#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 0.00 -3.02 0.52 5.66 -1.26 -5.13 114.28 111.04 2aff n THR 4 Ca 0.00 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 2aff n THR 4 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 2aff n THR 4 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2aff s ARG 5 N 0.00 4.45 0.01 1.09 0.52 -1.24 -3.99 118.95 119.79 2aff s ARG 5 Ca 0.00 0.93 0.02 0.00 -0.52 0.00 0.00 55.73 56.16 2aff s ARG 5 Cb 0.00 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 32.02 2aff s ARG 5 CO 0.00 0.09 -0.07 1.03 0.02 0.00 0.00 175.30 176.36 2aff s ARG 6 N 0.71 0.54 -0.12 3.54 0.52 -0.38 -2.10 118.95 121.66 2aff s ARG 6 Ca 0.38 -0.37 -0.01 0.00 -0.52 0.00 0.00 55.73 55.22 2aff s ARG 6 Cb -0.18 -0.48 -0.02 0.00 0.52 0.00 0.00 34.95 34.78 2aff s ARG 6 CO 0.19 0.12 -0.09 -0.51 0.02 0.00 0.00 175.30 175.04 2aff s LEU 7 N -0.50 2.98 -0.19 2.53 1.43 -0.90 -2.10 118.68 121.95 2aff s LEU 7 Ca -0.00 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 2aff s LEU 7 Cb -0.04 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 2aff s LEU 7 CO -0.00 0.22 -0.02 -0.69 0.23 0.00 0.00 176.35 176.09 2aff s VAL 8 N 0.04 3.88 0.28 -1.59 1.01 -0.98 -0.13 120.40 122.91 2aff s VAL 8 Ca -0.02 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 2aff s VAL 8 Cb -0.14 -2.74 -0.09 0.00 0.00 0.00 0.00 36.38 33.41 2aff s VAL 8 CO 0.04 0.45 1.02 -0.89 0.00 0.00 0.00 175.10 175.71 2aff s THR 9 N 0.84 3.80 -0.11 3.92 2.01 -0.72 -1.66 115.64 123.73 2aff s THR 9 Ca 0.00 1.75 -0.01 0.00 0.31 0.00 0.00 61.69 63.74 2aff s THR 9 Cb -0.14 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 2aff s THR 9 CO 0.02 0.36 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.62 2aff s ILE 10 N -1.26 3.71 0.41 1.82 1.01 -0.48 -1.53 121.20 124.88 2aff s ILE 10 Ca 0.45 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 2aff s ILE 10 Cb -0.27 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 2aff s ILE 10 CO 0.35 0.55 0.67 -0.54 0.00 0.00 0.00 174.94 175.97 2aff s LYS 11 N -0.25 3.53 0.54 2.79 1.02 0.14 -4.22 119.74 123.29 2aff s LYS 11 Ca 0.04 -0.04 0.22 0.00 0.02 0.00 0.00 55.97 56.21 2aff s LYS 11 Cb -0.13 -2.52 1.39 0.00 -0.52 0.00 0.00 37.83 36.05 2aff s LYS 11 CO 0.02 -0.02 2.07 0.00 -0.92 0.00 0.00 175.35 176.50 2aff h ARG 12 N 0.58 0.00 -0.00 1.68 3.08 -1.89 0.29 114.38 118.13 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 1.21 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 -0.06 -1.13 -1.07 0.00 0.00 179.97 178.33 2aff n SER 13 N -4.35 0.09 -0.06 7.04 3.41 -1.26 -4.90 113.62 113.58 2aff n SER 13 Ca 0.04 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 2aff n SER 13 Cb 0.38 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 1.43 1.25 3.25 5.00 0.00 0.10 -5.09 105.19 111.13 2aff n GLY 14 Ca 0.09 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.13 2.02 0.22 1.61 1.01 -1.25 -4.86 120.40 117.02 2aff s VAL 15 Ca 0.00 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.64 2aff s VAL 15 Cb 0.00 -1.71 -0.09 0.00 0.00 0.00 0.00 36.38 34.58 2aff s VAL 15 CO 0.00 0.56 1.19 -1.81 0.00 0.00 0.00 175.10 175.04 2aff s ASP 16 N -0.09 7.09 0.00 3.32 1.01 -1.26 -0.68 116.67 126.05 2aff s ASP 16 Ca -0.05 2.29 0.00 0.00 0.71 0.00 0.00 52.55 55.49 2aff s ASP 16 Cb -0.14 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.17 2aff s ASP 16 CO 0.04 -0.35 0.00 0.61 0.21 0.00 0.00 175.17 175.68 2aff n GLY 17 N 1.89 2.38 3.79 0.21 0.00 -0.58 -4.94 105.19 107.94 2aff n GLY 17 Ca 0.03 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 2.94 3.92 -0.09 1.61 0.04 -1.26 -4.71 135.00 137.46 2aff s PRO 18 Ca 0.00 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 62.48 2aff s PRO 18 Cb 0.00 -2.28 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 2aff s PRO 18 CO 0.00 -0.34 -0.05 -3.38 0.04 0.00 0.00 177.00 173.27 2aff s HIS 19 N -1.83 3.00 -0.38 0.56 -3.43 -1.26 -1.76 115.29 110.19 2aff s HIS 19 Ca 0.64 -0.00 -0.05 0.00 -0.80 0.00 0.00 55.06 54.85 2aff s HIS 19 Cb -0.19 -1.77 0.08 0.00 -1.43 0.00 0.00 32.58 29.28 2aff s HIS 19 CO 0.24 0.30 0.17 0.12 -2.00 0.00 0.00 174.74 173.56 2aff s PHE 20 N -0.63 3.43 0.23 0.38 5.36 0.82 -4.93 117.98 122.64 2aff s PHE 20 Ca 0.10 -2.00 -0.30 0.00 -0.96 0.00 0.00 56.93 53.76 2aff s PHE 20 Cb -0.12 -2.86 -0.09 0.00 -0.34 0.00 0.00 43.02 39.62 2aff s PHE 20 CO 0.02 -0.89 1.06 -1.25 -1.46 0.00 0.00 175.22 172.70 2aff s PRO 21 N 1.26 4.67 -0.88 10.12 0.04 -1.26 -2.11 135.00 146.84 2aff s PRO 21 Ca 0.03 1.70 -0.20 0.00 0.04 0.00 0.00 61.00 62.57 2aff s PRO 21 Cb -0.22 -3.24 0.11 0.00 0.04 0.00 0.00 34.50 31.19 2aff s PRO 21 CO -0.01 0.23 1.11 -0.51 0.04 0.00 0.00 177.00 177.85 2aff s LEU 22 N -0.98 4.85 0.00 -3.56 1.43 -0.89 -4.75 118.68 114.78 2aff s LEU 22 Ca 0.45 -1.80 0.24 0.00 -1.03 0.00 0.00 54.13 51.99 2aff s LEU 22 Cb -0.29 -2.41 0.34 0.00 0.03 0.00 0.00 46.19 43.86 2aff s LEU 22 CO 0.37 -1.16 1.30 -1.54 0.23 0.00 0.00 176.35 175.55 2aff n SER 23 N 6.89 0.94 -4.67 2.29 3.41 -1.26 -4.69 113.62 116.53 2aff n SER 23 Ca 0.19 -0.74 -0.30 0.00 -0.26 0.00 0.00 58.87 57.76 2aff n SER 23 Cb 0.48 0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 64.77 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 -2.81 3.38 0.36 1.04 1.43 -1.26 -5.01 118.68 115.82 2aff s LEU 24 Ca 0.15 -0.22 0.27 0.00 -1.03 0.00 0.00 54.13 53.30 2aff s LEU 24 Cb 0.18 -2.13 1.16 0.00 0.03 0.00 0.00 46.19 45.43 2aff s LEU 24 CO 0.68 0.17 1.81 0.28 0.23 0.00 0.00 176.35 179.52 2aff h SER 25 N 3.45 0.00 -3.58 2.29 0.02 -1.90 -3.42 113.55 110.41 2aff h SER 25 Ca -0.48 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 59.96 2aff h SER 25 Cb 1.17 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.38 2aff h SER 25 CO 0.58 0.00 -0.82 -0.89 -1.14 0.00 0.00 176.83 174.57 2aff s THR 26 N -3.47 1.15 -0.13 -2.27 2.01 -1.26 -0.72 115.64 110.96 2aff s THR 26 Ca 0.03 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 2aff s THR 26 Cb 0.09 -1.03 0.03 0.00 0.01 0.00 0.00 72.50 71.59 2aff s THR 26 CO 0.42 0.35 -0.09 0.00 -0.69 0.00 0.00 174.62 174.62 2aff s LEU 28 N 1.64 2.34 -0.10 0.00 2.96 -1.26 -0.31 118.68 123.93 2aff s LEU 28 Ca 0.04 -0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 53.47 2aff s LEU 28 Cb -0.13 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2aff s LEU 28 CO -0.09 0.17 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.74 2aff s PHE 29 N 0.31 3.10 -5.00 5.38 0.40 0.13 0.25 117.98 122.54 2aff s PHE 29 Ca -0.15 0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 2aff s PHE 29 Cb -0.17 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.53 2aff s PHE 29 CO 0.07 0.32 0.00 0.41 0.70 0.00 0.00 175.22 176.73 2aff n GLY 30 N 2.53 -2.01 0.14 4.36 0.00 -0.77 -2.51 105.19 106.94 2aff n GLY 30 Ca -0.18 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.36 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 1.01 0.19 -6.68 1.61 3.08 -1.47 -3.19 114.38 108.93 2aff h ARG 31 Ca 0.00 -0.18 -0.58 0.00 0.07 0.00 0.00 59.98 59.29 2aff h ARG 31 Cb 0.00 0.05 0.14 0.00 0.08 0.00 0.00 29.97 30.24 2aff h ARG 31 CO 0.00 0.89 0.11 0.41 -1.07 0.00 0.00 179.97 180.31 2aff n GLY 32 N 0.69 -0.34 0.26 0.04 0.00 -1.04 -4.86 105.19 99.94 2aff n GLY 32 Ca -0.03 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 1.18 1.26 -0.16 -0.61 6.09 -1.90 -1.93 117.51 121.45 2aff h ILE 33 Ca -0.46 -1.10 0.05 0.00 -1.37 0.00 0.00 64.86 61.98 2aff h ILE 33 Cb 1.35 1.00 -0.01 0.00 0.47 0.00 0.00 36.82 39.63 2aff h ILE 33 CO 0.55 0.38 0.42 -0.08 -3.07 0.00 0.00 178.15 176.35 2aff h GLU 34 N 0.73 0.00 -6.47 2.19 4.57 -1.95 -3.40 114.58 110.25 2aff h GLU 34 Ca 0.14 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.78 2aff h GLU 34 Cb 0.53 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.15 2aff h GLU 34 CO 0.03 0.00 0.95 0.00 -1.18 0.00 0.00 179.01 178.81 2aff h ASP 36 N 7.98 0.00 -3.28 0.00 3.32 -0.43 -3.38 116.42 120.63 2aff h ASP 36 Ca -0.42 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.12 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 0.92 0.00 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.01 2aff s ILE 37 N -4.82 0.96 -0.15 0.35 1.01 -0.44 -4.96 121.20 113.15 2aff s ILE 37 Ca -0.05 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.24 2aff s ILE 37 Cb 0.16 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 2aff s ILE 37 CO 0.61 0.34 0.10 -0.13 0.00 0.00 0.00 174.94 175.87 2aff s ARG 38 N 1.36 3.69 -0.12 2.79 0.52 -1.26 -1.84 118.95 124.10 2aff s ARG 38 Ca -0.02 -0.23 0.02 0.00 -0.52 0.00 0.00 55.73 54.98 2aff s ARG 38 Cb -0.14 -3.21 -0.01 0.00 0.52 0.00 0.00 34.95 32.12 2aff s ARG 38 CO -0.04 0.54 -0.19 0.42 0.02 0.00 0.00 175.30 176.05 2aff s ILE 39 N -0.36 2.47 -0.09 1.52 1.01 -1.20 -4.97 121.20 119.57 2aff s ILE 39 Ca 0.11 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2aff s ILE 39 Cb -0.12 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.36 2aff s ILE 39 CO 0.01 0.54 0.68 0.00 0.00 0.00 0.00 174.94 176.18 2aff n GLN 40 N 3.57 0.71 -3.31 2.79 6.02 -1.26 -4.62 117.38 121.28 2aff n GLN 40 Ca -0.19 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.41 2aff n GLN 40 Cb 0.53 -1.16 -0.08 0.00 1.02 0.00 0.00 30.24 30.55 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 4.07 0.00 1.08 1.43 -1.26 -4.94 118.68 119.06 2aff s LEU 41 Ca 0.00 0.46 0.21 0.00 -1.03 0.00 0.00 54.13 53.77 2aff s LEU 41 Cb 0.00 -2.56 0.97 0.00 0.03 0.00 0.00 46.19 44.62 2aff s LEU 41 CO 0.00 -0.21 1.68 -0.81 0.23 0.00 0.00 176.35 177.25 2aff n PRO 42 N 5.21 0.11 -0.33 1.29 -0.04 -1.26 -2.36 135.00 137.62 2aff n PRO 42 Ca -0.06 0.12 0.10 0.00 -0.04 0.00 0.00 63.50 63.62 2aff n PRO 42 Cb 0.50 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.75 2aff n PRO 42 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2aff n VAL 43 N -1.42 0.99 -3.69 0.52 0.24 -1.26 -4.95 118.33 108.76 2aff n VAL 43 Ca 0.07 -0.99 -0.37 0.00 -2.04 0.00 0.00 64.34 61.01 2aff n VAL 43 Cb 0.22 0.51 -0.06 0.00 -1.47 0.00 0.00 33.84 33.04 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 -1.01 5.26 0.87 3.34 1.01 -1.00 -4.93 120.40 123.95 2aff s VAL 44 Ca 0.43 0.45 -0.12 0.00 0.00 0.00 0.00 61.98 62.75 2aff s VAL 44 Cb 0.23 -3.57 0.12 0.00 0.00 0.00 0.00 36.38 33.15 2aff s VAL 44 CO 0.30 0.53 1.10 -0.44 0.00 0.00 0.00 175.10 176.58 2aff s SER 45 N -1.25 3.72 0.21 3.32 0.01 -1.26 -4.61 113.70 113.85 2aff s SER 45 Ca 0.22 1.38 -0.08 0.00 1.31 0.00 0.00 55.95 58.78 2aff s SER 45 Cb -0.14 -2.07 0.16 0.00 0.21 0.00 0.00 66.02 64.18 2aff s SER 45 CO 0.11 -2.47 1.81 0.11 0.41 0.00 0.00 173.24 173.21 2aff h LYS 46 N -1.43 1.14 0.00 12.44 1.57 -1.94 -2.56 116.57 125.79 2aff h LYS 46 Ca -0.49 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.07 2aff h LYS 46 Cb 1.29 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2aff h LYS 46 CO 0.57 0.87 -1.38 1.04 -0.57 0.00 0.00 179.45 179.98 2aff n GLN 47 N -4.37 1.57 0.00 3.15 6.02 -1.26 -2.50 117.38 119.99 2aff n GLN 47 Ca 0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2aff n GLN 47 Cb 0.13 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.22 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 -1.99 0.00 -4.72 1.08 -0.00 -1.21 -4.00 115.22 104.37 2aff n HIS 48 Ca -0.06 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.87 2aff n HIS 48 Cb 0.45 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.16 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 0.26 1.37 -0.10 0.00 2.20 -0.75 0.17 119.74 122.88 2aff s LYS 50 Ca -0.08 -0.29 0.01 0.00 -0.36 0.00 0.00 55.97 55.25 2aff s LYS 50 Cb -0.13 -1.21 -0.02 0.00 -1.51 0.00 0.00 37.83 34.97 2aff s LYS 50 CO 0.03 -0.03 -0.12 0.42 -0.36 0.00 0.00 175.35 175.29 2aff s ILE 51 N 0.83 3.23 -0.13 5.43 1.01 0.57 0.73 121.20 132.87 2aff s ILE 51 Ca -0.12 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 59.93 2aff s ILE 51 Cb -0.15 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.99 2aff s ILE 51 CO 0.02 0.55 -0.21 -1.61 0.00 0.00 0.00 174.94 173.69 2aff s GLU 52 N -0.07 3.09 -0.33 2.79 2.02 -0.01 -1.77 118.70 124.41 2aff s GLU 52 Ca -0.02 -0.83 -0.10 0.00 0.02 0.00 0.00 54.97 54.04 2aff s GLU 52 Cb -0.14 -2.44 0.01 0.00 0.10 0.00 0.00 34.13 31.66 2aff s GLU 52 CO 0.03 0.07 0.17 0.42 0.02 0.00 0.00 175.26 175.97 2aff s ILE 53 N 0.64 4.54 0.03 -1.63 1.01 0.11 -1.10 121.20 124.80 2aff s ILE 53 Ca -0.11 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.01 2aff s ILE 53 Cb -0.16 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 2aff s ILE 53 CO 0.02 -0.04 -0.12 -1.00 0.00 0.00 0.00 174.94 173.81 2aff s HIS 54 N 1.58 2.73 0.61 3.97 3.76 -0.05 -4.91 115.29 122.99 2aff s HIS 54 Ca 0.04 -0.15 0.23 0.00 -0.15 0.00 0.00 55.06 55.03 2aff s HIS 54 Cb -0.18 -1.52 0.80 0.00 1.11 0.00 0.00 32.58 32.79 2aff s HIS 54 CO 0.06 0.33 1.25 -1.91 -0.85 0.00 0.00 174.74 173.62 2aff n GLU 55 N 1.43 0.02 0.03 1.40 2.13 -1.26 -0.05 120.64 124.34 2aff n GLU 55 Ca -0.15 1.01 -0.01 0.00 0.66 0.00 0.00 57.16 58.66 2aff n GLU 55 Cb 0.52 -2.53 -0.01 0.00 0.27 0.00 0.00 31.44 29.70 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2aff h GLN 56 N 0.00 -0.08 0.00 5.31 4.20 -2.00 -3.50 115.11 119.05 2aff h GLN 56 Ca 0.43 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.15 2aff h GLN 56 Cb 2.81 0.02 0.00 0.00 0.30 0.00 0.00 27.48 30.61 2aff h GLN 56 CO -0.00 -0.05 0.00 -1.91 -0.67 0.00 0.00 178.83 176.19 2aff n GLU 57 N -2.42 0.00 -3.82 1.46 4.07 0.93 -5.14 120.64 115.73 2aff n GLU 57 Ca -0.01 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.73 2aff n GLU 57 Cb 0.03 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 31.29 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 -1.07 3.20 -0.13 4.31 0.00 -1.26 -0.87 121.76 125.94 2aff s ALA 58 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2aff s ALA 58 Cb 0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 2aff s ALA 58 CO 0.00 -0.36 -0.14 0.42 0.00 0.00 0.00 175.76 175.68 2aff s ILE 59 N 1.39 2.95 -0.19 0.00 1.01 -0.25 0.17 121.20 126.27 2aff s ILE 59 Ca 0.05 -0.69 -0.14 0.00 0.00 0.00 0.00 60.65 59.87 2aff s ILE 59 Cb -0.15 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 2aff s ILE 59 CO 0.04 0.52 0.29 -0.22 0.00 0.00 0.00 174.94 175.57 2aff s LEU 60 N 0.41 4.19 -0.10 2.97 2.96 0.76 -0.83 118.68 129.04 2aff s LEU 60 Ca -0.11 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 2aff s LEU 60 Cb -0.16 -2.34 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 2aff s LEU 60 CO 0.05 0.04 -0.10 -1.00 -1.32 0.00 0.00 176.35 174.03 2aff s HIS 61 N 0.85 2.87 -0.49 5.38 3.76 0.22 -1.13 115.29 126.75 2aff s HIS 61 Ca 0.15 -0.26 -0.20 0.00 -0.15 0.00 0.00 55.06 54.60 2aff s HIS 61 Cb -0.13 -1.78 0.05 0.00 1.11 0.00 0.00 32.58 31.83 2aff s HIS 61 CO 0.05 0.08 0.64 1.21 -0.85 0.00 0.00 174.74 175.87 2aff s ASN 62 N -0.25 6.25 0.00 1.40 3.84 -1.26 -1.81 114.94 123.10 2aff s ASN 62 Ca 0.03 -0.77 0.22 0.00 0.21 0.00 0.00 52.86 52.54 2aff s ASN 62 Cb -0.13 -2.30 -0.16 0.00 -0.55 0.00 0.00 41.25 38.12 2aff s ASN 62 CO 0.03 -0.88 0.88 0.49 -2.79 0.00 0.00 177.10 174.83 2aff n PHE 63 N 6.24 0.04 -2.25 0.43 3.01 0.22 -4.84 117.46 120.31 2aff n PHE 63 Ca -0.05 0.01 -0.40 0.00 1.01 0.00 0.00 57.45 58.02 2aff n PHE 63 Cb 0.46 -0.18 -0.03 0.00 -0.01 0.00 0.00 39.48 39.72 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 -3.43 5.67 0.28 4.37 0.15 -0.48 -4.58 113.70 115.67 2aff s SER 64 Ca 0.05 0.06 0.22 0.00 0.70 0.00 0.00 55.95 56.97 2aff s SER 64 Cb 0.15 -2.54 0.11 0.00 -1.71 0.00 0.00 66.02 62.03 2aff s SER 64 CO 0.85 -2.12 1.24 0.77 1.20 0.00 0.00 173.24 175.18 2aff h SER 65 N 12.84 0.00 0.10 5.45 4.64 -1.91 -3.17 113.55 131.50 2aff h SER 65 Ca -0.27 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.80 2aff h SER 65 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2aff h SER 65 CO 1.24 0.08 -1.28 0.74 -0.87 0.00 0.00 176.83 176.73 2aff h THR 66 N 0.00 1.09 -2.87 2.95 2.02 -2.00 -3.43 112.91 110.67 2aff h THR 66 Ca -0.01 -2.39 -0.58 0.00 0.77 0.00 0.00 66.41 64.20 2aff h THR 66 Cb 1.07 2.74 -0.40 0.00 -1.74 0.00 0.00 68.15 69.82 2aff h THR 66 CO 0.01 0.67 -0.78 0.20 0.37 0.00 0.00 175.52 175.98 2aff s ASN 67 N -6.96 3.52 0.48 4.18 0.01 -1.26 -5.13 114.94 109.78 2aff s ASN 67 Ca -0.20 -2.02 -0.23 0.00 -0.71 0.00 0.00 52.86 49.70 2aff s ASN 67 Cb 0.04 -0.68 -0.08 0.00 0.41 0.00 0.00 41.25 40.93 2aff s ASN 67 CO 0.75 -0.35 1.12 -2.65 -1.51 0.00 0.00 177.10 174.46 2aff n PRO 68 N 4.31 1.46 -2.47 -0.60 -0.02 -1.20 -4.68 135.00 131.80 2aff n PRO 68 Ca 0.05 0.53 -0.39 0.00 -2.02 0.00 0.00 63.50 61.67 2aff n PRO 68 Cb 0.38 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.58 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 3.51 -0.08 3.45 2.01 -1.26 -4.85 115.64 117.10 2aff s THR 69 Ca 0.67 1.36 -0.03 0.00 0.31 0.00 0.00 61.69 63.99 2aff s THR 69 Cb -0.49 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2aff s THR 69 CO 0.54 0.20 0.05 -1.10 -0.69 0.00 0.00 174.62 173.62 2aff s GLN 70 N -1.92 3.12 -0.06 4.92 -0.21 -0.89 -1.30 119.66 123.33 2aff s GLN 70 Ca 0.51 -0.35 0.03 0.00 0.02 0.00 0.00 55.36 55.57 2aff s GLN 70 Cb -0.28 -2.91 0.01 0.00 1.00 0.00 0.00 33.01 30.82 2aff s GLN 70 CO 0.36 0.71 -0.13 0.08 -2.12 0.00 0.00 175.29 174.20 2aff s VAL 71 N -0.98 1.16 -1.12 1.09 1.01 0.34 0.61 120.40 122.51 2aff s VAL 71 Ca 0.15 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2aff s VAL 71 Cb -0.12 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.24 2aff s VAL 71 CO 0.05 0.36 0.19 0.59 0.00 0.00 0.00 175.10 176.28 2aff n ASN 72 N 3.65 -3.88 -0.57 3.32 3.02 -0.66 0.81 115.26 120.95 2aff n ASN 72 Ca -0.22 -0.01 -0.06 0.00 -0.03 0.00 0.00 54.58 54.27 2aff n ASN 72 Cb 0.52 -3.26 -0.01 0.00 -0.61 0.00 0.00 39.78 36.42 2aff n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aff n GLY 73 N -0.95 0.39 2.88 7.41 0.00 -1.26 -5.04 105.19 108.62 2aff n GLY 73 Ca -0.10 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 2aff n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aff s SER 74 N -2.81 0.53 0.29 1.61 1.04 0.24 -5.09 113.70 109.50 2aff s SER 74 Ca 0.00 -0.06 -0.29 0.00 0.48 0.00 0.00 55.95 56.07 2aff s SER 74 Cb 0.00 -0.19 -0.10 0.00 0.10 0.00 0.00 66.02 65.83 2aff s SER 74 CO 0.00 -0.03 1.30 0.54 0.98 0.00 0.00 173.24 176.03 2aff s VAL 75 N 0.54 2.89 -0.53 5.02 0.11 -1.26 0.13 120.40 127.30 2aff s VAL 75 Ca -0.06 0.84 0.01 0.00 -2.93 0.00 0.00 61.98 59.83 2aff s VAL 75 Cb -0.09 -3.53 0.14 0.00 -1.53 0.00 0.00 36.38 31.36 2aff s VAL 75 CO -0.01 0.18 0.30 0.27 -3.33 0.00 0.00 175.10 172.51 2aff s ILE 76 N -0.72 3.08 0.23 7.04 -4.36 -0.42 -4.88 121.20 121.17 2aff s ILE 76 Ca 0.51 -2.94 0.34 0.00 -0.26 0.00 0.00 60.65 58.30 2aff s ILE 76 Cb -0.39 -3.08 0.38 0.00 1.25 0.00 0.00 42.46 40.62 2aff s ILE 76 CO 0.47 -0.80 2.04 0.44 0.24 0.00 0.00 174.94 177.34 2aff h ASP 77 N 6.99 0.00 -2.11 4.36 3.32 -1.94 -3.43 116.42 123.61 2aff h ASP 77 Ca -0.05 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.41 2aff h ASP 77 Cb 0.95 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.36 2aff h ASP 77 CO 0.68 0.04 -0.63 -1.61 -1.72 0.00 0.00 179.24 176.00 2aff s GLU 78 N -3.79 1.83 0.60 3.56 2.02 -1.26 -4.86 118.70 116.80 2aff s GLU 78 Ca -0.00 -2.00 -0.17 0.00 0.02 0.00 0.00 54.97 52.81 2aff s GLU 78 Cb 0.10 -1.49 -0.03 0.00 0.10 0.00 0.00 34.13 32.82 2aff s GLU 78 CO 0.54 -0.01 1.12 -1.25 0.02 0.00 0.00 175.26 175.67 2aff s PRO 79 N -3.72 3.08 -0.02 0.39 0.04 -1.26 -4.60 135.00 128.91 2aff s PRO 79 Ca 0.34 1.51 -0.04 0.00 0.04 0.00 0.00 61.00 62.85 2aff s PRO 79 Cb 0.07 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2aff s PRO 79 CO 0.17 -1.05 0.10 0.54 0.04 0.00 0.00 177.00 176.79 2aff s VAL 80 N -2.04 0.05 0.03 -0.36 0.11 -0.28 -4.97 120.40 112.94 2aff s VAL 80 Ca 0.70 -0.39 -0.30 0.00 -2.93 0.00 0.00 61.98 59.05 2aff s VAL 80 Cb -0.22 -0.27 -0.05 0.00 -1.53 0.00 0.00 36.38 34.30 2aff s VAL 80 CO 0.34 -0.22 1.26 -0.13 -3.33 0.00 0.00 175.10 173.02 2aff s ARG 81 N -0.70 4.38 0.17 1.54 0.52 -1.26 -0.17 118.95 123.43 2aff s ARG 81 Ca -0.08 1.82 -0.30 0.00 -0.52 0.00 0.00 55.73 56.66 2aff s ARG 81 Cb -0.05 -3.42 -0.07 0.00 0.52 0.00 0.00 34.95 31.93 2aff s ARG 81 CO 0.00 -0.37 0.93 -0.51 0.02 0.00 0.00 175.30 175.38 2aff s LEU 82 N 1.54 4.57 0.10 2.53 1.43 0.44 -4.90 118.68 124.39 2aff s LEU 82 Ca 0.60 1.84 0.05 0.00 -1.03 0.00 0.00 54.13 55.59 2aff s LEU 82 Cb -0.30 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.32 2aff s LEU 82 CO 0.27 0.06 -0.13 -0.54 0.23 0.00 0.00 176.35 176.24 2aff s LYS 83 N -0.60 0.92 -0.04 1.70 -0.14 -1.26 -4.49 119.74 115.83 2aff s LYS 83 Ca 0.43 -1.14 -0.31 0.00 -1.36 0.00 0.00 55.97 53.59 2aff s LYS 83 Cb -0.24 -0.80 -0.10 0.00 -1.68 0.00 0.00 37.83 35.01 2aff s LYS 83 CO 0.30 0.15 1.98 1.58 -0.76 0.00 0.00 175.35 178.61 2aff n HIS 84 N 0.76 2.39 0.00 3.18 -0.00 -1.26 -0.98 115.22 119.30 2aff n HIS 84 Ca -0.17 -0.23 0.00 0.00 -0.00 0.00 0.00 57.72 57.32 2aff n HIS 84 Cb 0.56 -2.75 0.00 0.00 -0.00 0.00 0.00 29.99 27.80 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 4.67 0.91 3.68 1.57 0.00 -1.01 -5.02 105.19 109.99 2aff n GLY 85 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2aff n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aff s ASP 86 N -1.76 7.14 -0.15 1.61 -1.08 -0.15 -4.88 116.67 117.40 2aff s ASP 86 Ca 0.00 1.41 -0.06 0.00 -0.52 0.00 0.00 52.55 53.38 2aff s ASP 86 Cb 0.00 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.90 2aff s ASP 86 CO 0.00 -0.48 0.06 -0.69 0.52 0.00 0.00 175.17 174.58 2aff s VAL 87 N 2.29 4.76 -0.18 1.11 1.01 -1.26 -1.92 120.40 126.21 2aff s VAL 87 Ca 0.45 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.30 2aff s VAL 87 Cb -0.17 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2aff s VAL 87 CO 0.14 0.53 0.07 -0.63 0.00 0.00 0.00 175.10 175.20 2aff s ILE 88 N -0.19 4.85 -0.12 2.22 1.01 -0.78 -1.65 121.20 126.54 2aff s ILE 88 Ca 0.07 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.74 2aff s ILE 88 Cb -0.12 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.16 2aff s ILE 88 CO 0.01 0.46 -0.22 -0.89 0.00 0.00 0.00 174.94 174.31 2aff s THR 89 N 0.37 2.21 -0.15 2.92 2.01 0.20 -0.13 115.64 123.07 2aff s THR 89 Ca 0.04 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.10 2aff s THR 89 Cb -0.12 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.52 2aff s THR 89 CO -0.00 0.55 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.66 2aff s ILE 90 N 0.53 2.37 0.00 1.82 1.01 0.58 -2.08 121.20 125.43 2aff s ILE 90 Ca -0.13 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.64 2aff s ILE 90 Cb -0.17 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.32 2aff s ILE 90 CO 0.05 0.53 0.00 -0.38 0.00 0.00 0.00 174.94 175.14 2aff n ILE 91 N 4.06 0.00 -0.38 2.92 2.08 -1.26 0.19 119.36 126.97 2aff n ILE 91 Ca -0.19 0.00 0.07 0.00 0.56 0.00 0.00 62.75 63.19 2aff n ILE 91 Cb 0.52 0.00 0.22 0.00 -0.75 0.00 0.00 39.64 39.62 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 3.30 3.42 -4.10 4.38 5.68 -1.26 -4.98 116.55 122.99 2aff n ASP 92 Ca 0.00 -2.21 -0.17 0.00 -0.50 0.00 0.00 54.79 51.92 2aff n ASP 92 Cb 0.00 -0.35 -0.12 0.00 -1.14 0.00 0.00 41.12 39.50 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2aff s ARG 93 N -1.38 0.71 0.06 0.11 0.52 0.50 -4.49 118.95 114.98 2aff s ARG 93 Ca 0.33 -0.76 -0.00 0.00 -0.52 0.00 0.00 55.73 54.78 2aff s ARG 93 Cb 0.20 -0.63 -0.04 0.00 0.52 0.00 0.00 34.95 35.00 2aff s ARG 93 CO 0.18 0.14 -0.04 -1.12 0.02 0.00 0.00 175.30 174.48 2aff s SER 94 N -1.37 0.63 -0.12 0.23 0.01 -1.26 0.22 113.70 112.04 2aff s SER 94 Ca -0.03 -0.92 0.01 0.00 1.31 0.00 0.00 55.95 56.32 2aff s SER 94 Cb -0.09 0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.32 2aff s SER 94 CO 0.01 -0.51 -0.13 -0.36 0.41 0.00 0.00 173.24 172.66 2aff s PHE 95 N -3.42 1.93 0.11 2.43 0.40 0.82 -1.39 117.98 118.86 2aff s PHE 95 Ca 0.04 -0.97 -0.29 0.00 -0.60 0.00 0.00 56.93 55.12 2aff s PHE 95 Cb 0.04 -1.43 -0.06 0.00 0.51 0.00 0.00 43.02 42.08 2aff s PHE 95 CO -0.07 -0.54 0.90 1.03 0.70 0.00 0.00 175.22 177.24 2aff s ARG 96 N 1.26 4.66 -0.24 0.44 0.52 -0.66 -1.87 118.95 123.05 2aff s ARG 96 Ca -0.01 1.35 -0.15 0.00 -0.52 0.00 0.00 55.73 56.39 2aff s ARG 96 Cb -0.14 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 2aff s ARG 96 CO -0.05 0.29 0.38 -0.47 0.02 0.00 0.00 175.30 175.46 2aff s TYR 97 N -0.21 3.29 -0.08 -0.53 5.04 -0.81 -2.32 117.35 121.73 2aff s TYR 97 Ca 0.44 0.49 -0.01 0.00 -2.44 0.00 0.00 57.07 55.55 2aff s TYR 97 Cb -0.23 -2.55 0.03 0.00 0.35 0.00 0.00 41.96 39.55 2aff s TYR 97 CO 0.28 -0.14 -0.01 -1.21 -1.34 0.00 0.00 175.55 173.13 2aff s GLU 98 N 1.78 0.74 0.18 4.97 2.02 -0.89 -2.40 118.70 125.10 2aff s GLU 98 Ca 0.17 0.05 -0.09 0.00 0.02 0.00 0.00 54.97 55.11 2aff s GLU 98 Cb -0.15 -1.07 0.07 0.00 0.10 0.00 0.00 34.13 33.08 2aff s GLU 98 CO 0.09 -0.30 1.65 -0.91 0.02 0.00 0.00 175.26 175.81 2aff h ASN 99 N 8.31 1.04 0.00 -0.19 2.35 -1.84 -0.99 115.58 124.25 2aff h ASN 99 Ca -0.21 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 2aff h ASN 99 Cb 1.13 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.22 2aff h ASN 99 CO 0.28 1.07 0.00 -0.62 -1.65 0.00 0.00 177.43 176.52