#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 -2.85 3.45 -1.04 -1.26 -5.10 114.28 107.48 2aff n THR 4 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 2aff n THR 4 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 2aff n THR 4 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2aff s ARG 5 N 0.00 4.59 -0.01 -2.82 0.52 -1.23 -4.03 118.95 115.98 2aff s ARG 5 Ca 0.00 1.26 0.03 0.00 -0.52 0.00 0.00 55.73 56.50 2aff s ARG 5 Cb 0.00 -3.38 -0.01 0.00 0.52 0.00 0.00 34.95 32.09 2aff s ARG 5 CO 0.00 0.23 -0.11 1.03 0.02 0.00 0.00 175.30 176.46 2aff s ARG 6 N 0.05 0.97 -0.09 3.54 0.52 0.03 -1.17 118.95 122.80 2aff s ARG 6 Ca 0.43 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 55.27 2aff s ARG 6 Cb -0.22 -0.93 -0.02 0.00 0.52 0.00 0.00 34.95 34.31 2aff s ARG 6 CO 0.26 0.22 -0.17 -0.51 0.02 0.00 0.00 175.30 175.13 2aff s LEU 7 N -0.17 2.54 -0.18 2.53 1.43 -0.92 -1.95 118.68 121.96 2aff s LEU 7 Ca 0.03 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 52.73 2aff s LEU 7 Cb -0.05 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2aff s LEU 7 CO -0.00 0.23 0.01 -0.69 0.23 0.00 0.00 176.35 176.12 2aff s VAL 8 N -0.04 4.18 -0.35 -1.59 1.01 -1.02 0.71 120.40 123.30 2aff s VAL 8 Ca -0.04 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 2aff s VAL 8 Cb -0.14 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2aff s VAL 8 CO 0.04 0.45 0.63 -0.89 0.00 0.00 0.00 175.10 175.33 2aff s THR 9 N 0.65 4.90 0.26 3.92 2.01 -0.96 -2.03 115.64 124.39 2aff s THR 9 Ca 0.00 0.57 -0.27 0.00 0.31 0.00 0.00 61.69 62.30 2aff s THR 9 Cb -0.14 -4.07 -0.09 0.00 0.01 0.00 0.00 72.50 68.21 2aff s THR 9 CO 0.02 -0.30 0.90 -0.63 -0.69 0.00 0.00 174.62 173.92 2aff s ILE 10 N 2.68 4.20 0.41 1.82 1.01 -1.04 -2.32 121.20 127.96 2aff s ILE 10 Ca 0.24 1.88 -0.03 0.00 0.00 0.00 0.00 60.65 62.74 2aff s ILE 10 Cb -0.15 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 2aff s ILE 10 CO 0.15 0.35 0.68 -0.54 0.00 0.00 0.00 174.94 175.57 2aff s LYS 11 N -1.55 3.53 0.45 2.79 1.02 0.63 -4.66 119.74 121.96 2aff s LYS 11 Ca 0.44 -0.02 0.12 0.00 0.02 0.00 0.00 55.97 56.52 2aff s LYS 11 Cb -0.22 -2.51 1.03 0.00 -0.52 0.00 0.00 37.83 35.61 2aff s LYS 11 CO 0.27 -0.03 2.06 0.00 -0.92 0.00 0.00 175.35 176.73 2aff h ARG 12 N 0.55 0.34 0.00 1.68 3.08 -1.90 0.13 114.38 118.27 2aff h ARG 12 Ca -0.48 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2aff h ARG 12 Cb 1.21 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2aff h ARG 12 CO 0.62 0.23 0.00 -1.13 -1.07 0.00 0.00 179.97 178.62 2aff n SER 13 N -4.48 0.56 0.00 7.04 3.41 -1.26 -4.87 113.62 114.03 2aff n SER 13 Ca 0.04 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 2aff n SER 13 Cb 0.18 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 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 0.61 1.85 3.28 5.00 0.00 0.45 -5.10 105.19 111.28 2aff n GLY 14 Ca 0.04 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 2.47 0.27 1.61 1.01 -1.24 -4.85 120.40 117.67 2aff s VAL 15 Ca 0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 2aff s VAL 15 Cb 0.00 -1.98 -0.09 0.00 0.00 0.00 0.00 36.38 34.30 2aff s VAL 15 CO 0.00 0.55 1.13 -1.81 0.00 0.00 0.00 175.10 174.96 2aff s ASP 16 N 0.33 7.21 0.00 3.32 1.01 -1.26 -0.26 116.67 127.01 2aff s ASP 16 Ca -0.15 2.29 0.00 0.00 0.71 0.00 0.00 52.55 55.40 2aff s ASP 16 Cb -0.17 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.13 2aff s ASP 16 CO 0.08 -0.20 0.00 0.61 0.21 0.00 0.00 175.17 175.86 2aff n GLY 17 N 1.31 2.73 3.77 0.21 0.00 -0.98 -4.92 105.19 107.31 2aff n GLY 17 Ca -0.00 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 2.28 4.16 -0.14 1.61 0.04 -1.26 -4.81 135.00 136.88 2aff s PRO 18 Ca 0.00 1.65 -0.05 0.00 0.04 0.00 0.00 61.00 62.64 2aff s PRO 18 Cb 0.00 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 2aff s PRO 18 CO 0.00 -0.18 0.06 -1.01 0.04 0.00 0.00 177.00 175.91 2aff s HIS 19 N -1.52 3.30 -0.69 0.56 3.76 -1.26 -2.26 115.29 117.17 2aff s HIS 19 Ca 0.56 0.21 -0.09 0.00 -0.15 0.00 0.00 55.06 55.60 2aff s HIS 19 Cb -0.26 -1.95 0.18 0.00 1.11 0.00 0.00 32.58 31.66 2aff s HIS 19 CO 0.33 0.39 0.57 0.12 -0.85 0.00 0.00 174.74 175.29 2aff s PHE 20 N -0.37 3.55 0.27 1.40 5.36 0.22 -4.96 117.98 123.46 2aff s PHE 20 Ca 0.09 -2.25 -0.29 0.00 -0.96 0.00 0.00 56.93 53.52 2aff s PHE 20 Cb -0.12 -3.52 -0.09 0.00 -0.34 0.00 0.00 43.02 38.95 2aff s PHE 20 CO 0.02 -0.93 1.15 -1.25 -1.46 0.00 0.00 175.22 172.74 2aff s PRO 21 N 0.28 4.58 -0.24 10.12 0.04 -1.26 -2.16 135.00 146.36 2aff s PRO 21 Ca 0.15 1.88 -0.10 0.00 0.04 0.00 0.00 61.00 62.97 2aff s PRO 21 Cb -0.17 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 2aff s PRO 21 CO -0.05 0.11 0.14 -0.51 0.04 0.00 0.00 177.00 176.73 2aff s LEU 22 N -1.32 3.97 0.00 -3.56 1.43 -0.32 -4.89 118.68 113.99 2aff s LEU 22 Ca 0.46 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 2aff s LEU 22 Cb -0.33 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 2aff s LEU 22 CO 0.42 0.04 0.17 -1.54 0.23 0.00 0.00 176.35 175.68 2aff n SER 23 N 4.42 0.25 -4.87 2.29 3.41 -1.26 -4.21 113.62 113.65 2aff n SER 23 Ca -0.15 -0.63 -0.31 0.00 -0.26 0.00 0.00 58.87 57.52 2aff n SER 23 Cb 0.52 0.89 -0.05 0.00 -0.26 0.00 0.00 64.21 65.31 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 -1.93 4.18 0.12 1.04 1.43 -1.26 -5.00 118.68 117.25 2aff s LEU 24 Ca 0.01 0.19 0.19 0.00 -1.03 0.00 0.00 54.13 53.49 2aff s LEU 24 Cb 0.02 -2.79 0.79 0.00 0.03 0.00 0.00 46.19 44.24 2aff s LEU 24 CO 0.11 0.18 1.58 -1.54 0.23 0.00 0.00 176.35 176.91 2aff n SER 25 N 0.38 0.31 -3.98 2.29 3.41 -1.26 -4.68 113.62 110.09 2aff n SER 25 Ca -0.06 0.58 -0.21 0.00 -0.26 0.00 0.00 58.87 58.91 2aff n SER 25 Cb 0.51 -0.64 -0.16 0.00 -0.26 0.00 0.00 64.21 63.66 2aff n SER 25 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2aff s THR 26 N -3.14 0.76 -0.18 6.66 2.01 -1.26 -0.66 115.64 119.83 2aff s THR 26 Ca 0.06 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.74 2aff s THR 26 Cb 0.10 -0.70 0.04 0.00 0.01 0.00 0.00 72.50 71.94 2aff s THR 26 CO 0.33 0.25 -0.11 0.00 -0.69 0.00 0.00 174.62 174.40 2aff s LEU 28 N 1.47 2.42 -0.10 0.00 2.96 -1.26 -0.48 118.68 123.69 2aff s LEU 28 Ca 0.01 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2aff s LEU 28 Cb -0.15 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2aff s LEU 28 CO -0.09 0.21 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.73 2aff s PHE 29 N 0.06 2.96 -3.88 5.38 0.40 0.15 0.43 117.98 123.48 2aff s PHE 29 Ca -0.08 -0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 2aff s PHE 29 Cb -0.15 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.59 2aff s PHE 29 CO 0.05 0.21 0.00 0.41 0.70 0.00 0.00 175.22 176.59 2aff n GLY 30 N 2.65 -1.08 0.08 4.36 0.00 -0.77 -2.39 105.19 108.03 2aff n GLY 30 Ca -0.18 -1.09 -0.06 0.00 0.00 0.00 0.00 46.02 44.69 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 0.00 0.00 -7.00 1.61 3.08 -1.12 -2.89 114.38 108.06 2aff h ARG 31 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 2aff h ARG 31 Cb 0.00 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.23 2aff h ARG 31 CO 0.00 0.48 0.18 0.41 -1.07 0.00 0.00 179.97 179.97 2aff n GLY 32 N 1.50 -0.27 0.26 0.04 0.00 -1.15 -4.84 105.19 100.73 2aff n GLY 32 Ca -0.14 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.24 1.27 -0.25 -0.61 6.09 -1.92 -2.32 117.51 119.53 2aff h ILE 33 Ca -0.48 -1.12 0.07 0.00 -1.37 0.00 0.00 64.86 61.97 2aff h ILE 33 Cb 1.33 1.02 -0.01 0.00 0.47 0.00 0.00 36.82 39.63 2aff h ILE 33 CO 0.47 0.39 0.23 -0.08 -3.07 0.00 0.00 178.15 176.09 2aff h GLU 34 N 0.73 0.00 -6.32 2.19 4.57 -1.97 -3.42 114.58 110.37 2aff h GLU 34 Ca 0.13 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.70 2aff h GLU 34 Cb 0.55 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.17 2aff h GLU 34 CO 0.03 0.00 1.00 0.00 -1.18 0.00 0.00 179.01 178.86 2aff h ASP 36 N 8.18 0.38 -3.85 0.00 3.32 -0.27 -3.36 116.42 120.82 2aff h ASP 36 Ca -0.47 -0.02 -0.67 0.00 0.02 0.00 0.00 57.03 55.88 2aff h ASP 36 Cb 1.27 -0.10 -0.36 0.00 0.22 0.00 0.00 39.33 40.36 2aff h ASP 36 CO 0.93 0.32 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.36 2aff s ILE 37 N -5.30 2.31 -0.14 0.35 -1.09 0.30 -4.95 121.20 112.69 2aff s ILE 37 Ca -0.07 -1.60 -0.10 0.00 -2.23 0.00 0.00 60.65 56.64 2aff s ILE 37 Cb 0.17 -2.36 -0.05 0.00 -1.58 0.00 0.00 42.46 38.64 2aff s ILE 37 CO 0.73 -0.05 0.21 -0.13 -1.23 0.00 0.00 174.94 174.47 2aff s ARG 38 N 1.12 3.91 -0.08 2.79 0.52 -1.26 -1.85 118.95 124.10 2aff s ARG 38 Ca -0.08 -0.03 0.05 0.00 -0.52 0.00 0.00 55.73 55.15 2aff s ARG 38 Cb -0.20 -3.31 -0.00 0.00 0.52 0.00 0.00 34.95 31.95 2aff s ARG 38 CO -0.04 0.50 -0.24 0.42 0.02 0.00 0.00 175.30 175.96 2aff s ILE 39 N -0.29 2.01 -0.09 1.52 1.01 -1.09 -4.99 121.20 119.28 2aff s ILE 39 Ca 0.15 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.78 2aff s ILE 39 Cb -0.13 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.62 2aff s ILE 39 CO 0.03 0.55 0.77 0.00 0.00 0.00 0.00 174.94 176.30 2aff n GLN 40 N 3.28 0.81 -4.19 2.79 6.02 -1.26 -4.72 117.38 120.11 2aff n GLN 40 Ca -0.18 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.46 2aff n GLN 40 Cb 0.53 -1.12 -0.11 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 3.56 0.14 1.08 1.43 -1.26 -4.99 118.68 118.64 2aff s LEU 41 Ca 0.00 -0.01 0.22 0.00 -1.03 0.00 0.00 54.13 53.31 2aff s LEU 41 Cb 0.00 -1.88 0.88 0.00 0.03 0.00 0.00 46.19 45.22 2aff s LEU 41 CO 0.00 0.18 1.68 -0.81 0.23 0.00 0.00 176.35 177.63 2aff n PRO 42 N 3.51 0.12 0.00 1.29 -0.04 -1.26 -2.44 135.00 136.18 2aff n PRO 42 Ca -0.17 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 63.70 2aff n PRO 42 Cb 0.52 -1.70 0.40 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.92 0.00 -3.07 0.52 0.24 -1.26 -4.84 118.33 107.99 2aff n VAL 43 Ca 0.04 -0.30 -0.39 0.00 -2.04 0.00 0.00 64.34 61.65 2aff n VAL 43 Cb 0.26 0.74 -0.05 0.00 -1.47 0.00 0.00 33.84 33.32 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 -2.06 4.91 0.96 3.34 1.01 -1.02 -4.95 120.40 122.59 2aff s VAL 44 Ca 0.34 1.44 -0.12 0.00 0.00 0.00 0.00 61.98 63.64 2aff s VAL 44 Cb 0.21 -4.03 0.16 0.00 0.00 0.00 0.00 36.38 32.72 2aff s VAL 44 CO 0.35 0.34 1.09 -0.44 0.00 0.00 0.00 175.10 176.44 2aff s SER 45 N 0.25 2.97 0.21 3.32 0.01 -1.26 -4.51 113.70 114.69 2aff s SER 45 Ca 0.36 1.28 -0.08 0.00 1.31 0.00 0.00 55.95 58.81 2aff s SER 45 Cb -0.19 -1.94 0.16 0.00 0.21 0.00 0.00 66.02 64.26 2aff s SER 45 CO 0.19 -2.93 1.80 0.11 0.41 0.00 0.00 173.24 172.82 2aff h LYS 46 N -1.75 1.16 0.00 12.44 1.57 -1.93 -1.55 116.57 126.51 2aff h LYS 46 Ca -0.53 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.06 2aff h LYS 46 Cb 1.31 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 2aff h LYS 46 CO 0.57 0.91 -1.24 1.04 -0.57 0.00 0.00 179.45 180.16 2aff n GLN 47 N -4.33 0.43 0.00 3.15 1.13 -1.26 -2.83 117.38 113.66 2aff n GLN 47 Ca 0.07 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 2aff n GLN 47 Cb 0.15 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.38 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 -1.72 0.00 -4.34 1.08 -0.00 -1.13 -3.97 115.22 105.14 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 0.18 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.90 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 0.10 1.66 -0.08 0.00 2.20 -0.61 0.32 119.74 123.34 2aff s LYS 50 Ca -0.01 -0.46 0.03 0.00 -0.36 0.00 0.00 55.97 55.16 2aff s LYS 50 Cb -0.07 -1.40 -0.01 0.00 -1.51 0.00 0.00 37.83 34.84 2aff s LYS 50 CO 0.00 0.10 -0.18 0.42 -0.36 0.00 0.00 175.35 175.33 2aff s ILE 51 N 0.42 2.63 -0.15 5.43 1.01 0.37 0.51 121.20 131.42 2aff s ILE 51 Ca -0.10 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.68 2aff s ILE 51 Cb -0.14 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 2aff s ILE 51 CO 0.03 0.56 -0.07 -1.61 0.00 0.00 0.00 174.94 173.85 2aff s GLU 52 N -0.08 3.54 -0.30 2.79 2.02 -0.29 -2.26 118.70 124.13 2aff s GLU 52 Ca -0.04 -0.59 -0.11 0.00 0.02 0.00 0.00 54.97 54.24 2aff s GLU 52 Cb -0.14 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 2aff s GLU 52 CO 0.04 0.19 0.20 0.42 0.02 0.00 0.00 175.26 176.13 2aff s ILE 53 N 0.46 5.28 -0.09 -1.63 -1.09 0.17 -1.71 121.20 122.58 2aff s ILE 53 Ca -0.06 0.04 0.04 0.00 -2.23 0.00 0.00 60.65 58.45 2aff s ILE 53 Cb -0.15 -3.57 -0.00 0.00 -1.58 0.00 0.00 42.46 37.16 2aff s ILE 53 CO 0.04 0.17 -0.24 -1.00 -1.23 0.00 0.00 174.94 172.68 2aff s HIS 54 N 1.74 2.55 0.53 3.97 3.76 0.38 -4.93 115.29 123.29 2aff s HIS 54 Ca 0.07 -0.99 0.46 0.00 -0.15 0.00 0.00 55.06 54.44 2aff s HIS 54 Cb -0.16 -1.70 1.67 0.00 1.11 0.00 0.00 32.58 33.50 2aff s HIS 54 CO 0.11 -0.38 1.59 1.49 -0.85 0.00 0.00 174.74 176.70 2aff h GLU 55 N 6.61 0.01 0.17 1.40 4.81 -2.01 0.51 114.58 126.08 2aff h GLU 55 Ca -0.21 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 2aff h GLU 55 Cb 1.23 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2aff h GLU 55 CO 0.47 0.00 -0.08 1.96 -0.73 0.00 0.00 179.01 180.63 2aff h GLN 56 N 0.01 -0.22 0.00 1.92 1.08 -2.01 -3.49 115.11 112.39 2aff h GLN 56 Ca 0.90 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 58.11 2aff h GLN 56 Cb 3.46 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 30.94 2aff h GLN 56 CO -0.11 -0.15 0.00 -1.91 -0.95 0.00 0.00 178.83 175.71 2aff n GLU 57 N -2.77 0.05 -4.94 1.46 4.07 0.18 -5.16 120.64 113.52 2aff n GLU 57 Ca -0.03 -0.13 -0.32 0.00 -0.06 0.00 0.00 57.16 56.61 2aff n GLU 57 Cb 0.09 0.14 -0.16 0.00 -0.06 0.00 0.00 31.44 31.45 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 -1.39 2.31 -0.12 4.31 0.00 -1.26 -0.47 121.76 125.14 2aff s ALA 58 Ca 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2aff s ALA 58 Cb -0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 2aff s ALA 58 CO 0.01 0.18 -0.14 0.42 0.00 0.00 0.00 175.76 176.23 2aff s ILE 59 N 0.50 2.98 -0.20 0.00 1.01 -0.69 0.15 121.20 124.93 2aff s ILE 59 Ca -0.13 -0.69 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 2aff s ILE 59 Cb -0.17 -2.24 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 2aff s ILE 59 CO 0.05 0.53 0.16 -0.22 0.00 0.00 0.00 174.94 175.46 2aff s LEU 60 N 0.27 4.19 -0.08 2.97 2.96 0.10 -1.13 118.68 127.96 2aff s LEU 60 Ca -0.10 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 2aff s LEU 60 Cb -0.16 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 2aff s LEU 60 CO 0.06 0.14 -0.11 -1.00 -1.32 0.00 0.00 176.35 174.12 2aff s HIS 61 N 0.53 2.82 -0.42 5.38 3.76 0.18 -2.00 115.29 125.55 2aff s HIS 61 Ca 0.09 -0.24 -0.18 0.00 -0.15 0.00 0.00 55.06 54.58 2aff s HIS 61 Cb -0.12 -1.73 0.02 0.00 1.11 0.00 0.00 32.58 31.86 2aff s HIS 61 CO 0.00 0.11 0.47 1.21 -0.85 0.00 0.00 174.74 175.68 2aff s ASN 62 N -0.40 6.22 0.00 1.40 3.84 -1.26 -1.57 114.94 123.17 2aff s ASN 62 Ca 0.05 -0.60 0.17 0.00 0.21 0.00 0.00 52.86 52.70 2aff s ASN 62 Cb -0.12 -2.24 -0.11 0.00 -0.55 0.00 0.00 41.25 38.22 2aff s ASN 62 CO 0.02 -0.60 0.80 0.49 -2.79 0.00 0.00 177.10 175.03 2aff n PHE 63 N 5.69 0.00 -2.60 0.43 3.01 0.24 -4.87 117.46 119.36 2aff n PHE 63 Ca -0.06 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.98 2aff n PHE 63 Cb 0.48 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.91 2aff n PHE 63 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2aff s SER 64 N -2.40 6.22 0.10 4.37 1.04 0.36 -4.50 113.70 118.90 2aff s SER 64 Ca 0.10 -0.69 -0.11 0.00 0.48 0.00 0.00 55.95 55.73 2aff s SER 64 Cb 0.14 -2.54 -0.15 0.00 0.10 0.00 0.00 66.02 63.57 2aff s SER 64 CO 0.60 -1.72 1.28 0.28 0.98 0.00 0.00 173.24 174.66 2aff h SER 65 N 9.91 0.83 -0.59 7.02 0.02 -1.90 -2.31 113.55 126.52 2aff h SER 65 Ca -0.21 -0.60 -0.08 0.00 -0.84 0.00 0.00 61.79 60.05 2aff h SER 65 Cb 1.05 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 2aff h SER 65 CO 1.28 1.40 0.05 0.71 -1.14 0.00 0.00 176.83 179.13 2aff h THR 66 N 0.42 1.26 -2.13 -2.27 1.35 -1.99 -3.39 112.91 106.16 2aff h THR 66 Ca -0.08 -1.07 -0.40 0.00 -0.55 0.00 0.00 66.41 64.31 2aff h THR 66 Cb 1.52 0.73 -0.33 0.00 -1.73 0.00 0.00 68.15 68.34 2aff h THR 66 CO 0.17 0.39 -0.71 0.20 -0.25 0.00 0.00 175.52 175.33 2aff s ASN 67 N -6.56 1.67 0.49 5.36 0.01 -1.22 -5.14 114.94 109.56 2aff s ASN 67 Ca -0.11 -1.49 -0.22 0.00 -0.71 0.00 0.00 52.86 50.33 2aff s ASN 67 Cb 0.14 0.35 -0.08 0.00 0.41 0.00 0.00 41.25 42.07 2aff s ASN 67 CO 0.84 -0.30 1.02 -2.65 -1.51 0.00 0.00 177.10 174.50 2aff n PRO 68 N 4.48 1.25 -2.26 -0.60 -0.02 -0.87 -4.60 135.00 132.38 2aff n PRO 68 Ca 0.08 0.46 -0.35 0.00 -2.02 0.00 0.00 63.50 61.67 2aff n PRO 68 Cb 0.44 -2.14 -0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 -1.37 3.31 -0.03 3.45 2.01 -1.26 -4.84 115.64 116.90 2aff s THR 69 Ca 0.68 0.79 0.06 0.00 0.31 0.00 0.00 61.69 63.53 2aff s THR 69 Cb -0.49 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 2aff s THR 69 CO 0.53 -0.20 -0.20 -1.10 -0.69 0.00 0.00 174.62 172.96 2aff s GLN 70 N -3.37 2.28 -0.03 4.92 -0.21 -0.24 -1.20 119.66 121.81 2aff s GLN 70 Ca 0.71 -0.83 0.03 0.00 0.02 0.00 0.00 55.36 55.29 2aff s GLN 70 Cb -0.22 -2.20 0.00 0.00 1.00 0.00 0.00 33.01 31.60 2aff s GLN 70 CO 0.27 0.59 -0.10 0.08 -2.12 0.00 0.00 175.29 174.01 2aff s VAL 71 N -0.68 0.92 -1.18 1.09 1.01 0.39 0.21 120.40 122.16 2aff s VAL 71 Ca 0.11 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 2aff s VAL 71 Cb -0.10 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.49 2aff s VAL 71 CO -0.00 0.28 0.22 0.59 0.00 0.00 0.00 175.10 176.19 2aff n ASN 72 N 3.35 -4.07 -0.73 3.32 3.02 -0.83 0.68 115.26 120.01 2aff n ASN 72 Ca -0.19 -0.04 -0.07 0.00 -0.03 0.00 0.00 54.58 54.25 2aff n ASN 72 Cb 0.54 -3.40 -0.01 0.00 -0.61 0.00 0.00 39.78 36.29 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 -1.00 0.33 2.86 7.41 0.00 -1.26 -5.03 105.19 108.49 2aff n GLY 73 Ca -0.10 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.75 0.01 0.34 1.61 0.15 0.22 -5.10 113.70 108.17 2aff s SER 74 Ca 0.00 0.02 -0.28 0.00 0.70 0.00 0.00 55.95 56.39 2aff s SER 74 Cb 0.00 -0.00 -0.10 0.00 -1.71 0.00 0.00 66.02 64.21 2aff s SER 74 CO 0.00 -0.03 1.25 -0.69 1.20 0.00 0.00 173.24 174.97 2aff s VAL 75 N 0.21 2.91 -0.77 4.45 1.01 -1.26 0.15 120.40 127.10 2aff s VAL 75 Ca -0.02 0.89 -0.02 0.00 0.00 0.00 0.00 61.98 62.83 2aff s VAL 75 Cb -0.03 -3.56 0.19 0.00 0.00 0.00 0.00 36.38 32.99 2aff s VAL 75 CO -0.01 0.19 0.62 0.27 0.00 0.00 0.00 175.10 176.18 2aff s ILE 76 N -1.19 3.99 0.43 2.22 -4.36 -0.34 -4.87 121.20 117.08 2aff s ILE 76 Ca 0.50 -3.55 0.10 0.00 -0.26 0.00 0.00 60.65 57.44 2aff s ILE 76 Cb -0.37 -3.53 0.22 0.00 1.25 0.00 0.00 42.46 40.03 2aff s ILE 76 CO 0.49 -1.00 2.02 -0.78 0.24 0.00 0.00 174.94 175.91 2aff h ASP 77 N 6.36 0.25 -1.74 4.36 3.58 -1.94 -3.42 116.42 123.86 2aff h ASP 77 Ca 0.09 -0.03 -0.61 0.00 0.42 0.00 0.00 57.03 56.90 2aff h ASP 77 Cb 0.86 -0.06 -0.12 0.00 1.72 0.00 0.00 39.33 41.73 2aff h ASP 77 CO 0.78 0.28 -0.60 -1.83 -2.88 0.00 0.00 179.24 174.99 2aff s GLU 78 N -5.05 1.99 0.51 0.28 -1.05 -1.26 -4.88 118.70 109.24 2aff s GLU 78 Ca -0.06 -1.98 -0.23 0.00 -0.15 0.00 0.00 54.97 52.55 2aff s GLU 78 Cb 0.16 -1.75 -0.06 0.00 -0.44 0.00 0.00 34.13 32.04 2aff s GLU 78 CO 0.72 0.01 1.38 -2.30 0.95 0.00 0.00 175.26 176.01 2aff n PRO 79 N -0.97 1.87 -3.95 -4.83 -0.02 -1.26 -4.77 135.00 121.07 2aff n PRO 79 Ca -0.04 0.68 -0.13 0.00 -2.02 0.00 0.00 63.50 61.99 2aff n PRO 79 Cb 0.65 -2.59 -0.14 0.00 -0.02 0.00 0.00 33.50 31.40 2aff n PRO 79 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2aff s VAL 80 N -1.26 0.11 0.10 -1.45 0.11 -0.85 -4.99 120.40 112.18 2aff s VAL 80 Ca 0.68 -0.06 -0.30 0.00 -2.93 0.00 0.00 61.98 59.37 2aff s VAL 80 Cb -0.43 -0.10 -0.07 0.00 -1.53 0.00 0.00 36.38 34.25 2aff s VAL 80 CO 0.52 0.03 1.22 -0.13 -3.33 0.00 0.00 175.10 173.41 2aff s ARG 81 N -0.03 4.44 0.10 1.54 0.52 -1.26 -0.72 118.95 123.54 2aff s ARG 81 Ca 0.01 1.83 -0.24 0.00 -0.52 0.00 0.00 55.73 56.80 2aff s ARG 81 Cb -0.01 -3.31 -0.07 0.00 0.52 0.00 0.00 34.95 32.09 2aff s ARG 81 CO -0.00 -0.22 0.75 -0.51 0.02 0.00 0.00 175.30 175.33 2aff s LEU 82 N 0.69 4.52 0.10 2.53 1.43 0.38 -4.90 118.68 123.45 2aff s LEU 82 Ca 0.58 1.52 0.07 0.00 -1.03 0.00 0.00 54.13 55.26 2aff s LEU 82 Cb -0.31 -3.22 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 2aff s LEU 82 CO 0.31 0.13 -0.18 -0.54 0.23 0.00 0.00 176.35 176.30 2aff s LYS 83 N -0.66 1.05 0.03 1.70 1.02 -1.26 -4.37 119.74 117.25 2aff s LYS 83 Ca 0.36 -1.14 -0.33 0.00 0.02 0.00 0.00 55.97 54.88 2aff s LYS 83 Cb -0.22 -1.19 -0.12 0.00 -0.52 0.00 0.00 37.83 35.79 2aff s LYS 83 CO 0.24 0.27 1.83 1.58 -0.92 0.00 0.00 175.35 178.34 2aff n HIS 84 N 0.99 2.42 0.00 3.18 -0.00 -1.26 -1.25 115.22 119.29 2aff n HIS 84 Ca -0.19 -0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.49 2aff n HIS 84 Cb 0.54 -2.68 0.00 0.00 -0.00 0.00 0.00 29.99 27.86 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 2.79 3.76 1.57 0.00 -0.92 -4.99 105.19 111.58 2aff n GLY 85 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.13 6.91 -0.13 1.61 1.01 -0.38 -4.81 116.67 119.74 2aff s ASP 86 Ca 0.00 2.52 -0.01 0.00 0.71 0.00 0.00 52.55 55.77 2aff s ASP 86 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 2aff s ASP 86 CO 0.00 -0.45 -0.09 -0.69 0.21 0.00 0.00 175.17 174.16 2aff s VAL 87 N -0.80 3.45 -0.07 -1.27 1.01 -1.26 -2.17 120.40 119.28 2aff s VAL 87 Ca 0.50 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 2aff s VAL 87 Cb -0.37 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 2aff s VAL 87 CO 0.46 0.52 0.42 -0.63 0.00 0.00 0.00 175.10 175.88 2aff s ILE 88 N 0.22 5.13 -0.09 2.22 1.01 -1.01 -1.96 121.20 126.72 2aff s ILE 88 Ca -0.06 0.85 0.02 0.00 0.00 0.00 0.00 60.65 61.46 2aff s ILE 88 Cb -0.15 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.59 2aff s ILE 88 CO 0.04 0.44 -0.14 -0.89 0.00 0.00 0.00 174.94 174.40 2aff s THR 89 N -0.13 1.36 -0.18 2.92 2.01 0.55 -0.99 115.64 121.17 2aff s THR 89 Ca 0.24 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 61.63 2aff s THR 89 Cb -0.16 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.09 2aff s THR 89 CO 0.11 0.41 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.78 2aff s ILE 90 N 0.93 3.63 0.00 1.82 1.01 0.82 -1.08 121.20 128.34 2aff s ILE 90 Ca -0.08 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.14 2aff s ILE 90 Cb -0.15 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.70 2aff s ILE 90 CO -0.00 0.46 0.00 -0.38 0.00 0.00 0.00 174.94 175.02 2aff n ILE 91 N 4.09 0.00 -1.45 2.92 5.41 -1.26 0.29 119.36 129.36 2aff n ILE 91 Ca -0.18 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.64 2aff n ILE 91 Cb 0.52 0.00 0.10 0.00 -0.71 0.00 0.00 39.64 39.55 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 1.13 1.54 -4.14 4.38 2.03 -1.26 -5.04 116.55 115.19 2aff n ASP 92 Ca 0.00 -2.78 -0.22 0.00 0.52 0.00 0.00 54.79 52.31 2aff n ASP 92 Cb 0.00 -0.36 -0.14 0.00 -0.72 0.00 0.00 41.12 39.90 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 -1.93 1.07 0.03 -0.67 0.52 0.85 -4.89 118.95 113.94 2aff s ARG 93 Ca 0.23 -0.68 -0.00 0.00 -0.52 0.00 0.00 55.73 54.76 2aff s ARG 93 Cb 0.21 -1.08 -0.03 0.00 0.52 0.00 0.00 34.95 34.57 2aff s ARG 93 CO 0.01 0.28 -0.03 -1.54 0.02 0.00 0.00 175.30 174.03 2aff s SER 94 N -0.83 0.40 -0.15 0.23 1.04 -1.26 0.29 113.70 113.42 2aff s SER 94 Ca 0.04 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.78 2aff s SER 94 Cb -0.07 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.20 2aff s SER 94 CO 0.01 -0.41 -0.16 -0.36 0.98 0.00 0.00 173.24 173.30 2aff s PHE 95 N -2.40 2.29 -0.01 5.02 0.40 -0.16 -2.51 117.98 120.61 2aff s PHE 95 Ca -0.07 -1.25 -0.30 0.00 -0.60 0.00 0.00 56.93 54.71 2aff s PHE 95 Cb -0.03 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 2aff s PHE 95 CO -0.04 -0.65 1.24 0.50 0.70 0.00 0.00 175.22 176.96 2aff s ARG 96 N 1.28 4.36 -0.25 0.44 3.52 -0.86 -2.40 118.95 125.05 2aff s ARG 96 Ca 0.01 1.75 -0.16 0.00 -0.13 0.00 0.00 55.73 57.21 2aff s ARG 96 Cb -0.14 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 2aff s ARG 96 CO -0.08 -0.42 0.41 -0.47 -0.81 0.00 0.00 175.30 173.93 2aff s TYR 97 N 1.92 3.28 -0.14 5.12 5.04 -0.92 -2.44 117.35 129.21 2aff s TYR 97 Ca 0.58 0.52 -0.01 0.00 -2.44 0.00 0.00 57.07 55.72 2aff s TYR 97 Cb -0.27 -2.60 0.04 0.00 0.35 0.00 0.00 41.96 39.48 2aff s TYR 97 CO 0.25 -0.18 -0.03 -2.00 -1.34 0.00 0.00 175.55 172.24 2aff s GLU 98 N 1.93 1.13 0.15 4.97 2.12 -0.82 -2.17 118.70 126.01 2aff s GLU 98 Ca 0.18 -0.29 -0.12 0.00 0.36 0.00 0.00 54.97 55.09 2aff s GLU 98 Cb -0.15 -1.68 0.03 0.00 0.26 0.00 0.00 34.13 32.59 2aff s GLU 98 CO 0.09 -0.40 1.64 -0.91 -0.54 0.00 0.00 175.26 175.14 2aff h ASN 99 N 8.20 0.82 0.00 -1.70 2.35 -1.85 0.13 115.58 123.53 2aff h ASN 99 Ca -0.23 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 2aff h ASN 99 Cb 1.12 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.27 2aff h ASN 99 CO 0.36 0.87 0.00 -0.62 -1.65 0.00 0.00 177.43 176.39