#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 0.99 -3.01 3.45 -2.24 -1.26 -4.87 114.28 107.34 2aff n THR 4 Ca 0.00 -0.35 -0.41 0.00 -2.27 0.00 0.00 64.05 61.02 2aff n THR 4 Cb 0.00 -1.25 -0.05 0.00 -2.10 0.00 0.00 70.33 66.93 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 -2.34 4.20 -0.05 -0.78 0.52 -1.26 0.11 118.95 119.35 2aff s ARG 5 Ca -0.24 0.77 0.04 0.00 -0.52 0.00 0.00 55.73 55.78 2aff s ARG 5 Cb 0.07 -3.61 -0.00 0.00 0.52 0.00 0.00 34.95 31.93 2aff s ARG 5 CO 0.38 -0.37 -0.17 1.03 0.02 0.00 0.00 175.30 176.19 2aff s ARG 6 N 2.35 1.78 -0.11 3.54 0.52 0.02 -1.97 118.95 125.07 2aff s ARG 6 Ca 0.32 -0.59 0.01 0.00 -0.52 0.00 0.00 55.73 54.95 2aff s ARG 6 Cb -0.16 -1.54 -0.01 0.00 0.52 0.00 0.00 34.95 33.76 2aff s ARG 6 CO 0.09 0.22 -0.16 -1.17 0.02 0.00 0.00 175.30 174.30 2aff s LEU 7 N 0.10 2.53 -0.14 2.53 2.96 -0.84 -1.53 118.68 124.29 2aff s LEU 7 Ca -0.05 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.44 2aff s LEU 7 Cb -0.12 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 2aff s LEU 7 CO 0.02 0.18 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.51 2aff s VAL 8 N 0.25 3.93 -0.37 1.68 1.01 -0.78 0.73 120.40 126.84 2aff s VAL 8 Ca -0.11 -0.35 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 2aff s VAL 8 Cb -0.16 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.52 2aff s VAL 8 CO 0.06 0.51 0.58 -0.89 0.00 0.00 0.00 175.10 175.37 2aff s THR 9 N 0.14 4.93 0.33 3.92 2.01 -0.84 -1.97 115.64 124.16 2aff s THR 9 Ca -0.01 0.40 -0.23 0.00 0.31 0.00 0.00 61.69 62.16 2aff s THR 9 Cb -0.14 -4.05 -0.10 0.00 0.01 0.00 0.00 72.50 68.23 2aff s THR 9 CO 0.03 -0.32 0.90 -0.63 -0.69 0.00 0.00 174.62 173.90 2aff s ILE 10 N 2.59 4.34 0.34 1.82 1.01 -0.83 -2.08 121.20 128.39 2aff s ILE 10 Ca 0.22 1.60 -0.02 0.00 0.00 0.00 0.00 60.65 62.44 2aff s ILE 10 Cb -0.15 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 2aff s ILE 10 CO 0.15 0.02 0.58 -0.54 0.00 0.00 0.00 174.94 175.15 2aff s LYS 11 N -2.37 3.55 0.64 2.79 1.02 -0.47 -4.46 119.74 120.45 2aff s LYS 11 Ca 0.52 -0.13 0.39 0.00 0.02 0.00 0.00 55.97 56.77 2aff s LYS 11 Cb -0.15 -2.63 2.21 0.00 -0.52 0.00 0.00 37.83 36.74 2aff s LYS 11 CO 0.20 0.14 2.33 0.00 -0.92 0.00 0.00 175.35 177.10 2aff h ARG 12 N 1.09 0.00 0.00 1.68 3.08 -1.90 0.45 114.38 118.79 2aff h ARG 12 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2aff h ARG 12 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2aff h ARG 12 CO 0.63 0.00 -0.05 0.43 -1.07 0.00 0.00 179.97 179.92 2aff n SER 13 N -3.36 0.36 -0.15 7.04 7.64 -1.26 -4.90 113.62 118.98 2aff n SER 13 Ca -0.03 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.33 2aff n SER 13 Cb 0.08 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aff n GLY 14 N 1.42 1.04 3.24 0.23 0.00 0.16 -5.09 105.19 106.19 2aff n GLY 14 Ca 0.06 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.30 1.98 -0.08 1.61 1.01 -1.25 -4.87 120.40 116.50 2aff s VAL 15 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 2aff s VAL 15 Cb 0.00 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 2aff s VAL 15 CO 0.00 0.55 1.70 -0.62 0.00 0.00 0.00 175.10 176.73 2aff s ASP 16 N -0.05 6.55 0.00 3.32 -1.08 -1.26 -1.36 116.67 122.79 2aff s ASP 16 Ca -0.06 2.17 0.00 0.00 -0.52 0.00 0.00 52.55 54.13 2aff s ASP 16 Cb -0.14 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 2aff s ASP 16 CO 0.04 -1.04 0.00 0.61 0.52 0.00 0.00 175.17 175.31 2aff n GLY 17 N 4.33 1.33 3.79 2.66 0.00 -0.88 -4.96 105.19 111.45 2aff n GLY 17 Ca 0.18 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 4.08 3.87 -0.10 1.61 0.04 -1.26 -4.77 135.00 138.48 2aff s PRO 18 Ca 0.00 1.48 -0.04 0.00 0.04 0.00 0.00 61.00 62.48 2aff s PRO 18 Cb 0.00 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2aff s PRO 18 CO 0.00 -0.39 0.06 -1.01 0.04 0.00 0.00 177.00 175.70 2aff s HIS 19 N -1.81 3.34 -0.47 0.56 3.76 -1.26 -1.99 115.29 117.42 2aff s HIS 19 Ca 0.64 0.33 -0.04 0.00 -0.15 0.00 0.00 55.06 55.85 2aff s HIS 19 Cb -0.20 -1.85 0.12 0.00 1.11 0.00 0.00 32.58 31.76 2aff s HIS 19 CO 0.24 0.58 0.29 0.12 -0.85 0.00 0.00 174.74 175.12 2aff s PHE 20 N -0.95 3.53 0.02 1.40 5.36 0.22 -4.98 117.98 122.58 2aff s PHE 20 Ca 0.14 -2.38 -0.30 0.00 -0.96 0.00 0.00 56.93 53.43 2aff s PHE 20 Cb -0.12 -3.28 -0.05 0.00 -0.34 0.00 0.00 43.02 39.23 2aff s PHE 20 CO 0.03 -0.95 1.30 -1.25 -1.46 0.00 0.00 175.22 172.89 2aff s PRO 21 N 0.91 4.34 -1.22 10.12 0.04 -1.26 -1.99 135.00 145.94 2aff s PRO 21 Ca 0.10 1.86 -0.17 0.00 0.04 0.00 0.00 61.00 62.83 2aff s PRO 21 Cb -0.23 -3.47 0.11 0.00 0.04 0.00 0.00 34.50 30.96 2aff s PRO 21 CO -0.03 -0.45 1.56 -0.51 0.04 0.00 0.00 177.00 177.61 2aff s LEU 22 N 1.85 4.38 0.00 -3.56 1.43 -0.83 -4.65 118.68 117.29 2aff s LEU 22 Ca 0.61 -2.58 0.27 0.00 -1.03 0.00 0.00 54.13 51.39 2aff s LEU 22 Cb -0.30 -2.50 0.79 0.00 0.03 0.00 0.00 46.19 44.21 2aff s LEU 22 CO 0.27 -1.01 1.61 -1.54 0.23 0.00 0.00 176.35 175.90 2aff n SER 23 N 7.20 0.38 -4.83 2.29 3.41 -1.26 -4.63 113.62 116.18 2aff n SER 23 Ca 0.41 -0.10 -0.33 0.00 -0.26 0.00 0.00 58.87 58.59 2aff n SER 23 Cb 0.45 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 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 -2.93 4.09 0.38 1.04 1.43 -1.26 -4.99 118.68 116.44 2aff s LEU 24 Ca 0.14 0.24 0.27 0.00 -1.03 0.00 0.00 54.13 53.75 2aff s LEU 24 Cb 0.18 -2.38 1.31 0.00 0.03 0.00 0.00 46.19 45.33 2aff s LEU 24 CO 0.62 0.28 1.82 -1.28 0.23 0.00 0.00 176.35 178.02 2aff h SER 25 N 4.05 0.00 -3.61 2.29 0.87 -1.90 -3.42 113.55 111.83 2aff h SER 25 Ca -0.49 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 59.65 2aff h SER 25 Cb 1.19 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.82 2aff h SER 25 CO 0.64 0.00 -0.78 -0.89 -0.53 0.00 0.00 176.83 175.27 2aff s THR 26 N -3.56 0.68 -0.18 2.23 2.01 -1.26 -1.41 115.64 114.15 2aff s THR 26 Ca 0.00 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.75 2aff s THR 26 Cb 0.09 -0.65 0.03 0.00 0.01 0.00 0.00 72.50 71.98 2aff s THR 26 CO 0.35 0.24 -0.14 0.00 -0.69 0.00 0.00 174.62 174.38 2aff s LEU 28 N 1.40 2.56 -0.04 0.00 2.96 -1.26 -0.01 118.68 124.29 2aff s LEU 28 Ca 0.02 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 2aff s LEU 28 Cb -0.14 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 2aff s LEU 28 CO -0.10 0.12 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.69 2aff s PHE 29 N 0.62 3.10 -5.00 5.38 0.40 0.13 0.25 117.98 122.86 2aff s PHE 29 Ca -0.08 0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 2aff s PHE 29 Cb -0.16 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.66 2aff s PHE 29 CO 0.03 0.46 0.00 0.41 0.70 0.00 0.00 175.22 176.82 2aff n GLY 30 N 1.72 -0.71 0.08 4.36 0.00 -0.86 -2.29 105.19 107.49 2aff n GLY 30 Ca -0.16 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 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 2.39 0.06 -6.73 1.61 3.08 -0.99 -2.87 114.38 110.93 2aff h ARG 31 Ca 0.00 -0.10 -0.57 0.00 0.07 0.00 0.00 59.98 59.38 2aff h ARG 31 Cb 0.00 0.04 0.16 0.00 0.08 0.00 0.00 29.97 30.25 2aff h ARG 31 CO 0.00 0.87 0.03 0.41 -1.07 0.00 0.00 179.97 180.21 2aff n GLY 32 N 1.48 -0.54 0.22 0.04 0.00 -0.93 -4.84 105.19 100.63 2aff n GLY 32 Ca -0.09 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 0.62 1.29 0.00 -0.61 6.09 -1.91 -2.12 117.51 120.87 2aff h ILE 33 Ca -0.47 -1.29 0.00 0.00 -1.37 0.00 0.00 64.86 61.73 2aff h ILE 33 Cb 1.37 1.39 0.00 0.00 0.47 0.00 0.00 36.82 40.04 2aff h ILE 33 CO 0.51 0.42 0.34 -0.08 -3.07 0.00 0.00 178.15 176.27 2aff h GLU 34 N 0.50 0.00 -6.42 2.19 4.57 -1.96 -3.40 114.58 110.06 2aff h GLU 34 Ca 0.08 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.72 2aff h GLU 34 Cb 0.71 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.31 2aff h GLU 34 CO 0.05 0.00 0.95 0.00 -1.18 0.00 0.00 179.01 178.83 2aff h ASP 36 N 8.19 0.00 -3.19 0.00 3.32 -0.42 -3.38 116.42 120.94 2aff h ASP 36 Ca -0.41 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.10 2aff h ASP 36 Cb 1.19 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.38 2aff h ASP 36 CO 0.92 0.00 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.00 2aff s ILE 37 N -4.83 1.15 -0.15 0.35 1.01 -0.23 -4.95 121.20 113.53 2aff s ILE 37 Ca -0.05 -0.38 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 2aff s ILE 37 Cb 0.16 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 2aff s ILE 37 CO 0.60 0.38 0.13 -0.13 0.00 0.00 0.00 174.94 175.93 2aff s ARG 38 N 1.55 3.76 -0.09 2.79 0.52 -1.26 -2.02 118.95 124.20 2aff s ARG 38 Ca 0.03 -0.19 0.05 0.00 -0.52 0.00 0.00 55.73 55.10 2aff s ARG 38 Cb -0.13 -3.27 -0.00 0.00 0.52 0.00 0.00 34.95 32.07 2aff s ARG 38 CO -0.07 0.56 -0.24 0.42 0.02 0.00 0.00 175.30 175.98 2aff s ILE 39 N -0.39 2.06 -0.18 1.52 1.01 -1.08 -4.97 121.20 119.16 2aff s ILE 39 Ca 0.12 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.73 2aff s ILE 39 Cb -0.12 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.59 2aff s ILE 39 CO 0.01 0.56 0.86 0.00 0.00 0.00 0.00 174.94 176.37 2aff n GLN 40 N 3.33 0.94 -3.58 2.79 6.02 -1.26 -4.64 117.38 120.97 2aff n GLN 40 Ca -0.18 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.40 2aff n GLN 40 Cb 0.53 -1.11 -0.10 0.00 1.02 0.00 0.00 30.24 30.58 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 5.23 0.00 1.08 1.43 -1.26 -4.94 118.68 120.21 2aff s LEU 41 Ca 0.00 -1.50 0.00 0.00 -1.03 0.00 0.00 54.13 51.60 2aff s LEU 41 Cb 0.00 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.21 2aff s LEU 41 CO 0.00 -0.56 0.78 -2.65 0.23 0.00 0.00 176.35 174.16 2aff n PRO 42 N 4.95 0.00 -0.11 1.29 -0.02 -1.26 0.16 135.00 140.00 2aff n PRO 42 Ca -0.10 0.30 0.12 0.00 -2.02 0.00 0.00 63.50 61.80 2aff n PRO 42 Cb 0.43 -1.63 0.28 0.00 -0.02 0.00 0.00 33.50 32.55 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 -1.28 0.29 -3.60 -1.45 0.24 -1.26 -4.88 118.33 106.38 2aff n VAL 43 Ca 0.00 -0.53 -0.37 0.00 -2.04 0.00 0.00 64.34 61.39 2aff n VAL 43 Cb 0.13 0.81 -0.06 0.00 -1.47 0.00 0.00 33.84 33.26 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 -1.71 5.20 0.90 3.34 0.11 0.12 -4.90 120.40 123.46 2aff s VAL 44 Ca 0.35 0.63 -0.11 0.00 -2.93 0.00 0.00 61.98 59.92 2aff s VAL 44 Cb 0.20 -3.62 0.13 0.00 -1.53 0.00 0.00 36.38 31.56 2aff s VAL 44 CO 0.30 0.55 1.10 -0.44 -3.33 0.00 0.00 175.10 173.28 2aff s SER 45 N -0.79 3.30 0.21 3.54 0.01 -1.26 -4.58 113.70 114.13 2aff s SER 45 Ca 0.20 1.80 -0.08 0.00 1.31 0.00 0.00 55.95 59.18 2aff s SER 45 Cb -0.15 -2.41 0.15 0.00 0.21 0.00 0.00 66.02 63.82 2aff s SER 45 CO 0.09 -2.80 1.78 0.11 0.41 0.00 0.00 173.24 172.84 2aff h LYS 46 N -1.66 1.15 0.00 12.44 1.57 -1.93 -2.27 116.57 125.87 2aff h LYS 46 Ca -0.47 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 2aff h LYS 46 Cb 1.27 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2aff h LYS 46 CO 0.49 0.92 -0.86 1.04 -0.57 0.00 0.00 179.45 180.47 2aff n GLN 47 N -4.32 2.34 0.00 3.15 1.13 -1.26 -2.18 117.38 116.23 2aff n GLN 47 Ca 0.07 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 2aff n GLN 47 Cb 0.17 -1.11 0.00 0.00 0.11 0.00 0.00 30.24 29.41 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 -1.47 0.00 -3.76 1.08 -0.00 -0.97 -3.96 115.22 106.13 2aff n HIS 48 Ca 0.01 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.06 2aff n HIS 48 Cb 0.22 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.00 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 -1.30 0.52 -0.14 0.00 2.20 -0.39 0.19 119.74 120.82 2aff s LYS 50 Ca -0.13 -0.11 -0.05 0.00 -0.36 0.00 0.00 55.97 55.32 2aff s LYS 50 Cb -0.05 -0.55 -0.04 0.00 -1.51 0.00 0.00 37.83 35.68 2aff s LYS 50 CO 0.04 0.01 0.02 0.42 -0.36 0.00 0.00 175.35 175.48 2aff s ILE 51 N 0.41 4.46 -0.22 5.43 1.01 0.98 0.80 121.20 134.07 2aff s ILE 51 Ca -0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 2aff s ILE 51 Cb -0.08 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 2aff s ILE 51 CO -0.00 0.52 -0.04 -1.61 0.00 0.00 0.00 174.94 173.81 2aff s GLU 52 N -0.07 3.39 -0.38 2.79 2.02 0.15 -2.25 118.70 124.36 2aff s GLU 52 Ca 0.05 -0.62 -0.11 0.00 0.02 0.00 0.00 54.97 54.31 2aff s GLU 52 Cb -0.12 -3.01 0.03 0.00 0.10 0.00 0.00 34.13 31.12 2aff s GLU 52 CO 0.02 -0.18 0.21 0.42 0.02 0.00 0.00 175.26 175.74 2aff s ILE 53 N 1.44 4.57 0.01 -1.63 1.01 -0.50 -0.22 121.20 125.89 2aff s ILE 53 Ca 0.05 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.87 2aff s ILE 53 Cb -0.14 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 2aff s ILE 53 CO -0.03 -0.25 -0.09 -1.00 0.00 0.00 0.00 174.94 173.57 2aff s HIS 54 N 1.55 2.81 0.57 3.97 3.76 0.56 -4.90 115.29 123.61 2aff s HIS 54 Ca 0.02 -0.09 0.41 0.00 -0.15 0.00 0.00 55.06 55.25 2aff s HIS 54 Cb -0.19 -1.57 1.46 0.00 1.11 0.00 0.00 32.58 33.39 2aff s HIS 54 CO 0.07 0.34 1.52 1.49 -0.85 0.00 0.00 174.74 177.31 2aff h GLU 55 N 4.54 0.00 0.08 1.40 4.81 -2.02 0.32 114.58 123.72 2aff h GLU 55 Ca -0.48 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2aff h GLU 55 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2aff h GLU 55 CO 0.52 0.00 -0.04 1.96 -0.73 0.00 0.00 179.01 180.72 2aff h GLN 56 N 0.00 -0.10 0.00 1.92 1.08 -2.00 -3.49 115.11 112.51 2aff h GLN 56 Ca 0.75 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.95 2aff h GLN 56 Cb 3.31 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 30.77 2aff h GLN 56 CO -0.01 -0.07 0.00 -0.85 -0.95 0.00 0.00 178.83 176.95 2aff n GLU 57 N -2.40 0.00 -4.06 1.46 0.00 0.11 -5.15 120.64 110.60 2aff n GLU 57 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.80 2aff n GLU 57 Cb 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.36 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2aff s ALA 58 N -1.06 3.04 -0.13 -1.84 0.00 -1.26 -0.33 121.76 120.18 2aff s ALA 58 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.98 2aff s ALA 58 Cb 0.00 -1.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 2aff s ALA 58 CO 0.00 -0.15 -0.16 0.42 0.00 0.00 0.00 175.76 175.87 2aff s ILE 59 N 1.00 2.80 -0.22 0.00 1.01 0.70 0.80 121.20 127.30 2aff s ILE 59 Ca 0.02 -0.75 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 2aff s ILE 59 Cb -0.14 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 2aff s ILE 59 CO 0.02 0.53 0.40 -0.22 0.00 0.00 0.00 174.94 175.66 2aff s LEU 60 N 0.42 4.13 -0.14 2.97 2.96 0.10 0.33 118.68 129.44 2aff s LEU 60 Ca -0.12 0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 54.24 2aff s LEU 60 Cb -0.16 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 43.99 2aff s LEU 60 CO 0.06 -0.10 -0.03 -1.00 -1.32 0.00 0.00 176.35 173.95 2aff s HIS 61 N 1.48 3.04 -0.51 5.38 3.76 0.24 -2.07 115.29 126.60 2aff s HIS 61 Ca 0.18 -0.20 -0.19 0.00 -0.15 0.00 0.00 55.06 54.70 2aff s HIS 61 Cb -0.15 -1.92 0.06 0.00 1.11 0.00 0.00 32.58 31.69 2aff s HIS 61 CO 0.08 0.07 0.63 1.21 -0.85 0.00 0.00 174.74 175.88 2aff s ASN 62 N 0.10 6.22 0.00 1.40 2.47 -1.26 -1.26 114.94 122.61 2aff s ASN 62 Ca -0.00 -0.96 0.24 0.00 0.42 0.00 0.00 52.86 52.55 2aff s ASN 62 Cb -0.13 -2.29 0.20 0.00 -1.45 0.00 0.00 41.25 37.58 2aff s ASN 62 CO 0.03 -0.91 1.21 0.49 -3.72 0.00 0.00 177.10 174.20 2aff n PHE 63 N 6.17 0.00 -2.77 0.43 3.01 -0.71 -4.79 117.46 118.81 2aff n PHE 63 Ca -0.07 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.97 2aff n PHE 63 Cb 0.45 -0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 39.83 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 -2.66 6.27 0.12 4.37 0.15 -0.02 -4.64 113.70 117.29 2aff s SER 64 Ca 0.17 -1.06 -0.00 0.00 0.70 0.00 0.00 55.95 55.75 2aff s SER 64 Cb 0.18 -2.46 -0.15 0.00 -1.71 0.00 0.00 66.02 61.87 2aff s SER 64 CO 0.64 -1.49 1.26 0.77 1.20 0.00 0.00 173.24 175.62 2aff h SER 65 N 9.60 0.32 -0.29 5.45 4.64 -1.90 -2.92 113.55 128.44 2aff h SER 65 Ca -0.17 -0.30 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 2aff h SER 65 Cb 1.05 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 2aff h SER 65 CO 1.22 1.17 0.10 0.74 -0.87 0.00 0.00 176.83 179.19 2aff h THR 66 N 0.10 1.19 -2.49 2.95 2.02 -1.99 -3.40 112.91 111.28 2aff h THR 66 Ca -0.08 -0.60 -0.48 0.00 0.77 0.00 0.00 66.41 66.02 2aff h THR 66 Cb 1.73 1.04 -0.37 0.00 -1.74 0.00 0.00 68.15 68.81 2aff h THR 66 CO 0.16 0.20 -0.76 0.20 0.37 0.00 0.00 175.52 175.70 2aff s ASN 67 N -5.76 2.70 0.45 4.18 0.01 -1.24 -5.14 114.94 110.15 2aff s ASN 67 Ca -0.13 -1.47 -0.24 0.00 -0.71 0.00 0.00 52.86 50.31 2aff s ASN 67 Cb 0.09 -0.07 -0.09 0.00 0.41 0.00 0.00 41.25 41.58 2aff s ASN 67 CO 0.73 -0.37 1.09 -2.65 -1.51 0.00 0.00 177.10 174.39 2aff n PRO 68 N 4.80 1.45 -2.36 -0.60 -0.02 -1.10 -4.69 135.00 132.48 2aff n PRO 68 Ca 0.02 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 2aff n PRO 68 Cb 0.42 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 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 -1.29 3.34 -0.12 3.45 2.01 -1.26 -4.79 115.64 116.98 2aff s THR 69 Ca 0.65 1.26 -0.06 0.00 0.31 0.00 0.00 61.69 63.84 2aff s THR 69 Cb -0.51 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 2aff s THR 69 CO 0.55 0.26 0.12 -1.10 -0.69 0.00 0.00 174.62 173.77 2aff s GLN 70 N -1.04 3.43 -0.03 4.92 -0.21 -0.65 -1.85 119.66 124.23 2aff s GLN 70 Ca 0.49 -0.18 0.03 0.00 0.02 0.00 0.00 55.36 55.72 2aff s GLN 70 Cb -0.34 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.52 2aff s GLN 70 CO 0.42 0.74 -0.12 0.08 -2.12 0.00 0.00 175.29 174.28 2aff s VAL 71 N -0.91 1.02 -1.25 1.09 1.01 0.23 0.19 120.40 121.78 2aff s VAL 71 Ca 0.14 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 2aff s VAL 71 Cb -0.12 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.40 2aff s VAL 71 CO 0.03 0.31 0.28 0.59 0.00 0.00 0.00 175.10 176.31 2aff n ASN 72 N 3.26 -4.25 -0.87 3.32 3.02 -0.78 0.10 115.26 119.07 2aff n ASN 72 Ca -0.18 -0.11 -0.08 0.00 -0.03 0.00 0.00 54.58 54.18 2aff n ASN 72 Cb 0.54 -3.54 -0.01 0.00 -0.61 0.00 0.00 39.78 36.16 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 -1.06 0.24 2.93 7.41 0.00 -1.26 -5.03 105.19 108.42 2aff n GLY 73 Ca -0.10 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.69 -0.07 0.40 1.61 0.15 0.12 -5.09 113.70 108.12 2aff s SER 74 Ca 0.00 0.17 -0.25 0.00 0.70 0.00 0.00 55.95 56.57 2aff s SER 74 Cb 0.00 0.14 -0.08 0.00 -1.71 0.00 0.00 66.02 64.37 2aff s SER 74 CO 0.00 -0.06 1.21 0.54 1.20 0.00 0.00 173.24 176.13 2aff s VAL 75 N 0.34 3.00 -0.33 4.45 0.11 -1.26 0.75 120.40 127.46 2aff s VAL 75 Ca -0.02 0.86 -0.03 0.00 -2.93 0.00 0.00 61.98 59.86 2aff s VAL 75 Cb -0.04 -3.49 0.06 0.00 -1.53 0.00 0.00 36.38 31.38 2aff s VAL 75 CO -0.01 0.09 0.06 0.27 -3.33 0.00 0.00 175.10 172.18 2aff s ILE 76 N -1.36 3.19 0.28 7.04 -4.36 -0.77 -4.89 121.20 120.32 2aff s ILE 76 Ca 0.57 -1.46 0.07 0.00 -0.26 0.00 0.00 60.65 59.57 2aff s ILE 76 Cb -0.33 -2.90 -0.00 0.00 1.25 0.00 0.00 42.46 40.48 2aff s ILE 76 CO 0.42 -0.23 1.64 -0.78 0.24 0.00 0.00 174.94 176.23 2aff h ASP 77 N 8.05 0.16 -4.86 4.36 3.58 -1.95 -3.42 116.42 122.33 2aff h ASP 77 Ca -0.20 -0.08 -0.56 0.00 0.42 0.00 0.00 57.03 56.61 2aff h ASP 77 Cb 1.06 -0.05 -0.12 0.00 1.72 0.00 0.00 39.33 41.94 2aff h ASP 77 CO 0.58 0.67 -0.46 -0.62 -2.88 0.00 0.00 179.24 176.52 2aff n GLU 78 N -3.92 0.61 -1.88 0.28 4.71 -1.26 -4.97 120.64 114.21 2aff n GLU 78 Ca -0.02 -3.41 -0.38 0.00 -0.01 0.00 0.00 57.16 53.34 2aff n GLU 78 Cb 0.56 1.74 0.03 0.00 -1.01 0.00 0.00 31.44 32.76 2aff n GLU 78 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 2aff s PRO 79 N -3.56 3.19 0.00 3.49 0.02 -1.26 -4.73 135.00 132.16 2aff s PRO 79 Ca 0.18 2.11 -0.00 0.00 0.02 0.00 0.00 61.00 63.31 2aff s PRO 79 Cb 0.01 -2.23 -0.00 0.00 0.02 0.00 0.00 34.50 32.30 2aff s PRO 79 CO 0.13 -1.11 -0.00 0.54 -0.33 0.00 0.00 177.00 176.23 2aff s VAL 80 N -1.37 0.02 0.11 3.83 0.11 -0.88 -4.99 120.40 117.23 2aff s VAL 80 Ca 0.71 -0.15 -0.30 0.00 -2.93 0.00 0.00 61.98 59.31 2aff s VAL 80 Cb -0.37 -0.06 -0.06 0.00 -1.53 0.00 0.00 36.38 34.36 2aff s VAL 80 CO 0.44 -0.08 1.08 -0.13 -3.33 0.00 0.00 175.10 173.08 2aff s ARG 81 N -0.24 4.57 0.06 1.54 0.52 -1.26 -0.73 118.95 123.41 2aff s ARG 81 Ca -0.03 1.65 -0.20 0.00 -0.52 0.00 0.00 55.73 56.63 2aff s ARG 81 Cb -0.02 -3.34 -0.07 0.00 0.52 0.00 0.00 34.95 32.05 2aff s ARG 81 CO -0.00 0.00 0.58 -0.51 0.02 0.00 0.00 175.30 175.39 2aff s LEU 82 N 0.22 4.51 0.11 2.53 1.43 0.24 -4.91 118.68 122.81 2aff s LEU 82 Ca 0.52 1.27 0.09 0.00 -1.03 0.00 0.00 54.13 54.97 2aff s LEU 82 Cb -0.27 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 2aff s LEU 82 CO 0.32 0.24 -0.23 -0.54 0.23 0.00 0.00 176.35 176.37 2aff s LYS 83 N -0.96 1.24 -0.06 1.70 1.02 -1.26 -4.41 119.74 117.01 2aff s LYS 83 Ca 0.30 -1.22 -0.35 0.00 0.02 0.00 0.00 55.97 54.72 2aff s LYS 83 Cb -0.19 -1.58 -0.13 0.00 -0.52 0.00 0.00 37.83 35.41 2aff s LYS 83 CO 0.19 0.37 1.81 1.58 -0.92 0.00 0.00 175.35 178.38 2aff n HIS 84 N 1.06 2.28 0.00 3.18 -0.00 -1.26 -0.36 115.22 120.12 2aff n HIS 84 Ca -0.19 0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 2aff n HIS 84 Cb 0.53 -2.62 0.00 0.00 -0.00 0.00 0.00 29.99 27.90 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 4.19 1.37 3.75 1.57 0.00 -0.72 -4.98 105.19 110.37 2aff n GLY 85 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.80 6.87 -0.14 1.61 1.01 0.52 -4.79 116.67 119.95 2aff s ASP 86 Ca 0.00 2.50 -0.03 0.00 0.71 0.00 0.00 52.55 55.73 2aff s ASP 86 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 2aff s ASP 86 CO 0.00 -0.51 -0.04 -0.69 0.21 0.00 0.00 175.17 174.14 2aff s VAL 87 N -0.38 3.89 -0.14 -1.27 1.01 -1.26 -1.75 120.40 120.50 2aff s VAL 87 Ca 0.54 -0.37 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 2aff s VAL 87 Cb -0.37 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2aff s VAL 87 CO 0.43 0.51 0.41 -0.63 0.00 0.00 0.00 175.10 175.83 2aff s ILE 88 N 0.16 5.23 -0.15 2.22 -1.09 0.23 -1.86 121.20 125.95 2aff s ILE 88 Ca -0.02 0.81 0.02 0.00 -2.23 0.00 0.00 60.65 59.23 2aff s ILE 88 Cb -0.14 -3.75 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 2aff s ILE 88 CO 0.03 0.34 -0.21 -0.89 -1.23 0.00 0.00 174.94 172.98 2aff s THR 89 N 0.64 2.01 -0.11 2.92 2.01 0.51 0.61 115.64 124.23 2aff s THR 89 Ca 0.22 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.31 2aff s THR 89 Cb -0.14 -1.79 0.01 0.00 0.01 0.00 0.00 72.50 70.58 2aff s THR 89 CO 0.08 0.54 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.73 2aff s ILE 90 N 0.94 1.78 0.00 1.82 1.01 0.58 -1.63 121.20 125.70 2aff s ILE 90 Ca -0.04 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.78 2aff s ILE 90 Cb -0.15 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.74 2aff s ILE 90 CO -0.04 0.50 0.00 -0.38 0.00 0.00 0.00 174.94 175.01 2aff n ILE 91 N 3.97 0.00 -0.70 2.92 2.08 -1.26 0.29 119.36 126.66 2aff n ILE 91 Ca -0.20 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.19 2aff n ILE 91 Cb 0.52 0.00 0.25 0.00 -0.75 0.00 0.00 39.64 39.66 2aff n ILE 91 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2aff n ASP 92 N 2.73 3.81 -4.21 4.38 8.00 -1.26 -4.97 116.55 125.03 2aff n ASP 92 Ca 0.00 -2.65 -0.24 0.00 0.71 0.00 0.00 54.79 52.62 2aff n ASP 92 Cb 0.00 -0.46 -0.14 0.00 -0.02 0.00 0.00 41.12 40.50 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2aff s ARG 93 N -2.17 1.26 0.02 -1.24 0.52 0.85 -4.47 118.95 113.73 2aff s ARG 93 Ca 0.38 -0.85 0.01 0.00 -0.52 0.00 0.00 55.73 54.75 2aff s ARG 93 Cb 0.28 -1.33 -0.02 0.00 0.52 0.00 0.00 34.95 34.40 2aff s ARG 93 CO 0.13 0.34 -0.04 0.45 0.02 0.00 0.00 175.30 176.20 2aff s SER 94 N -1.08 0.41 -0.11 0.23 0.15 -1.26 0.22 113.70 112.26 2aff s SER 94 Ca 0.06 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.27 2aff s SER 94 Cb -0.08 0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.31 2aff s SER 94 CO 0.01 -0.23 -0.15 -0.36 1.20 0.00 0.00 173.24 173.72 2aff s PHE 95 N -1.26 1.93 -0.10 3.44 0.40 0.20 -1.96 117.98 120.64 2aff s PHE 95 Ca -0.12 -0.91 -0.24 0.00 -0.60 0.00 0.00 56.93 55.06 2aff s PHE 95 Cb -0.09 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 42.01 2aff s PHE 95 CO -0.00 -0.48 0.74 1.03 0.70 0.00 0.00 175.22 177.21 2aff s ARG 96 N 1.03 4.39 -0.19 0.44 0.52 -0.83 -0.60 118.95 123.72 2aff s ARG 96 Ca -0.06 0.92 -0.15 0.00 -0.52 0.00 0.00 55.73 55.93 2aff s ARG 96 Cb -0.15 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 2aff s ARG 96 CO -0.02 -0.06 0.34 -0.47 0.02 0.00 0.00 175.30 175.12 2aff s TYR 97 N 1.21 3.41 -0.04 -0.53 5.04 -0.71 -1.87 117.35 123.84 2aff s TYR 97 Ca 0.38 0.58 -0.01 0.00 -2.44 0.00 0.00 57.07 55.58 2aff s TYR 97 Cb -0.18 -2.44 0.03 0.00 0.35 0.00 0.00 41.96 39.73 2aff s TYR 97 CO 0.17 0.09 0.03 -1.21 -1.34 0.00 0.00 175.55 173.29 2aff s GLU 98 N 0.96 0.14 -0.44 4.97 2.02 -0.58 -1.75 118.70 124.02 2aff s GLU 98 Ca 0.17 0.22 -0.15 0.00 0.02 0.00 0.00 54.97 55.23 2aff s GLU 98 Cb -0.14 -0.53 0.05 0.00 0.10 0.00 0.00 34.13 33.61 2aff s GLU 98 CO 0.06 -0.24 0.34 -0.80 0.02 0.00 0.00 175.26 174.64 2aff s ASN 99 N 1.61 6.07 0.00 -0.19 0.01 -1.26 -0.80 114.94 120.38 2aff s ASN 99 Ca -0.02 -1.17 0.00 0.00 -0.71 0.00 0.00 52.86 50.96 2aff s ASN 99 Cb -0.13 -2.15 0.00 0.00 0.41 0.00 0.00 41.25 39.38 2aff s ASN 99 CO -0.03 -0.55 0.00 1.21 -1.51 0.00 0.00 177.10 176.22