#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 1.04 -3.42 3.45 -2.24 -1.26 -4.90 114.28 106.95 2aff n THR 4 Ca 0.00 -0.41 -0.39 0.00 -2.27 0.00 0.00 64.05 60.98 2aff n THR 4 Cb 0.00 -1.11 -0.09 0.00 -2.10 0.00 0.00 70.33 67.02 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 -2.36 3.97 0.00 -0.78 0.52 -1.26 -0.58 118.95 118.47 2aff s ARG 5 Ca -0.23 -0.05 0.03 0.00 -0.52 0.00 0.00 55.73 54.95 2aff s ARG 5 Cb 0.06 -3.67 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 2aff s ARG 5 CO 0.43 -0.28 -0.10 1.03 0.02 0.00 0.00 175.30 176.40 2aff s ARG 6 N 2.02 0.75 -0.01 3.54 0.52 0.58 -1.81 118.95 124.54 2aff s ARG 6 Ca 0.14 -0.41 0.05 0.00 -0.52 0.00 0.00 55.73 54.98 2aff s ARG 6 Cb -0.16 -0.71 -0.03 0.00 0.52 0.00 0.00 34.95 34.57 2aff s ARG 6 CO 0.10 0.19 -0.14 -0.51 0.02 0.00 0.00 175.30 174.96 2aff s LEU 7 N -0.42 2.76 -0.11 2.53 1.43 -0.86 -1.43 118.68 122.57 2aff s LEU 7 Ca 0.02 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2aff s LEU 7 Cb -0.04 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 2aff s LEU 7 CO -0.00 0.31 -0.19 -0.69 0.23 0.00 0.00 176.35 176.01 2aff s VAL 8 N -0.84 2.56 -0.38 -1.59 1.01 -0.99 0.07 120.40 120.24 2aff s VAL 8 Ca 0.13 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 2aff s VAL 8 Cb -0.11 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.26 2aff s VAL 8 CO 0.03 0.54 0.80 -0.89 0.00 0.00 0.00 175.10 175.58 2aff s THR 9 N 0.29 4.70 0.22 3.92 2.01 -0.88 -2.06 115.64 123.85 2aff s THR 9 Ca -0.14 0.83 -0.29 0.00 0.31 0.00 0.00 61.69 62.40 2aff s THR 9 Cb -0.17 -4.24 -0.09 0.00 0.01 0.00 0.00 72.50 68.01 2aff s THR 9 CO 0.07 -0.50 0.90 -0.63 -0.69 0.00 0.00 174.62 173.78 2aff s ILE 10 N 3.18 4.14 0.38 1.82 1.01 -0.95 -1.66 121.20 129.11 2aff s ILE 10 Ca 0.32 2.00 -0.08 0.00 0.00 0.00 0.00 60.65 62.89 2aff s ILE 10 Cb -0.13 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.00 2aff s ILE 10 CO 0.18 0.50 0.71 -0.54 0.00 0.00 0.00 174.94 175.79 2aff s LYS 11 N -1.18 3.70 0.57 2.79 1.02 0.58 -4.53 119.74 122.69 2aff s LYS 11 Ca 0.40 0.29 0.26 0.00 0.02 0.00 0.00 55.97 56.94 2aff s LYS 11 Cb -0.25 -2.47 1.66 0.00 -0.52 0.00 0.00 37.83 36.25 2aff s LYS 11 CO 0.31 0.02 2.20 0.00 -0.92 0.00 0.00 175.35 176.96 2aff h ARG 12 N 1.25 0.00 0.00 1.68 3.08 -1.87 0.29 114.38 118.81 2aff h ARG 12 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2aff h ARG 12 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2aff h ARG 12 CO 0.64 0.00 0.00 0.77 -1.07 0.00 0.00 179.97 180.31 2aff h SER 13 N 0.00 0.00 0.00 7.04 0.02 -1.94 -3.47 113.55 115.20 2aff h SER 13 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2aff h SER 13 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 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 0.80 1.60 3.13 -3.77 0.00 0.10 -5.11 105.19 101.94 2aff n GLY 14 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 1.62 0.24 1.61 1.01 -1.24 -4.86 120.40 116.79 2aff s VAL 15 Ca 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 2aff s VAL 15 Cb 0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 36.38 34.86 2aff s VAL 15 CO 0.00 0.46 1.15 -1.81 0.00 0.00 0.00 175.10 174.90 2aff s ASP 16 N 0.50 7.17 0.00 3.32 1.01 -1.26 -0.31 116.67 127.10 2aff s ASP 16 Ca -0.17 2.28 0.00 0.00 0.71 0.00 0.00 52.55 55.37 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 0.06 -0.26 0.00 0.61 0.21 0.00 0.00 175.17 175.80 2aff n GLY 17 N 1.56 2.37 3.79 0.21 0.00 -0.66 -4.92 105.19 107.53 2aff n GLY 17 Ca 0.01 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 2.70 4.08 0.07 1.61 0.04 -1.26 -4.77 135.00 137.47 2aff s PRO 18 Ca 0.00 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.49 2aff s PRO 18 Cb 0.00 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 2aff s PRO 18 CO 0.00 -0.20 0.00 -3.38 0.04 0.00 0.00 177.00 173.47 2aff s HIS 19 N -1.82 3.02 -0.34 0.56 -3.43 -1.26 -2.07 115.29 109.95 2aff s HIS 19 Ca 0.61 0.01 0.03 0.00 -0.80 0.00 0.00 55.06 54.90 2aff s HIS 19 Cb -0.18 -1.57 0.10 0.00 -1.43 0.00 0.00 32.58 29.49 2aff s HIS 19 CO 0.23 0.48 0.06 0.12 -2.00 0.00 0.00 174.74 173.63 2aff s PHE 20 N -1.26 3.68 0.19 0.38 5.36 0.11 -4.97 117.98 121.46 2aff s PHE 20 Ca 0.24 -2.81 -0.30 0.00 -0.96 0.00 0.00 56.93 53.10 2aff s PHE 20 Cb -0.12 -2.86 -0.08 0.00 -0.34 0.00 0.00 43.02 39.63 2aff s PHE 20 CO 0.17 -0.94 1.21 -1.25 -1.46 0.00 0.00 175.22 172.94 2aff s PRO 21 N 0.97 4.48 -0.46 10.12 0.04 -1.26 -2.02 135.00 146.86 2aff s PRO 21 Ca 0.08 1.90 -0.04 0.00 0.04 0.00 0.00 61.00 62.98 2aff s PRO 21 Cb -0.20 -3.23 0.08 0.00 0.04 0.00 0.00 34.50 31.19 2aff s PRO 21 CO -0.07 -0.11 2.71 1.28 0.04 0.00 0.00 177.00 180.85 2aff n LEU 22 N 2.50 6.52 0.30 -3.56 4.77 -0.75 -4.53 117.00 122.24 2aff n LEU 22 Ca 0.04 -4.06 0.20 0.00 -0.03 0.00 0.00 56.01 52.16 2aff n LEU 22 Cb 0.44 -1.22 1.04 0.00 -2.33 0.00 0.00 43.42 41.36 2aff n LEU 22 CO 0.56 1.71 1.10 -1.28 -1.33 0.00 0.00 177.39 178.15 2aff h SER 23 N 2.93 0.00 -3.68 -1.43 0.87 -1.92 -3.41 113.55 106.90 2aff h SER 23 Ca 0.40 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.46 2aff h SER 23 Cb 0.70 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 2aff h SER 23 CO 0.90 0.00 0.35 -0.76 -0.53 0.00 0.00 176.83 176.79 2aff s LEU 24 N -5.87 4.59 0.60 2.23 1.43 -1.26 -4.94 118.68 115.46 2aff s LEU 24 Ca -0.04 1.88 0.39 0.00 -1.03 0.00 0.00 54.13 55.34 2aff s LEU 24 Cb 0.11 -3.59 1.91 0.00 0.03 0.00 0.00 46.19 44.66 2aff s LEU 24 CO 0.40 0.08 2.18 0.28 0.23 0.00 0.00 176.35 179.51 2aff h SER 25 N 4.68 0.00 -3.71 2.29 0.02 -1.92 -3.42 113.55 111.48 2aff h SER 25 Ca -0.44 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.15 2aff h SER 25 Cb 1.20 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.43 2aff h SER 25 CO 0.69 0.00 -0.76 -0.89 -1.14 0.00 0.00 176.83 174.73 2aff s THR 26 N -3.91 0.45 -0.10 -2.27 2.01 -1.26 -1.15 115.64 109.40 2aff s THR 26 Ca -0.02 -0.16 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 2aff s THR 26 Cb 0.11 -0.43 0.02 0.00 0.01 0.00 0.00 72.50 72.21 2aff s THR 26 CO 0.46 0.16 -0.07 0.00 -0.69 0.00 0.00 174.62 174.49 2aff s LEU 28 N 1.67 2.20 -0.05 0.00 2.96 -1.26 -0.42 118.68 123.78 2aff s LEU 28 Ca 0.04 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 2aff s LEU 28 Cb -0.13 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 2aff s LEU 28 CO -0.07 0.14 0.05 -0.36 -1.32 0.00 0.00 176.35 174.79 2aff s PHE 29 N 0.46 3.26 -5.00 5.38 0.40 0.13 0.14 117.98 122.75 2aff s PHE 29 Ca -0.15 0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.42 2aff s PHE 29 Cb -0.17 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.58 2aff s PHE 29 CO 0.06 0.54 0.00 0.41 0.70 0.00 0.00 175.22 176.93 2aff n GLY 30 N 1.67 -0.04 0.15 4.36 0.00 -0.90 -2.74 105.19 107.68 2aff n GLY 30 Ca -0.16 -1.70 -0.07 0.00 0.00 0.00 0.00 46.02 44.08 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 4.69 0.24 -6.10 1.61 3.08 -1.22 -3.21 114.38 113.48 2aff h ARG 31 Ca 0.00 -0.21 -0.63 0.00 0.07 0.00 0.00 59.98 59.21 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 0.88 -0.69 0.41 -1.07 0.00 0.00 179.97 179.50 2aff n GLY 32 N 0.58 -2.14 0.25 0.04 0.00 -0.99 -4.85 105.19 98.08 2aff n GLY 32 Ca -0.03 0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 0.64 1.27 -0.06 -0.61 6.09 -1.90 -1.94 117.51 120.99 2aff h ILE 33 Ca -0.36 -1.22 0.02 0.00 -1.37 0.00 0.00 64.86 61.93 2aff h ILE 33 Cb 1.43 1.16 -0.00 0.00 0.47 0.00 0.00 36.82 39.87 2aff h ILE 33 CO 0.51 0.41 0.11 -0.33 -3.07 0.00 0.00 178.15 175.78 2aff h GLU 34 N 0.68 0.00 -6.16 2.19 4.39 -1.96 -3.42 114.58 110.30 2aff h GLU 34 Ca 0.11 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.12 2aff h GLU 34 Cb 0.65 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2aff h GLU 34 CO 0.04 0.00 1.07 0.00 -1.16 0.00 0.00 179.01 178.96 2aff h ASP 36 N 8.83 0.06 -3.19 0.00 3.32 -0.56 -3.36 116.42 121.53 2aff h ASP 36 Ca -0.44 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.02 2aff h ASP 36 Cb 1.30 -0.01 -0.36 0.00 0.22 0.00 0.00 39.33 40.48 2aff h ASP 36 CO 0.97 0.04 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.08 2aff s ILE 37 N -5.10 1.51 -0.14 0.35 1.01 -0.63 -4.95 121.20 113.25 2aff s ILE 37 Ca -0.05 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 2aff s ILE 37 Cb 0.18 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 2aff s ILE 37 CO 0.71 0.39 0.04 -0.13 0.00 0.00 0.00 174.94 175.94 2aff s ARG 38 N 1.50 3.54 -0.15 2.79 0.52 -1.26 -2.13 118.95 123.77 2aff s ARG 38 Ca 0.04 -0.35 -0.00 0.00 -0.52 0.00 0.00 55.73 54.89 2aff s ARG 38 Cb -0.13 -3.04 -0.01 0.00 0.52 0.00 0.00 34.95 32.28 2aff s ARG 38 CO -0.10 0.49 -0.13 0.42 0.02 0.00 0.00 175.30 176.00 2aff s ILE 39 N -0.25 2.96 0.00 1.52 1.01 -1.21 -4.98 121.20 120.25 2aff s ILE 39 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.05 2aff s ILE 39 Cb -0.12 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.09 2aff s ILE 39 CO 0.02 0.51 1.04 0.00 0.00 0.00 0.00 174.94 176.51 2aff n GLN 40 N 3.86 0.54 -5.01 2.79 6.02 -1.26 -4.66 117.38 119.65 2aff n GLN 40 Ca -0.18 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.48 2aff n GLN 40 Cb 0.52 -1.23 -0.16 0.00 1.02 0.00 0.00 30.24 30.39 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 2.41 0.00 1.08 1.43 -1.26 -4.99 118.68 117.34 2aff s LEU 41 Ca 0.00 -0.43 0.19 0.00 -1.03 0.00 0.00 54.13 52.85 2aff s LEU 41 Cb 0.00 -1.51 0.82 0.00 0.03 0.00 0.00 46.19 45.54 2aff s LEU 41 CO 0.00 0.18 1.59 -0.81 0.23 0.00 0.00 176.35 177.54 2aff n PRO 42 N 3.41 0.05 -0.07 1.29 -0.04 -1.26 -2.28 135.00 136.09 2aff n PRO 42 Ca -0.18 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.56 2aff n PRO 42 Cb 0.53 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.46 0.19 -3.10 0.52 0.24 -1.26 -4.92 118.33 108.54 2aff n VAL 43 Ca 0.05 -0.57 -0.39 0.00 -2.04 0.00 0.00 64.34 61.39 2aff n VAL 43 Cb 0.20 1.23 -0.05 0.00 -1.47 0.00 0.00 33.84 33.75 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 -1.81 4.82 0.84 3.34 1.01 -0.97 -4.97 120.40 122.66 2aff s VAL 44 Ca 0.33 1.43 -0.10 0.00 0.00 0.00 0.00 61.98 63.63 2aff s VAL 44 Cb 0.21 -4.02 0.10 0.00 0.00 0.00 0.00 36.38 32.68 2aff s VAL 44 CO 0.31 0.40 1.12 -0.44 0.00 0.00 0.00 175.10 176.48 2aff s SER 45 N -0.16 3.70 0.15 3.32 0.01 -1.26 -4.43 113.70 115.03 2aff s SER 45 Ca 0.34 2.01 -0.14 0.00 1.31 0.00 0.00 55.95 59.48 2aff s SER 45 Cb -0.19 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.52 2aff s SER 45 CO 0.20 -2.58 1.69 0.11 0.41 0.00 0.00 173.24 173.06 2aff h LYS 46 N -1.51 0.76 0.00 12.44 1.57 -1.93 -1.25 116.57 126.65 2aff h LYS 46 Ca -0.43 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.15 2aff h LYS 46 Cb 1.25 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2aff h LYS 46 CO 0.46 0.70 -1.41 1.04 -0.57 0.00 0.00 179.45 179.67 2aff n GLN 47 N -4.53 1.12 0.00 3.15 1.13 -1.26 -2.34 117.38 114.65 2aff n GLN 47 Ca 0.01 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 2aff n GLN 47 Cb 0.18 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.34 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 -1.95 0.00 -4.41 1.08 -0.00 -1.12 -3.77 115.22 105.06 2aff n HIS 48 Ca -0.05 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.92 2aff n HIS 48 Cb 0.39 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.10 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 0.16 2.21 -0.10 0.00 2.20 -0.87 0.17 119.74 123.51 2aff s LYS 50 Ca -0.03 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 55.01 2aff s LYS 50 Cb -0.08 -1.77 -0.02 0.00 -1.51 0.00 0.00 37.83 34.45 2aff s LYS 50 CO 0.00 0.06 -0.14 0.42 -0.36 0.00 0.00 175.35 175.34 2aff s ILE 51 N 0.63 3.06 -0.13 5.43 1.01 0.44 -0.13 121.20 131.50 2aff s ILE 51 Ca -0.14 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.83 2aff s ILE 51 Cb -0.16 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 2aff s ILE 51 CO 0.04 0.55 -0.15 -1.61 0.00 0.00 0.00 174.94 173.78 2aff s GLU 52 N -0.05 3.31 -0.30 2.79 2.02 -0.57 -1.98 118.70 123.92 2aff s GLU 52 Ca -0.03 -0.72 -0.12 0.00 0.02 0.00 0.00 54.97 54.12 2aff s GLU 52 Cb -0.14 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 2aff s GLU 52 CO 0.04 0.16 0.25 0.42 0.02 0.00 0.00 175.26 176.15 2aff s ILE 53 N 0.46 5.27 -0.06 -1.63 -1.09 -0.30 -2.01 121.20 121.85 2aff s ILE 53 Ca -0.11 0.15 0.06 0.00 -2.23 0.00 0.00 60.65 58.53 2aff s ILE 53 Cb -0.16 -3.62 -0.01 0.00 -1.58 0.00 0.00 42.46 37.09 2aff s ILE 53 CO 0.05 0.15 -0.25 -1.00 -1.23 0.00 0.00 174.94 172.66 2aff s HIS 54 N 1.83 2.41 0.52 3.97 3.76 0.22 -4.93 115.29 123.06 2aff s HIS 54 Ca 0.09 -0.73 0.44 0.00 -0.15 0.00 0.00 55.06 54.71 2aff s HIS 54 Cb -0.16 -1.58 1.66 0.00 1.11 0.00 0.00 32.58 33.60 2aff s HIS 54 CO 0.11 -0.22 1.58 1.49 -0.85 0.00 0.00 174.74 176.85 2aff h GLU 55 N 6.10 0.01 0.10 1.40 4.81 -2.02 0.26 114.58 125.24 2aff h GLU 55 Ca -0.31 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2aff h GLU 55 Cb 1.18 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2aff h GLU 55 CO 0.47 0.00 -0.05 1.96 -0.73 0.00 0.00 179.01 180.67 2aff h GLN 56 N 0.01 -0.13 0.00 1.92 4.20 -2.01 -3.49 115.11 115.61 2aff h GLN 56 Ca 0.91 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.63 2aff h GLN 56 Cb 3.42 0.03 0.00 0.00 0.30 0.00 0.00 27.48 31.23 2aff h GLN 56 CO -0.16 -0.08 0.00 -1.91 -0.67 0.00 0.00 178.83 176.01 2aff n GLU 57 N -2.51 0.00 -5.18 1.46 4.07 0.93 -5.16 120.64 114.25 2aff n GLU 57 Ca -0.02 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.76 2aff n GLU 57 Cb 0.05 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.26 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 -1.31 2.21 -0.10 4.31 0.00 -1.26 -0.61 121.76 125.00 2aff s ALA 58 Ca 0.00 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.02 2aff s ALA 58 Cb 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 2aff s ALA 58 CO 0.00 0.30 -0.20 0.42 0.00 0.00 0.00 175.76 176.27 2aff s ILE 59 N 0.30 2.40 -0.22 0.00 1.01 -0.85 0.14 121.20 123.98 2aff s ILE 59 Ca -0.17 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.47 2aff s ILE 59 Cb -0.17 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 2aff s ILE 59 CO 0.08 0.55 0.15 -0.22 0.00 0.00 0.00 174.94 175.51 2aff s LEU 60 N 0.23 4.16 -0.12 2.97 2.96 0.93 -1.51 118.68 128.30 2aff s LEU 60 Ca -0.13 0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 2aff s LEU 60 Cb -0.16 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 2aff s LEU 60 CO 0.07 0.12 -0.06 -1.00 -1.32 0.00 0.00 176.35 174.16 2aff s HIS 61 N 0.71 2.97 -0.53 5.38 3.76 0.81 -1.13 115.29 127.27 2aff s HIS 61 Ca 0.08 -0.22 -0.20 0.00 -0.15 0.00 0.00 55.06 54.57 2aff s HIS 61 Cb -0.12 -1.85 0.06 0.00 1.11 0.00 0.00 32.58 31.78 2aff s HIS 61 CO 0.01 0.08 0.68 1.21 -0.85 0.00 0.00 174.74 175.88 2aff s ASN 62 N -0.07 6.23 -0.01 1.40 3.84 -1.26 -2.05 114.94 123.01 2aff s ASN 62 Ca 0.01 -0.93 0.20 0.00 0.21 0.00 0.00 52.86 52.35 2aff s ASN 62 Cb -0.13 -2.31 -0.24 0.00 -0.55 0.00 0.00 41.25 38.02 2aff s ASN 62 CO 0.03 -0.98 0.78 0.49 -2.79 0.00 0.00 177.10 174.63 2aff n PHE 63 N 6.38 0.00 -1.96 0.43 3.01 -0.39 -4.86 117.46 120.07 2aff n PHE 63 Ca -0.06 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.02 2aff n PHE 63 Cb 0.45 -0.09 -0.03 0.00 -0.01 0.00 0.00 39.48 39.80 2aff n PHE 63 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2aff s SER 64 N -3.20 5.13 0.00 4.37 0.01 0.01 -4.62 113.70 115.40 2aff s SER 64 Ca 0.05 0.43 0.27 0.00 1.31 0.00 0.00 55.95 58.00 2aff s SER 64 Cb 0.15 -2.53 0.84 0.00 0.21 0.00 0.00 66.02 64.69 2aff s SER 64 CO 0.84 -2.47 1.65 -1.54 0.41 0.00 0.00 173.24 172.12 2aff n SER 65 N 13.30 0.28 -0.13 2.44 3.41 -1.26 -3.54 113.62 128.11 2aff n SER 65 Ca 0.23 0.10 -0.22 0.00 -0.26 0.00 0.00 58.87 58.73 2aff n SER 65 Cb 0.52 -0.10 -0.11 0.00 -0.26 0.00 0.00 64.21 64.26 2aff n SER 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2aff n THR 66 N -1.52 1.49 -3.65 6.66 -1.04 -1.26 -4.87 114.28 110.09 2aff n THR 66 Ca 0.06 -0.51 -0.29 0.00 -2.04 0.00 0.00 64.05 61.27 2aff n THR 66 Cb 0.34 -1.56 -0.14 0.00 -1.82 0.00 0.00 70.33 67.15 2aff n THR 66 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2aff s ASN 67 N -6.81 3.68 0.38 8.00 0.01 -1.25 -5.13 114.94 113.82 2aff s ASN 67 Ca -0.36 -1.94 -0.27 0.00 -0.71 0.00 0.00 52.86 49.58 2aff s ASN 67 Cb 0.11 -0.76 -0.11 0.00 0.41 0.00 0.00 41.25 40.90 2aff s ASN 67 CO 0.56 -0.36 1.27 -2.65 -1.51 0.00 0.00 177.10 174.41 2aff n PRO 68 N 4.42 2.01 -2.45 -0.60 -0.02 -1.23 -4.65 135.00 132.49 2aff n PRO 68 Ca 0.03 0.71 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 2aff n PRO 68 Cb 0.39 -2.34 -0.04 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 -1.15 3.65 -0.12 3.45 2.01 -1.26 -4.85 115.64 117.36 2aff s THR 69 Ca 0.58 1.46 -0.07 0.00 0.31 0.00 0.00 61.69 63.98 2aff s THR 69 Cb -0.54 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 2aff s THR 69 CO 0.60 0.27 0.13 -1.10 -0.69 0.00 0.00 174.62 173.83 2aff s GLN 70 N -0.61 3.45 -0.04 4.92 -0.21 -0.13 -1.91 119.66 125.14 2aff s GLN 70 Ca 0.49 -0.16 0.02 0.00 0.02 0.00 0.00 55.36 55.74 2aff s GLN 70 Cb -0.31 -3.17 0.01 0.00 1.00 0.00 0.00 33.01 30.53 2aff s GLN 70 CO 0.37 0.74 -0.09 0.08 -2.12 0.00 0.00 175.29 174.27 2aff s VAL 71 N -0.92 0.84 -1.36 1.09 1.01 0.23 0.23 120.40 121.51 2aff s VAL 71 Ca 0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 2aff s VAL 71 Cb -0.12 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.51 2aff s VAL 71 CO 0.03 0.27 0.28 0.59 0.00 0.00 0.00 175.10 176.27 2aff n ASN 72 N 3.54 -4.75 -0.95 3.32 3.02 -0.49 -0.10 115.26 118.86 2aff n ASN 72 Ca -0.21 -0.11 -0.09 0.00 -0.03 0.00 0.00 54.58 54.14 2aff n ASN 72 Cb 0.53 -3.93 -0.01 0.00 -0.61 0.00 0.00 39.78 35.75 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 -1.11 0.30 2.89 7.41 0.00 -1.26 -5.02 105.19 108.39 2aff n GLY 73 Ca -0.12 -0.54 -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 -2.68 -0.03 0.28 1.61 0.15 0.86 -5.10 113.70 108.79 2aff s SER 74 Ca 0.00 0.11 -0.29 0.00 0.70 0.00 0.00 55.95 56.46 2aff s SER 74 Cb 0.00 0.07 -0.10 0.00 -1.71 0.00 0.00 66.02 64.29 2aff s SER 74 CO 0.00 -0.05 1.24 0.54 1.20 0.00 0.00 173.24 176.16 2aff s VAL 75 N 0.36 3.10 -0.58 4.45 0.11 -1.26 0.74 120.40 127.31 2aff s VAL 75 Ca -0.03 1.05 -0.01 0.00 -2.93 0.00 0.00 61.98 60.06 2aff s VAL 75 Cb -0.04 -3.67 0.15 0.00 -1.53 0.00 0.00 36.38 31.29 2aff s VAL 75 CO -0.01 0.23 0.37 0.27 -3.33 0.00 0.00 175.10 172.63 2aff s ILE 76 N -0.83 3.43 0.36 7.04 -4.36 -0.80 -4.90 121.20 121.14 2aff s ILE 76 Ca 0.49 -2.92 0.21 0.00 -0.26 0.00 0.00 60.65 58.17 2aff s ILE 76 Cb -0.36 -3.28 0.21 0.00 1.25 0.00 0.00 42.46 40.28 2aff s ILE 76 CO 0.45 -0.84 1.95 0.44 0.24 0.00 0.00 174.94 177.19 2aff h ASP 77 N 7.04 0.00 -2.09 4.36 3.32 -1.95 -3.42 116.42 123.68 2aff h ASP 77 Ca -0.04 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.40 2aff h ASP 77 Cb 0.95 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.37 2aff h ASP 77 CO 0.70 0.22 -0.71 -1.83 -1.72 0.00 0.00 179.24 175.90 2aff s GLU 78 N -4.16 1.80 0.63 3.56 4.04 -1.26 -4.87 118.70 118.44 2aff s GLU 78 Ca -0.02 -1.80 -0.18 0.00 0.04 0.00 0.00 54.97 53.01 2aff s GLU 78 Cb 0.13 -1.79 -0.02 0.00 0.02 0.00 0.00 34.13 32.48 2aff s GLU 78 CO 0.65 0.25 1.21 -1.25 -1.84 0.00 0.00 175.26 174.28 2aff s PRO 79 N -3.57 2.75 0.01 -4.83 0.04 -1.26 -4.70 135.00 123.43 2aff s PRO 79 Ca 0.31 1.82 -0.03 0.00 0.04 0.00 0.00 61.00 63.14 2aff s PRO 79 Cb -0.02 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2aff s PRO 79 CO 0.16 -1.38 0.05 0.14 0.04 0.00 0.00 177.00 176.01 2aff s VAL 80 N -1.68 0.09 -0.01 -0.36 -7.23 -0.28 -4.98 120.40 105.94 2aff s VAL 80 Ca 0.77 -0.71 -0.30 0.00 -1.81 0.00 0.00 61.98 59.93 2aff s VAL 80 Cb -0.31 -0.31 -0.04 0.00 0.56 0.00 0.00 36.38 36.29 2aff s VAL 80 CO 0.37 -0.39 1.16 -0.13 -0.31 0.00 0.00 175.10 175.80 2aff s ARG 81 N -1.24 4.41 0.27 4.82 0.52 -1.26 -0.05 118.95 126.43 2aff s ARG 81 Ca -0.13 1.66 -0.29 0.00 -0.52 0.00 0.00 55.73 56.44 2aff s ARG 81 Cb -0.08 -3.47 -0.09 0.00 0.52 0.00 0.00 34.95 31.83 2aff s ARG 81 CO 0.00 -0.32 1.06 -0.51 0.02 0.00 0.00 175.30 175.56 2aff s LEU 82 N 1.64 4.57 0.04 2.53 1.43 0.36 -4.90 118.68 124.35 2aff s LEU 82 Ca 0.56 2.20 0.05 0.00 -1.03 0.00 0.00 54.13 55.91 2aff s LEU 82 Cb -0.25 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.31 2aff s LEU 82 CO 0.25 -0.08 -0.14 -0.54 0.23 0.00 0.00 176.35 176.07 2aff s LYS 83 N -1.40 0.90 -0.20 1.70 1.02 -1.26 -4.48 119.74 116.01 2aff s LYS 83 Ca 0.44 -0.76 -0.37 0.00 0.02 0.00 0.00 55.97 55.30 2aff s LYS 83 Cb -0.31 -0.89 -0.14 0.00 -0.52 0.00 0.00 37.83 35.98 2aff s LYS 83 CO 0.39 0.22 1.83 1.58 -0.92 0.00 0.00 175.35 178.45 2aff n HIS 84 N 1.86 2.17 0.00 3.18 -0.00 -1.26 -0.44 115.22 120.73 2aff n HIS 84 Ca -0.18 0.27 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 2aff n HIS 84 Cb 0.55 -2.56 0.00 0.00 -0.00 0.00 0.00 29.99 27.98 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 4.40 0.98 3.75 1.57 0.00 -0.48 -4.95 105.19 110.46 2aff n GLY 85 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.83 6.93 -0.13 1.61 1.01 0.41 -4.80 116.67 119.87 2aff s ASP 86 Ca 0.00 2.47 -0.04 0.00 0.71 0.00 0.00 52.55 55.69 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 -0.46 0.00 0.54 0.21 0.00 0.00 175.17 175.47 2aff s VAL 87 N -0.53 4.29 -0.19 -1.27 0.11 -1.26 -1.86 120.40 119.69 2aff s VAL 87 Ca 0.52 -0.24 -0.08 0.00 -2.93 0.00 0.00 61.98 59.25 2aff s VAL 87 Cb -0.37 -2.85 -0.04 0.00 -1.53 0.00 0.00 36.38 31.59 2aff s VAL 87 CO 0.43 0.54 0.07 -0.63 -3.33 0.00 0.00 175.10 172.19 2aff s ILE 88 N -0.25 4.86 -0.12 7.04 1.01 -0.94 -1.39 121.20 131.41 2aff s ILE 88 Ca 0.06 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.72 2aff s ILE 88 Cb -0.12 -3.20 0.01 0.00 0.01 0.00 0.00 42.46 39.16 2aff s ILE 88 CO 0.02 0.45 -0.17 -0.89 0.00 0.00 0.00 174.94 174.35 2aff s THR 89 N 0.43 1.63 -0.19 2.92 2.01 0.63 -0.61 115.64 122.46 2aff s THR 89 Ca 0.04 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.29 2aff s THR 89 Cb -0.12 -1.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.89 2aff s THR 89 CO 0.00 0.47 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.71 2aff s ILE 90 N 0.99 3.44 0.00 1.82 1.01 0.53 -0.95 121.20 128.04 2aff s ILE 90 Ca -0.06 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.10 2aff s ILE 90 Cb -0.15 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.79 2aff s ILE 90 CO -0.03 0.46 0.00 -0.38 0.00 0.00 0.00 174.94 174.99 2aff n ILE 91 N 4.27 0.00 -0.90 2.92 5.41 -1.26 0.19 119.36 129.99 2aff n ILE 91 Ca -0.18 0.00 0.08 0.00 1.00 0.00 0.00 62.75 63.65 2aff n ILE 91 Cb 0.52 0.00 0.11 0.00 -0.71 0.00 0.00 39.64 39.56 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 2.27 2.23 -4.10 4.38 2.03 -1.26 -5.02 116.55 117.07 2aff n ASP 92 Ca 0.00 -2.86 -0.19 0.00 0.52 0.00 0.00 54.79 52.26 2aff n ASP 92 Cb 0.00 -0.35 -0.14 0.00 -0.72 0.00 0.00 41.12 39.92 2aff n ASP 92 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aff s ARG 93 N -2.47 0.86 0.06 -0.67 1.70 0.50 -4.72 118.95 114.22 2aff s ARG 93 Ca 0.25 -0.63 0.02 0.00 -0.47 0.00 0.00 55.73 54.90 2aff s ARG 93 Cb 0.22 -0.84 -0.03 0.00 -0.57 0.00 0.00 34.95 33.73 2aff s ARG 93 CO 0.02 0.21 -0.07 -1.12 -1.08 0.00 0.00 175.30 173.26 2aff s SER 94 N -0.89 0.91 -0.14 -2.89 0.01 -1.26 0.20 113.70 109.63 2aff s SER 94 Ca 0.01 -0.68 0.01 0.00 1.31 0.00 0.00 55.95 56.61 2aff s SER 94 Cb -0.07 0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.24 2aff s SER 94 CO 0.01 -0.28 -0.17 -0.36 0.41 0.00 0.00 173.24 172.84 2aff s PHE 95 N -2.02 2.34 0.05 2.43 0.40 0.22 -2.24 117.98 119.16 2aff s PHE 95 Ca -0.04 -1.27 -0.30 0.00 -0.60 0.00 0.00 56.93 54.72 2aff s PHE 95 Cb -0.06 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.77 2aff s PHE 95 CO -0.01 -0.65 1.01 0.50 0.70 0.00 0.00 175.22 176.77 2aff s ARG 96 N 1.22 4.59 -0.28 0.44 3.52 -0.87 -2.21 118.95 125.35 2aff s ARG 96 Ca 0.00 1.49 -0.15 0.00 -0.13 0.00 0.00 55.73 56.95 2aff s ARG 96 Cb -0.14 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 2aff s ARG 96 CO -0.08 0.01 0.37 -0.47 -0.81 0.00 0.00 175.30 174.32 2aff s TYR 97 N 0.63 3.24 -0.15 5.12 5.04 -0.78 -2.34 117.35 128.12 2aff s TYR 97 Ca 0.51 0.37 0.01 0.00 -2.44 0.00 0.00 57.07 55.52 2aff s TYR 97 Cb -0.23 -2.58 0.02 0.00 0.35 0.00 0.00 41.96 39.52 2aff s TYR 97 CO 0.29 -0.24 -0.18 -2.00 -1.34 0.00 0.00 175.55 172.08 2aff s GLU 98 N 2.06 2.62 -0.29 4.97 2.12 -0.52 -1.38 118.70 128.28 2aff s GLU 98 Ca 0.14 -0.69 0.03 0.00 0.36 0.00 0.00 54.97 54.81 2aff s GLU 98 Cb -0.16 -2.25 0.08 0.00 0.26 0.00 0.00 34.13 32.06 2aff s GLU 98 CO 0.10 -0.15 -0.02 1.21 -0.54 0.00 0.00 175.26 175.86 2aff s ASN 99 N 1.19 4.46 0.00 -1.70 3.84 -1.25 -0.30 114.94 121.17 2aff s ASN 99 Ca -0.00 -1.69 0.26 0.00 0.21 0.00 0.00 52.86 51.64 2aff s ASN 99 Cb -0.14 -1.48 0.61 0.00 -0.55 0.00 0.00 41.25 39.70 2aff s ASN 99 CO -0.07 -0.29 1.50 -0.62 -2.79 0.00 0.00 177.10 174.83