24 Cb 0.16 -3.80 1.28 0.00 0.03 0.00 0.00 46.19 43.86 2aff s LEU 24 CO 0.73 -0.29 1.84 0.77 0.23 0.00 0.00 176.35 179.64 2aff h SER 25 N 3.37 0.00 -3.61 2.29 4.64 -1.93 -3.41 113.55 114.90 2aff h SER 25 Ca -0.47 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.38 2aff h SER 25 Cb 1.21 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.98 2aff h SER 25 CO 0.65 0.00 -0.80 -0.89 -0.87 0.00 0.00 176.83 174.92 2aff s THR 26 N -3.54 0.92 -0.12 2.95 2.01 -1.26 -0.83 115.64 115.76 2aff s THR 26 Ca 0.01 -0.39 -0.00 0.00 0.31 0.00 0.00 61.69 61.62 2aff s THR 26 Cb 0.09 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 71.78 2aff s THR 26 CO 0.40 0.30 -0.09 0.00 -0.69 0.00 0.00 174.62 174.53 2aff s LEU 28 N 1.65 2.08 -0.01 0.00 2.96 -1.26 0.04 118.68 124.13 2aff s LEU 28 Ca 0.05 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 2aff s LEU 28 Cb -0.13 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 2aff s LEU 28 CO -0.09 0.17 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.75 2aff s PHE 29 N 0.25 3.06 -5.00 5.38 0.40 0.15 0.62 117.98 122.84 2aff s PHE 29 Ca -0.16 0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 2aff s PHE 29 Cb -0.17 -1.67 0.00 0.00 0.51 0.00 0.00 43.02 41.69 2aff s PHE 29 CO 0.08 0.45 0.00 0.41 0.70 0.00 0.00 175.22 176.86 2aff n GLY 30 N 1.47 -0.74 0.19 4.36 0.00 -0.67 -2.51 105.19 107.29 2aff n GLY 30 Ca -0.15 -1.66 -0.03 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 3.35 0.27 -6.53 1.61 3.08 -1.45 -3.05 114.38 111.66 2aff h ARG 31 Ca 0.00 -0.14 -0.60 0.00 0.07 0.00 0.00 59.98 59.31 2aff h ARG 31 Cb 0.00 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.14 2aff h ARG 31 CO 0.00 0.68 0.47 0.41 -1.07 0.00 0.00 179.97 180.46 2aff n GLY 32 N -0.06 0.47 0.24 0.04 0.00 -0.92 -4.82 105.19 100.14 2aff n GLY 32 Ca -0.02 0.47 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 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 2.80 1.23 0.00 -0.61 2.04 -1.90 -0.90 117.51 120.17 2aff h ILE 33 Ca -0.44 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 64.67 2aff h ILE 33 Cb 1.30 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2aff h ILE 33 CO 0.72 0.28 0.40 -0.08 0.00 0.00 0.00 178.15 179.46 2aff h GLU 34 N 0.67 0.00 -6.52 2.37 4.81 -1.96 -3.39 114.58 110.56 2aff h GLU 34 Ca 0.16 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.86 2aff h GLU 34 Cb 0.26 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.66 2aff h GLU 34 CO -0.01 0.00 0.76 0.00 -0.73 0.00 0.00 179.01 179.03 2aff h ASP 36 N 7.01 0.00 -3.36 0.00 3.32 -0.03 -3.37 116.42 119.99 2aff h ASP 36 Ca -0.42 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.00 2aff h ASP 36 Cb 1.20 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.39 2aff h ASP 36 CO 0.88 0.02 -0.82 -0.63 -1.72 0.00 0.00 179.24 176.96 2aff s ILE 37 N -4.90 1.83 -0.18 0.35 -1.09 0.56 -4.93 121.20 112.83 2aff s ILE 37 Ca -0.05 -1.04 -0.09 0.00 -2.23 0.00 0.00 60.65 57.24 2aff s ILE 37 Cb 0.16 -1.81 -0.05 0.00 -1.58 0.00 0.00 42.46 39.18 2aff s ILE 37 CO 0.64 0.27 0.12 -0.13 -1.23 0.00 0.00 174.94 174.61 2aff s ARG 38 N 1.33 4.04 -0.10 2.79 0.52 -1.26 -1.68 118.95 124.59 2aff s ARG 38 Ca -0.00 -0.23 0.04 0.00 -0.52 0.00 0.00 55.73 55.01 2aff s ARG 38 Cb -0.16 -3.34 -0.00 0.00 0.52 0.00 0.00 34.95 31.97 2aff s ARG 38 CO -0.09 0.36 -0.23 0.42 0.02 0.00 0.00 175.30 175.78 2aff s ILE 39 N 0.16 2.14 -0.22 1.52 1.01 -1.15 -4.96 121.20 119.70 2aff s ILE 39 Ca 0.08 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.74 2aff s ILE 39 Cb -0.11 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.54 2aff s ILE 39 CO -0.01 0.56 0.80 0.00 0.00 0.00 0.00 174.94 176.29 2aff n GLN 40 N 3.48 0.90 -3.27 2.79 6.02 -1.26 -4.45 117.38 121.59 2aff n GLN 40 Ca -0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.37 2aff n GLN 40 Cb 0.53 -1.14 -0.08 0.00 1.02 0.00 0.00 30.24 30.57 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 4.71 0.14 1.08 1.43 -1.26 -4.93 118.68 119.85 2aff s LEU 41 Ca 0.00 -0.52 0.08 0.00 -1.03 0.00 0.00 54.13 52.66 2aff s LEU 41 Cb 0.00 -2.48 0.42 0.00 0.03 0.00 0.00 46.19 44.15 2aff s LEU 41 CO 0.00 -0.61 1.17 -2.65 0.23 0.00 0.00 176.35 174.49 2aff n PRO 42 N 5.76 0.05 -0.30 1.29 -0.02 -1.26 -0.98 135.00 139.54 2aff n PRO 42 Ca -0.06 0.50 0.10 0.00 -2.02 0.00 0.00 63.50 62.02 2aff n PRO 42 Cb 0.48 -1.77 0.27 0.00 -0.02 0.00 0.00 33.50 32.46 2aff n PRO 42 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2aff n VAL 43 N -1.74 0.91 -3.52 -1.45 0.24 -1.26 -4.86 118.33 106.66 2aff n VAL 43 Ca -0.01 -0.96 -0.42 0.00 -2.04 0.00 0.00 64.34 60.92 2aff n VAL 43 Cb 0.12 0.58 -0.09 0.00 -1.47 0.00 0.00 33.84 32.97 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 -1.06 4.74 0.70 3.34 0.11 -0.15 -4.89 120.40 123.19 2aff s VAL 44 Ca 0.42 -1.10 -0.17 0.00 -2.93 0.00 0.00 61.98 58.19 2aff s VAL 44 Cb 0.22 -3.80 -0.13 0.00 -1.53 0.00 0.00 36.38 31.14 2aff s VAL 44 CO 0.29 -0.46 -0.95 -1.20 -3.33 0.00 0.00 175.10 169.46 2aff n SER 45 N 5.06 -2.74 -0.22 3.54 7.64 -1.26 -3.62 113.62 122.02 2aff n SER 45 Ca -0.11 0.04 -0.07 0.00 1.01 0.00 0.00 58.87 59.74 2aff n SER 45 Cb 0.44 -0.40 0.03 0.00 -1.01 0.00 0.00 64.21 63.27 2aff n SER 45 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2aff h LYS 46 N -0.70 0.89 0.00 1.43 1.57 -1.94 -2.52 116.57 115.30 2aff h LYS 46 Ca -0.28 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2aff h LYS 46 Cb 0.96 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 2aff h LYS 46 CO 0.15 0.71 -1.40 1.04 -0.57 0.00 0.00 179.45 179.38 2aff n GLN 47 N -4.51 0.27 0.00 3.15 1.13 -1.26 -2.18 117.38 113.99 2aff n GLN 47 Ca 0.04 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 2aff n GLN 47 Cb 0.12 -1.21 0.00 0.00 0.11 0.00 0.00 30.24 29.27 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 -1.81 0.00 -4.32 1.08 -0.00 -1.17 -4.01 115.22 104.99 2aff n HIS 48 Ca -0.02 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.97 2aff n HIS 48 Cb 0.23 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.95 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 0.22 1.48 -0.09 0.00 2.20 -0.46 0.31 119.74 123.40 2aff s LYS 50 Ca -0.03 -0.48 0.03 0.00 -0.36 0.00 0.00 55.97 55.13 2aff s LYS 50 Cb -0.08 -1.30 -0.01 0.00 -1.51 0.00 0.00 37.83 34.93 2aff s LYS 50 CO 0.00 0.17 -0.19 0.42 -0.36 0.00 0.00 175.35 175.39 2aff s ILE 51 N 0.17 2.56 -0.13 5.43 1.01 0.11 0.12 121.20 130.46 2aff s ILE 51 Ca -0.05 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.76 2aff s ILE 51 Cb -0.11 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.35 2aff s ILE 51 CO 0.02 0.55 -0.20 -1.61 0.00 0.00 0.00 174.94 173.70 2aff s GLU 52 N 0.07 3.11 -0.31 2.79 2.02 -0.15 -1.79 118.70 124.44 2aff s GLU 52 Ca -0.08 -0.82 -0.11 0.00 0.02 0.00 0.00 54.97 53.98 2aff s GLU 52 Cb -0.15 -2.45 -0.02 0.00 0.10 0.00 0.00 34.13 31.61 2aff s GLU 52 CO 0.05 0.08 0.18 0.42 0.02 0.00 0.00 175.26 176.01 2aff s ILE 53 N 0.61 4.86 -0.07 -1.63 1.01 -0.01 -1.65 121.20 124.32 2aff s ILE 53 Ca -0.11 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.27 2aff s ILE 53 Cb -0.16 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 2aff s ILE 53 CO 0.03 0.08 -0.10 -1.00 0.00 0.00 0.00 174.94 173.95 2aff s HIS 54 N 1.66 2.85 0.47 3.97 3.76 0.21 -4.92 115.29 123.29 2aff s HIS 54 Ca 0.05 -0.09 0.36 0.00 -0.15 0.00 0.00 55.06 55.24 2aff s HIS 54 Cb -0.17 -1.70 1.54 0.00 1.11 0.00 0.00 32.58 33.36 2aff s HIS 54 CO 0.08 0.24 1.59 0.93 -0.85 0.00 0.00 174.74 176.73 2aff h GLU 55 N 5.42 0.02 0.20 1.40 5.08 -2.01 0.29 114.58 124.97 2aff h GLU 55 Ca -0.46 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 2aff h GLU 55 Cb 1.17 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2aff h GLU 55 CO 0.52 0.01 -0.10 1.96 -1.00 0.00 0.00 179.01 180.41 2aff h GLN 56 N 0.02 -0.26 0.00 2.33 4.20 -2.01 -3.48 115.11 115.90 2aff h GLN 56 Ca 0.88 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.59 2aff h GLN 56 Cb 3.00 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 30.83 2aff h GLN 56 CO -0.36 -0.17 0.02 -0.85 -0.67 0.00 0.00 178.83 176.80 2aff n GLU 57 N -2.75 0.19 -4.31 1.46 0.28 0.10 -5.16 120.64 110.46 2aff n GLU 57 Ca -0.03 -0.47 -0.34 0.00 -0.16 0.00 0.00 57.16 56.15 2aff n GLU 57 Cb 0.11 0.53 -0.12 0.00 1.43 0.00 0.00 31.44 33.38 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 -1.44 2.99 -0.06 -1.84 0.00 -1.26 -0.62 121.76 119.54 2aff s ALA 58 Ca 0.04 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.16 2aff s ALA 58 Cb -0.01 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2aff s ALA 58 CO 0.03 0.10 -0.17 0.42 0.00 0.00 0.00 175.76 176.13 2aff s ILE 59 N 0.57 1.48 -0.16 0.00 1.01 -0.66 -0.90 121.20 122.54 2aff s ILE 59 Ca -0.02 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.78 2aff s ILE 59 Cb -0.14 -1.29 -0.05 0.00 0.01 0.00 0.00 42.46 40.99 2aff s ILE 59 CO 0.02 0.43 0.22 -0.22 0.00 0.00 0.00 174.94 175.39 2aff s LEU 60 N 0.19 4.26 -0.08 2.97 2.96 -0.12 -0.98 118.68 127.88 2aff s LEU 60 Ca -0.08 0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 2aff s LEU 60 Cb -0.13 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 2aff s LEU 60 CO 0.03 0.18 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.12 2aff s HIS 61 N 0.18 2.79 -0.50 5.38 3.76 0.33 -1.86 115.29 125.36 2aff s HIS 61 Ca 0.14 -0.30 -0.17 0.00 -0.15 0.00 0.00 55.06 54.58 2aff s HIS 61 Cb -0.12 -1.73 0.08 0.00 1.11 0.00 0.00 32.58 31.92 2aff s HIS 61 CO 0.02 0.07 0.50 1.21 -0.85 0.00 0.00 174.74 175.69 2aff s ASN 62 N -0.33 6.18 0.00 1.40 2.47 -1.26 -1.35 114.94 122.04 2aff s ASN 62 Ca 0.03 -1.29 0.23 0.00 0.42 0.00 0.00 52.86 52.26 2aff s ASN 62 Cb -0.13 -2.23 0.13 0.00 -1.45 0.00 0.00 41.25 37.57 2aff s ASN 62 CO 0.02 -0.78 1.15 0.49 -3.72 0.00 0.00 177.10 174.26 2aff n PHE 63 N 5.57 0.00 -2.30 0.43 3.01 -0.58 -4.87 117.46 118.72 2aff n PHE 63 Ca -0.11 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.92 2aff n PHE 63 Cb 0.43 -0.09 -0.02 0.00 -0.01 0.00 0.00 39.48 39.79 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 -2.87 6.25 0.16 4.37 0.15 -0.62 -4.64 113.70 116.49 2aff s SER 64 Ca 0.12 0.85 0.23 0.00 0.70 0.00 0.00 55.95 57.85 2aff s SER 64 Cb 0.17 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 62.02 2aff s SER 64 CO 0.74 -1.50 1.09 -1.54 1.20 0.00 0.00 173.24 173.23 2aff n SER 65 N 9.12 0.76 0.03 5.45 3.41 -1.26 -3.64 113.62 127.49 2aff n SER 65 Ca 0.17 0.20 -0.22 0.00 -0.26 0.00 0.00 58.87 58.76 2aff n SER 65 Cb 0.48 0.47 -0.14 0.00 -0.26 0.00 0.00 64.21 64.75 2aff n SER 65 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2aff h THR 66 N 0.00 0.80 -2.27 6.66 2.02 -1.99 -3.45 112.91 114.69 2aff h THR 66 Ca 0.00 -2.40 -0.38 0.00 0.77 0.00 0.00 66.41 64.40 2aff h THR 66 Cb 0.90 2.62 -0.34 0.00 -1.74 0.00 0.00 68.15 69.59 2aff h THR 66 CO 0.00 0.84 -0.67 0.20 0.37 0.00 0.00 175.52 176.26 2aff s ASN 67 N -7.13 2.04 0.57 4.18 0.01 -1.26 -5.15 114.94 108.19 2aff s ASN 67 Ca -0.20 -0.95 -0.21 0.00 -0.71 0.00 0.00 52.86 50.79 2aff s ASN 67 Cb 0.06 0.32 -0.05 0.00 0.41 0.00 0.00 41.25 41.99 2aff s ASN 67 CO 0.79 -0.39 1.21 -2.65 -1.51 0.00 0.00 177.10 174.56 2aff n PRO 68 N 5.20 1.36 -2.16 -0.60 -0.02 -1.24 -4.69 135.00 132.85 2aff n PRO 68 Ca -0.02 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 2aff n PRO 68 Cb 0.45 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.36 2.93 -0.03 3.45 2.01 -1.26 -4.70 115.64 116.68 2aff s THR 69 Ca 0.74 0.84 -0.06 0.00 0.31 0.00 0.00 61.69 63.52 2aff s THR 69 Cb -0.42 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2aff s THR 69 CO 0.48 0.16 0.22 -1.10 -0.69 0.00 0.00 174.62 173.70 2aff s GLN 70 N -0.93 3.53 -0.02 4.92 -0.21 -0.66 -0.82 119.66 125.46 2aff s GLN 70 Ca 0.53 -0.12 0.03 0.00 0.02 0.00 0.00 55.36 55.82 2aff s GLN 70 Cb -0.38 -3.12 -0.00 0.00 1.00 0.00 0.00 33.01 30.50 2aff s GLN 70 CO 0.45 0.69 -0.11 0.54 -2.12 0.00 0.00 175.29 174.74 2aff s VAL 71 N -1.23 0.94 -1.07 1.09 0.11 0.54 0.18 120.40 120.96 2aff s VAL 71 Ca 0.24 -0.48 -0.03 0.00 -2.93 0.00 0.00 61.98 58.79 2aff s VAL 71 Cb -0.13 -0.80 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 2aff s VAL 71 CO 0.14 0.27 0.17 0.59 -3.33 0.00 0.00 175.10 172.94 2aff n ASN 72 N 3.02 -3.74 -0.93 3.54 3.02 0.46 0.16 115.26 120.79 2aff n ASN 72 Ca -0.16 0.02 -0.08 0.00 -0.03 0.00 0.00 54.58 54.33 2aff n ASN 72 Cb 0.55 -3.15 -0.01 0.00 -0.61 0.00 0.00 39.78 36.56 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 -0.92 0.15 2.87 7.41 0.00 -1.26 -5.03 105.19 108.41 2aff n GLY 73 Ca -0.10 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.65 0.34 0.45 1.61 0.15 0.43 -5.11 113.70 108.92 2aff s SER 74 Ca 0.00 -0.04 -0.25 0.00 0.70 0.00 0.00 55.95 56.36 2aff s SER 74 Cb 0.00 -0.12 -0.08 0.00 -1.71 0.00 0.00 66.02 64.11 2aff s SER 74 CO 0.00 -0.03 1.40 0.54 1.20 0.00 0.00 173.24 176.35 2aff s VAL 75 N 0.44 2.19 -0.39 4.45 0.11 -1.26 0.20 120.40 126.14 2aff s VAL 75 Ca -0.04 0.17 -0.08 0.00 -2.93 0.00 0.00 61.98 59.10 2aff s VAL 75 Cb -0.07 -3.10 0.07 0.00 -1.53 0.00 0.00 36.38 31.75 2aff s VAL 75 CO -0.01 0.02 0.20 -0.63 -3.33 0.00 0.00 175.10 171.36 2aff s ILE 76 N -1.22 3.98 0.12 7.04 1.01 -0.00 -4.79 121.20 127.34 2aff s ILE 76 Ca 0.61 -1.38 -0.13 0.00 0.00 0.00 0.00 60.65 59.74 2aff s ILE 76 Cb -0.42 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 2aff s ILE 76 CO 0.54 -0.42 1.48 0.44 0.00 0.00 0.00 174.94 176.98 2aff h ASP 77 N 8.31 0.82 -4.95 3.58 3.32 -1.94 -3.40 116.42 122.15 2aff h ASP 77 Ca -0.22 -0.42 -0.54 0.00 0.02 0.00 0.00 57.03 55.87 2aff h ASP 77 Cb 1.08 -0.23 -0.13 0.00 0.22 0.00 0.00 39.33 40.27 2aff h ASP 77 CO 0.70 1.06 -0.48 -0.62 -1.72 0.00 0.00 179.24 178.18 2aff n GLU 78 N -4.25 0.49 -1.69 3.56 1.02 -1.26 -5.01 120.64 113.50 2aff n GLU 78 Ca -0.02 -3.50 -0.39 0.00 -0.02 0.00 0.00 57.16 53.23 2aff n GLU 78 Cb 0.44 2.35 0.04 0.00 -0.02 0.00 0.00 31.44 34.24 2aff n GLU 78 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2aff n PRO 79 N -0.81 1.40 -3.92 3.49 -0.02 -1.26 -4.78 135.00 129.10 2aff n PRO 79 Ca 0.01 0.52 -0.11 0.00 -2.02 0.00 0.00 63.50 61.89 2aff n PRO 79 Cb 0.63 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.59 2aff n PRO 79 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2aff s VAL 80 N -1.35 0.07 0.07 -1.45 -7.23 -0.78 -5.00 120.40 104.72 2aff s VAL 80 Ca 0.72 -0.27 -0.30 0.00 -1.81 0.00 0.00 61.98 60.31 2aff s VAL 80 Cb -0.44 -0.11 -0.05 0.00 0.56 0.00 0.00 36.38 36.34 2aff s VAL 80 CO 0.49 -0.13 1.12 -0.60 -0.31 0.00 0.00 175.10 175.67 2aff s ARG 81 N -0.42 4.50 0.12 4.82 3.52 -1.26 -0.94 118.95 129.29 2aff s ARG 81 Ca -0.04 1.66 -0.29 0.00 -0.13 0.00 0.00 55.73 56.93 2aff s ARG 81 Cb -0.03 -3.36 -0.06 0.00 -1.56 0.00 0.00 34.95 29.94 2aff s ARG 81 CO -0.00 -0.13 0.93 -0.51 -0.81 0.00 0.00 175.30 174.78 2aff s LEU 82 N 0.74 4.52 0.09 -0.88 1.43 -0.07 -4.91 118.68 119.59 2aff s LEU 82 Ca 0.55 1.78 0.06 0.00 -1.03 0.00 0.00 54.13 55.48 2aff s LEU 82 Cb -0.27 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 2aff s LEU 82 CO 0.30 -0.02 -0.16 -0.54 0.23 0.00 0.00 176.35 176.16 2aff s LYS 83 N -0.20 0.92 -0.17 1.70 1.02 -1.26 -4.62 119.74 117.12 2aff s LYS 83 Ca 0.45 -1.04 -0.33 0.00 0.02 0.00 0.00 55.97 55.07 2aff s LYS 83 Cb -0.23 -0.98 -0.10 0.00 -0.52 0.00 0.00 37.83 35.99 2aff s LYS 83 CO 0.29 0.22 2.03 1.58 -0.92 0.00 0.00 175.35 178.55 2aff n HIS 84 N 1.14 2.10 0.00 3.18 -0.00 -1.26 -1.17 115.22 119.20 2aff n HIS 84 Ca -0.20 0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 2aff n HIS 84 Cb 0.54 -2.65 0.00 0.00 -0.00 0.00 0.00 29.99 27.88 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 5.18 2.40 3.75 1.57 0.00 -0.89 -4.96 105.19 112.24 2aff n GLY 85 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.75 6.91 -0.12 1.61 1.01 -0.32 -4.81 116.67 119.21 2aff s ASP 86 Ca 0.00 2.45 0.01 0.00 0.71 0.00 0.00 52.55 55.72 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 -0.48 -0.14 -0.69 0.21 0.00 0.00 175.17 174.07 2aff s VAL 87 N -0.33 2.98 -0.15 -1.27 1.01 -1.26 -2.25 120.40 119.13 2aff s VAL 87 Ca 0.53 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 2aff s VAL 87 Cb -0.37 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 2aff s VAL 87 CO 0.42 0.53 0.25 -0.63 0.00 0.00 0.00 175.10 175.67 2aff s ILE 88 N 0.21 5.33 -0.15 2.22 1.01 -0.95 -0.41 121.20 128.47 2aff s ILE 88 Ca -0.09 0.45 0.02 0.00 0.00 0.00 0.00 60.65 61.03 2aff s ILE 88 Cb -0.15 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.75 2aff s ILE 88 CO 0.05 0.45 -0.19 -0.89 0.00 0.00 0.00 174.94 174.36 2aff s THR 89 N 0.11 2.30 -0.16 2.92 2.01 0.48 -0.52 115.64 122.78 2aff s THR 89 Ca 0.15 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 2aff s THR 89 Cb -0.13 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 2aff s THR 89 CO 0.03 0.53 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.78 2aff s ILE 90 N 0.84 3.32 0.00 1.82 1.01 0.89 -1.66 121.20 127.42 2aff s ILE 90 Ca -0.06 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.05 2aff s ILE 90 Cb -0.15 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.87 2aff s ILE 90 CO -0.02 0.49 0.00 -0.38 0.00 0.00 0.00 174.94 175.03 2aff n ILE 91 N 3.91 0.00 -0.94 2.92 2.08 -1.26 0.30 119.36 126.36 2aff n ILE 91 Ca -0.18 0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.19 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 -0.67 0.56 0.00 0.00 176.55 176.44 2aff n ASP 92 N 2.26 1.91 -4.23 4.38 2.03 -1.26 -5.01 116.55 116.63 2aff n ASP 92 Ca 0.00 -2.65 -0.28 0.00 0.52 0.00 0.00 54.79 52.38 2aff n ASP 92 Cb 0.00 -0.29 -0.16 0.00 -0.72 0.00 0.00 41.12 39.95 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2aff s ARG 93 N -2.03 1.89 0.06 -0.67 1.81 0.87 -4.71 118.95 116.17 2aff s ARG 93 Ca 0.20 -0.78 0.03 0.00 -1.72 0.00 0.00 55.73 53.45 2aff s ARG 93 Cb 0.18 -1.77 -0.03 0.00 -0.45 0.00 0.00 34.95 32.88 2aff s ARG 93 CO 0.02 0.43 -0.09 -1.12 -0.68 0.00 0.00 175.30 173.87 2aff s SER 94 N -0.40 1.04 -0.16 0.23 0.01 -1.26 0.30 113.70 113.47 2aff s SER 94 Ca 0.05 -0.63 0.01 0.00 1.31 0.00 0.00 55.95 56.69 2aff s SER 94 Cb -0.10 0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.18 2aff s SER 94 CO 0.00 -0.22 -0.17 -0.36 0.41 0.00 0.00 173.24 172.90 2aff s PHE 95 N -1.71 2.41 0.00 2.43 0.40 0.32 -2.00 117.98 119.82 2aff s PHE 95 Ca -0.05 -1.36 -0.29 0.00 -0.60 0.00 0.00 56.93 54.63 2aff s PHE 95 Cb -0.08 -1.71 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 2aff s PHE 95 CO 0.00 -0.70 0.93 0.50 0.70 0.00 0.00 175.22 176.65 2aff s ARG 96 N 1.32 4.55 -0.22 0.44 3.52 -0.79 -2.23 118.95 125.54 2aff s ARG 96 Ca 0.03 1.33 -0.13 0.00 -0.13 0.00 0.00 55.73 56.83 2aff s ARG 96 Cb -0.13 -3.45 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 2aff s ARG 96 CO -0.10 0.00 0.25 -0.47 -0.81 0.00 0.00 175.30 174.18 2aff s TYR 97 N 0.85 3.35 -0.07 5.12 5.04 -0.95 -1.93 117.35 128.76 2aff s TYR 97 Ca 0.49 0.39 0.02 0.00 -2.44 0.00 0.00 57.07 55.53 2aff s TYR 97 Cb -0.21 -2.37 0.01 0.00 0.35 0.00 0.00 41.96 39.75 2aff s TYR 97 CO 0.26 0.05 -0.13 -1.21 -1.34 0.00 0.00 175.55 173.19 2aff s GLU 98 N 1.10 1.79 -0.25 4.97 2.02 -0.78 -2.09 118.70 125.45 2aff s GLU 98 Ca 0.12 -0.44 0.01 0.00 0.02 0.00 0.00 54.97 54.68 2aff s GLU 98 Cb -0.14 -1.48 0.04 0.00 0.10 0.00 0.00 34.13 32.65 2aff s GLU 98 CO 0.05 0.02 -0.10 1.21 0.02 0.00 0.00 175.26 176.46 2aff s ASN 99 N 0.72 4.26 0.00 -0.19 3.84 -1.26 -1.29 114.94 121.02 2aff s ASN 99 Ca -0.13 -1.13 0.05 0.00 0.21 0.00 0.00 52.86 51.86 2aff s ASN 99 Cb -0.16 -1.59 0.04 0.00 -0.55 0.00 0.00 41.25 38.99 2aff s ASN 99 CO 0.03 -0.15 0.67 -1.84 -2.79 0.00 0.00 177.10 173.01