#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 -2.98 0.52 5.66 -1.26 -5.10 114.28 111.11 2aff n THR 4 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 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 4.29 0.00 1.09 0.52 -0.80 -2.89 118.95 121.16 2aff s ARG 5 Ca 0.00 0.87 0.03 0.00 -0.52 0.00 0.00 55.73 56.11 2aff s ARG 5 Cb 0.00 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 2aff s ARG 5 CO 0.00 -0.24 -0.09 1.03 0.02 0.00 0.00 175.30 176.03 2aff s ARG 6 N 1.86 0.67 -0.11 3.54 0.52 0.11 -1.05 118.95 124.49 2aff s ARG 6 Ca 0.35 -0.37 0.02 0.00 -0.52 0.00 0.00 55.73 55.22 2aff s ARG 6 Cb -0.16 -0.64 -0.01 0.00 0.52 0.00 0.00 34.95 34.66 2aff s ARG 6 CO 0.13 0.17 -0.19 -1.17 0.02 0.00 0.00 175.30 174.25 2aff s LEU 7 N -0.39 2.37 -0.13 2.53 2.96 -0.93 -0.93 118.68 124.16 2aff s LEU 7 Ca 0.02 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.45 2aff s LEU 7 Cb -0.04 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 2aff s LEU 7 CO -0.00 0.17 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.48 2aff s VAL 8 N 0.27 3.92 -0.41 1.68 1.01 -0.50 0.13 120.40 126.50 2aff s VAL 8 Ca -0.14 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 61.29 2aff s VAL 8 Cb -0.17 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.54 2aff s VAL 8 CO 0.07 0.52 0.60 -0.89 0.00 0.00 0.00 175.10 175.41 2aff s THR 9 N 0.03 4.89 0.40 3.92 2.01 -0.90 -1.38 115.64 124.62 2aff s THR 9 Ca 0.00 0.19 -0.23 0.00 0.31 0.00 0.00 61.69 61.97 2aff s THR 9 Cb -0.13 -4.13 -0.10 0.00 0.01 0.00 0.00 72.50 68.14 2aff s THR 9 CO 0.03 -0.48 0.97 -0.63 -0.69 0.00 0.00 174.62 173.82 2aff s ILE 10 N 2.68 4.17 0.36 1.82 1.01 -0.95 -2.30 121.20 127.99 2aff s ILE 10 Ca 0.21 1.51 -0.02 0.00 0.00 0.00 0.00 60.65 62.35 2aff s ILE 10 Cb -0.15 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 2aff s ILE 10 CO 0.17 -0.14 0.60 -0.54 0.00 0.00 0.00 174.94 175.04 2aff s LYS 11 N -2.78 3.54 0.58 2.79 1.02 -0.37 -4.61 119.74 119.91 2aff s LYS 11 Ca 0.59 -0.11 0.27 0.00 0.02 0.00 0.00 55.97 56.74 2aff s LYS 11 Cb -0.14 -2.59 1.63 0.00 -0.52 0.00 0.00 37.83 36.20 2aff s LYS 11 CO 0.19 0.09 2.14 0.00 -0.92 0.00 0.00 175.35 176.85 2aff h ARG 12 N 0.92 0.00 0.00 1.68 3.08 -1.88 0.17 114.38 118.36 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 0.63 0.00 -0.04 -1.13 -1.07 0.00 0.00 179.97 178.36 2aff n SER 13 N -3.95 0.32 0.00 7.04 3.41 -1.26 -4.91 113.62 114.26 2aff n SER 13 Ca 0.00 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 2aff n SER 13 Cb 0.25 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 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 1.26 3.36 5.00 0.00 0.61 -5.10 105.19 111.76 2aff n GLY 14 Ca 0.06 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2aff n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aff s VAL 15 N -2.00 2.59 0.08 1.61 -7.23 -1.25 -4.87 120.40 109.32 2aff s VAL 15 Ca 0.00 -0.88 -0.31 0.00 -1.81 0.00 0.00 61.98 58.98 2aff s VAL 15 Cb 0.00 -1.99 -0.08 0.00 0.56 0.00 0.00 36.38 34.87 2aff s VAL 15 CO 0.00 0.57 1.58 -0.62 -0.31 0.00 0.00 175.10 176.32 2aff s ASP 16 N -0.33 6.65 0.00 4.85 -1.08 -1.26 -1.23 116.67 124.28 2aff s ASP 16 Ca 0.02 2.44 0.00 0.00 -0.52 0.00 0.00 52.55 54.49 2aff s ASP 16 Cb -0.13 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 2aff s ASP 16 CO 0.02 -0.83 0.00 0.61 0.52 0.00 0.00 175.17 175.49 2aff n GLY 17 N 3.86 1.49 3.79 2.66 0.00 -0.97 -4.92 105.19 111.09 2aff n GLY 17 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 3.86 3.67 0.30 1.61 0.04 -1.26 -4.80 135.00 138.43 2aff s PRO 18 Ca 0.00 1.38 0.08 0.00 0.04 0.00 0.00 61.00 62.49 2aff s PRO 18 Cb 0.00 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2aff s PRO 18 CO 0.00 -0.54 0.19 -3.38 0.04 0.00 0.00 177.00 173.31 2aff s HIS 19 N -2.01 2.90 -0.45 0.56 -3.43 -1.26 -2.12 115.29 109.47 2aff s HIS 19 Ca 0.68 -0.24 0.02 0.00 -0.80 0.00 0.00 55.06 54.72 2aff s HIS 19 Cb -0.17 -1.55 0.14 0.00 -1.43 0.00 0.00 32.58 29.57 2aff s HIS 19 CO 0.23 0.39 0.26 0.12 -2.00 0.00 0.00 174.74 173.74 2aff s PHE 20 N -2.28 2.04 0.21 0.38 5.36 0.34 -4.93 117.98 119.11 2aff s PHE 20 Ca 0.36 -2.48 -0.31 0.00 -0.96 0.00 0.00 56.93 53.54 2aff s PHE 20 Cb -0.06 -1.90 -0.11 0.00 -0.34 0.00 0.00 43.02 40.61 2aff s PHE 20 CO 0.24 -0.77 1.65 -2.14 -1.46 0.00 0.00 175.22 172.74 2aff s PRO 21 N 0.24 4.15 -0.26 10.12 0.02 -1.26 -2.19 135.00 145.82 2aff s PRO 21 Ca 0.19 2.53 -0.12 0.00 0.02 0.00 0.00 61.00 63.62 2aff s PRO 21 Cb -0.22 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.17 2aff s PRO 21 CO -0.02 -0.68 0.24 -0.51 -0.33 0.00 0.00 177.00 175.70 2aff s LEU 22 N 0.82 4.05 -0.04 -5.54 1.43 -0.22 -4.87 118.68 114.32 2aff s LEU 22 Ca 0.71 0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.98 2aff s LEU 22 Cb -0.48 -2.21 -0.07 0.00 0.03 0.00 0.00 46.19 43.47 2aff s LEU 22 CO 0.35 -0.06 0.04 -1.54 0.23 0.00 0.00 176.35 175.37 2aff n SER 23 N 4.91 3.71 -4.79 2.29 3.41 -1.26 -4.39 113.62 117.51 2aff n SER 23 Ca -0.13 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.12 2aff n SER 23 Cb 0.52 0.73 -0.06 0.00 -0.26 0.00 0.00 64.21 65.14 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 -4.22 4.22 0.00 1.04 1.43 -1.26 -4.94 118.68 114.94 2aff s LEU 24 Ca -0.02 1.87 0.17 0.00 -1.03 0.00 0.00 54.13 55.12 2aff s LEU 24 Cb 0.02 -4.15 0.79 0.00 0.03 0.00 0.00 46.19 42.88 2aff s LEU 24 CO 0.22 -0.24 1.54 -1.20 0.23 0.00 0.00 176.35 176.90 2aff n SER 25 N 0.18 0.00 -3.93 2.29 7.64 -1.26 -4.69 113.62 113.86 2aff n SER 25 Ca 0.04 0.31 -0.17 0.00 1.01 0.00 0.00 58.87 60.06 2aff n SER 25 Cb 0.51 -0.41 -0.15 0.00 -1.01 0.00 0.00 64.21 63.14 2aff n SER 25 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2aff s THR 26 N -2.83 0.43 -0.16 0.44 2.01 -1.26 -1.25 115.64 113.03 2aff s THR 26 Ca 0.12 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.95 2aff s THR 26 Cb 0.11 -0.41 0.03 0.00 0.01 0.00 0.00 72.50 72.24 2aff s THR 26 CO 0.29 0.16 -0.10 0.00 -0.69 0.00 0.00 174.62 174.28 2aff s LEU 28 N 1.53 2.77 -0.11 0.00 2.96 -1.26 -0.08 118.68 124.48 2aff s LEU 28 Ca 0.02 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 2aff s LEU 28 Cb -0.14 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 2aff s LEU 28 CO -0.09 0.20 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.71 2aff s PHE 29 N 0.13 2.93 -4.43 5.38 0.40 0.18 0.57 117.98 123.15 2aff s PHE 29 Ca -0.06 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 2aff s PHE 29 Cb -0.15 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.55 2aff s PHE 29 CO 0.05 0.07 0.00 0.41 0.70 0.00 0.00 175.22 176.44 2aff n GLY 30 N 3.00 -1.66 0.09 4.36 0.00 -0.97 -2.25 105.19 107.76 2aff n GLY 30 Ca -0.18 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 0.12 -6.54 1.61 3.08 -1.07 -3.02 114.38 108.55 2aff h ARG 31 Ca 0.00 -0.20 -0.58 0.00 0.07 0.00 0.00 59.98 59.27 2aff h ARG 31 Cb 0.00 0.07 0.17 0.00 0.08 0.00 0.00 29.97 30.29 2aff h ARG 31 CO 0.00 0.97 -0.33 0.41 -1.07 0.00 0.00 179.97 179.95 2aff n GLY 32 N 1.52 -1.35 0.24 0.04 0.00 -0.98 -4.87 105.19 99.78 2aff n GLY 32 Ca -0.10 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 2aff n GLY 32 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2aff h ILE 33 N 0.28 1.23 -0.10 -0.61 1.08 -1.90 -2.27 117.51 115.21 2aff h ILE 33 Ca -0.46 -0.77 0.03 0.00 -0.39 0.00 0.00 64.86 63.27 2aff h ILE 33 Cb 1.40 0.78 -0.00 0.00 -3.07 0.00 0.00 36.82 35.92 2aff h ILE 33 CO 0.48 0.28 0.34 -0.33 -0.69 0.00 0.00 178.15 178.23 2aff h GLU 34 N 0.69 0.00 -6.25 2.37 5.08 -1.95 -3.42 114.58 111.10 2aff h GLU 34 Ca 0.16 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.93 2aff h GLU 34 Cb 0.28 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.54 2aff h GLU 34 CO -0.00 0.00 1.19 0.00 -1.00 0.00 0.00 179.01 179.20 2aff h ASP 36 N 10.34 0.11 -3.29 0.00 3.32 -0.12 -3.34 116.42 123.43 2aff h ASP 36 Ca -0.47 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 55.96 2aff h ASP 36 Cb 1.26 -0.02 -0.36 0.00 0.22 0.00 0.00 39.33 40.43 2aff h ASP 36 CO 0.95 0.07 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.09 2aff s ILE 37 N -5.14 1.70 -0.15 0.35 1.01 -0.28 -4.95 121.20 113.74 2aff s ILE 37 Ca -0.06 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.63 2aff s ILE 37 Cb 0.19 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 2aff s ILE 37 CO 0.71 0.32 0.08 -0.13 0.00 0.00 0.00 174.94 175.92 2aff s ARG 38 N 1.40 3.69 -0.10 2.79 0.52 -1.26 -2.29 118.95 123.71 2aff s ARG 38 Ca 0.01 -0.29 0.04 0.00 -0.52 0.00 0.00 55.73 54.98 2aff s ARG 38 Cb -0.15 -3.16 -0.01 0.00 0.52 0.00 0.00 34.95 32.16 2aff s ARG 38 CO -0.10 0.48 -0.22 0.42 0.02 0.00 0.00 175.30 175.91 2aff s ILE 39 N -0.22 2.27 -0.53 1.52 1.01 -1.14 -4.99 121.20 119.13 2aff s ILE 39 Ca 0.08 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.78 2aff s ILE 39 Cb -0.12 -1.88 0.03 0.00 0.01 0.00 0.00 42.46 40.50 2aff s ILE 39 CO 0.01 0.56 0.77 0.00 0.00 0.00 0.00 174.94 176.28 2aff n GLN 40 N 3.38 1.10 -3.17 2.79 6.02 -1.26 -4.57 117.38 121.67 2aff n GLN 40 Ca -0.18 -0.11 -0.39 0.00 -0.01 0.00 0.00 57.00 56.30 2aff n GLN 40 Cb 0.53 -1.30 -0.06 0.00 1.02 0.00 0.00 30.24 30.43 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 -0.11 4.21 0.17 1.08 1.43 -1.26 -4.95 118.68 119.25 2aff s LEU 41 Ca 0.02 0.88 0.20 0.00 -1.03 0.00 0.00 54.13 54.20 2aff s LEU 41 Cb 0.02 -2.86 0.84 0.00 0.03 0.00 0.00 46.19 44.22 2aff s LEU 41 CO 0.00 -0.16 1.60 -0.81 0.23 0.00 0.00 176.35 177.21 2aff n PRO 42 N 4.42 0.12 -0.24 1.29 -0.04 -1.26 -2.32 135.00 136.96 2aff n PRO 42 Ca -0.03 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 63.94 2aff n PRO 42 Cb 0.51 -1.75 0.25 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.98 0.64 -3.27 0.52 0.24 -1.26 -4.90 118.33 108.33 2aff n VAL 43 Ca 0.02 -0.82 -0.38 0.00 -2.04 0.00 0.00 64.34 61.12 2aff n VAL 43 Cb 0.19 0.84 -0.06 0.00 -1.47 0.00 0.00 33.84 33.34 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 -1.36 5.09 1.10 3.34 1.01 -0.98 -4.90 120.40 123.69 2aff s VAL 44 Ca 0.42 1.08 -0.13 0.00 0.00 0.00 0.00 61.98 63.36 2aff s VAL 44 Cb 0.24 -3.87 0.25 0.00 0.00 0.00 0.00 36.38 33.00 2aff s VAL 44 CO 0.32 0.36 1.06 -0.55 0.00 0.00 0.00 175.10 176.29 2aff s SER 45 N 0.30 1.64 0.14 3.32 0.15 -1.26 -4.49 113.70 113.49 2aff s SER 45 Ca 0.29 1.38 -0.15 0.00 0.70 0.00 0.00 55.95 58.16 2aff s SER 45 Cb -0.16 -2.11 0.01 0.00 -1.71 0.00 0.00 66.02 62.05 2aff s SER 45 CO 0.13 -3.77 1.71 0.11 1.20 0.00 0.00 173.24 172.62 2aff h LYS 46 N -2.33 0.63 0.00 5.44 1.57 -1.94 -2.03 116.57 117.92 2aff h LYS 46 Ca -0.59 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.09 2aff h LYS 46 Cb 1.33 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2aff h LYS 46 CO 0.53 0.55 -0.64 1.04 -0.57 0.00 0.00 179.45 180.36 2aff n GLN 47 N -4.65 3.28 0.00 3.15 6.02 -1.26 -2.33 117.38 121.59 2aff n GLN 47 Ca 0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2aff n GLN 47 Cb 0.12 -0.94 0.00 0.00 1.02 0.00 0.00 30.24 30.44 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 -1.35 0.00 -4.43 1.08 -0.00 -1.02 -3.87 115.22 105.64 2aff n HIS 48 Ca 0.01 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.98 2aff n HIS 48 Cb 0.14 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.85 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 0.08 2.05 -0.11 0.00 2.20 -0.45 0.50 119.74 124.01 2aff s LYS 50 Ca -0.02 -0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 55.07 2aff s LYS 50 Cb -0.08 -1.72 -0.03 0.00 -1.51 0.00 0.00 37.83 34.49 2aff s LYS 50 CO 0.00 -0.02 -0.07 0.42 -0.36 0.00 0.00 175.35 175.32 2aff s ILE 51 N 0.87 3.61 -0.19 5.43 1.01 0.88 0.19 121.20 133.00 2aff s ILE 51 Ca -0.10 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 2aff s ILE 51 Cb -0.15 -2.52 0.01 0.00 0.01 0.00 0.00 42.46 39.80 2aff s ILE 51 CO 0.01 0.54 -0.14 -1.61 0.00 0.00 0.00 174.94 173.74 2aff s GLU 52 N -0.12 3.17 -0.33 2.79 0.41 0.07 -1.85 118.70 122.84 2aff s GLU 52 Ca 0.01 -0.74 -0.08 0.00 -0.41 0.00 0.00 54.97 53.75 2aff s GLU 52 Cb -0.13 -2.72 0.02 0.00 -1.78 0.00 0.00 34.13 29.51 2aff s GLU 52 CO 0.03 -0.15 0.13 0.42 -0.49 0.00 0.00 175.26 175.20 2aff s ILE 53 N 1.22 4.15 0.01 -1.63 1.01 -0.38 -0.41 121.20 125.19 2aff s ILE 53 Ca 0.02 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.90 2aff s ILE 53 Cb -0.14 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 2aff s ILE 53 CO -0.06 -0.07 -0.08 -1.00 0.00 0.00 0.00 174.94 173.73 2aff s HIS 54 N 1.50 2.85 0.51 3.97 3.76 0.66 -4.87 115.29 123.67 2aff s HIS 54 Ca 0.02 -0.07 0.43 0.00 -0.15 0.00 0.00 55.06 55.29 2aff s HIS 54 Cb -0.18 -1.58 1.63 0.00 1.11 0.00 0.00 32.58 33.56 2aff s HIS 54 CO 0.04 0.36 1.59 1.49 -0.85 0.00 0.00 174.74 177.38 2aff h GLU 55 N 4.47 0.01 0.15 1.40 4.81 -2.01 0.34 114.58 123.75 2aff h GLU 55 Ca -0.48 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2aff h GLU 55 Cb 1.17 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2aff h GLU 55 CO 0.53 0.01 -0.07 1.96 -0.73 0.00 0.00 179.01 180.71 2aff h GLN 56 N 0.01 -0.20 0.00 1.92 4.20 -2.01 -3.49 115.11 115.55 2aff h GLN 56 Ca 0.89 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.60 2aff h GLN 56 Cb 3.32 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 31.14 2aff h GLN 56 CO -0.17 -0.13 0.03 -0.85 -0.67 0.00 0.00 178.83 177.04 2aff n GLU 57 N -2.65 0.19 -4.03 1.46 0.28 0.12 -5.15 120.64 110.86 2aff n GLU 57 Ca -0.03 -0.44 -0.35 0.00 -0.16 0.00 0.00 57.16 56.19 2aff n GLU 57 Cb 0.08 0.51 -0.13 0.00 1.43 0.00 0.00 31.44 33.33 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2aff s ALA 58 N -1.34 2.98 -0.14 -1.84 0.00 -1.26 -0.25 121.76 119.91 2aff s ALA 58 Ca 0.04 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 2aff s ALA 58 Cb -0.01 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.34 2aff s ALA 58 CO 0.03 -0.23 -0.13 0.42 0.00 0.00 0.00 175.76 175.84 2aff s ILE 59 N 1.15 2.94 -0.17 0.00 1.01 0.46 0.99 121.20 127.57 2aff s ILE 59 Ca 0.03 -0.69 -0.16 0.00 0.00 0.00 0.00 60.65 59.82 2aff s ILE 59 Cb -0.14 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 2aff s ILE 59 CO 0.01 0.52 0.41 -0.22 0.00 0.00 0.00 174.94 175.65 2aff s LEU 60 N 0.55 4.21 -0.08 2.97 2.96 -0.11 -0.75 118.68 128.42 2aff s LEU 60 Ca -0.09 0.61 0.03 0.00 -0.22 0.00 0.00 54.13 54.46 2aff s LEU 60 Cb -0.16 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.97 2aff s LEU 60 CO 0.04 -0.03 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.88 2aff s HIS 61 N 0.97 2.70 -0.37 5.38 3.76 0.13 -2.06 115.29 125.80 2aff s HIS 61 Ca 0.21 -0.43 -0.13 0.00 -0.15 0.00 0.00 55.06 54.56 2aff s HIS 61 Cb -0.14 -1.71 0.01 0.00 1.11 0.00 0.00 32.58 31.85 2aff s HIS 61 CO 0.08 -0.03 0.24 1.21 -0.85 0.00 0.00 174.74 175.39 2aff s ASN 62 N -0.23 5.93 0.00 1.40 3.04 -1.26 -1.33 114.94 122.49 2aff s ASN 62 Ca 0.00 -0.75 0.19 0.00 0.04 0.00 0.00 52.86 52.34 2aff s ASN 62 Cb -0.13 -2.10 -0.09 0.00 -1.54 0.00 0.00 41.25 37.38 2aff s ASN 62 CO 0.03 -0.35 0.90 0.49 -3.04 0.00 0.00 177.10 175.13 2aff n PHE 63 N 5.08 0.00 -2.22 0.43 3.01 -0.80 -4.88 117.46 118.09 2aff n PHE 63 Ca -0.12 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.94 2aff n PHE 63 Cb 0.48 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.92 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 -2.46 5.62 0.00 4.37 0.15 -0.23 -4.65 113.70 116.50 2aff s SER 64 Ca 0.12 0.12 0.27 0.00 0.70 0.00 0.00 55.95 57.17 2aff s SER 64 Cb 0.15 -2.54 0.92 0.00 -1.71 0.00 0.00 66.02 62.84 2aff s SER 64 CO 0.62 -2.14 1.70 -1.20 1.20 0.00 0.00 173.24 173.41 2aff n SER 65 N 11.41 0.29 -0.09 5.45 7.64 -1.26 -3.36 113.62 133.70 2aff n SER 65 Ca 0.15 0.02 -0.18 0.00 1.01 0.00 0.00 58.87 59.86 2aff n SER 65 Cb 0.51 -0.12 -0.13 0.00 -1.01 0.00 0.00 64.21 63.46 2aff n SER 65 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2aff n THR 66 N -1.41 1.57 -3.36 0.44 -1.04 -1.26 -4.88 114.28 104.34 2aff n THR 66 Ca 0.07 -0.62 -0.14 0.00 -2.04 0.00 0.00 64.05 61.32 2aff n THR 66 Cb 0.33 -1.43 -0.08 0.00 -1.82 0.00 0.00 70.33 67.33 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 -6.59 1.11 0.55 8.00 0.01 -1.25 -5.15 114.94 111.63 2aff s ASN 67 Ca -0.29 -0.77 -0.21 0.00 -0.71 0.00 0.00 52.86 50.89 2aff s ASN 67 Cb 0.08 0.74 -0.06 0.00 0.41 0.00 0.00 41.25 42.42 2aff s ASN 67 CO 0.67 -0.35 1.09 -2.65 -1.51 0.00 0.00 177.10 174.35 2aff n PRO 68 N 5.14 1.23 -2.24 -0.60 -0.02 -1.21 -4.67 135.00 132.63 2aff n PRO 68 Ca 0.01 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 2aff n PRO 68 Cb 0.47 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.40 3.04 -0.12 3.45 2.01 -1.26 -4.76 115.64 116.61 2aff s THR 69 Ca 0.72 1.01 -0.06 0.00 0.31 0.00 0.00 61.69 63.66 2aff s THR 69 Cb -0.45 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2aff s THR 69 CO 0.50 0.22 0.12 -1.10 -0.69 0.00 0.00 174.62 173.67 2aff s GLN 70 N -1.33 3.40 -0.03 4.92 -0.21 0.95 -1.78 119.66 125.59 2aff s GLN 70 Ca 0.49 -0.17 0.03 0.00 0.02 0.00 0.00 55.36 55.73 2aff s GLN 70 Cb -0.37 -3.14 0.00 0.00 1.00 0.00 0.00 33.01 30.50 2aff s GLN 70 CO 0.46 0.75 -0.10 0.08 -2.12 0.00 0.00 175.29 174.36 2aff s VAL 71 N -0.96 0.87 -1.37 1.09 1.01 0.14 0.32 120.40 121.49 2aff s VAL 71 Ca 0.14 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 2aff s VAL 71 Cb -0.12 -0.77 0.04 0.00 0.00 0.00 0.00 36.38 35.53 2aff s VAL 71 CO 0.04 0.27 0.46 0.59 0.00 0.00 0.00 175.10 176.46 2aff n ASN 72 N 3.25 -4.70 -1.33 3.32 3.02 -0.96 -0.44 115.26 117.42 2aff n ASN 72 Ca -0.18 -0.27 -0.11 0.00 -0.03 0.00 0.00 54.58 53.98 2aff n ASN 72 Cb 0.54 -3.85 -0.00 0.00 -0.61 0.00 0.00 39.78 35.85 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 -1.26 -0.09 2.97 7.41 0.00 -1.26 -5.02 105.19 107.94 2aff n GLY 73 Ca -0.07 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 2aff n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aff s SER 74 N -2.51 -0.13 0.27 1.61 0.01 0.42 -5.13 113.70 108.24 2aff s SER 74 Ca 0.01 0.29 -0.29 0.00 1.31 0.00 0.00 55.95 57.26 2aff s SER 74 Cb -0.01 0.23 -0.10 0.00 0.21 0.00 0.00 66.02 66.36 2aff s SER 74 CO 0.01 -0.10 1.28 0.54 0.41 0.00 0.00 173.24 175.39 2aff s VAL 75 N 0.64 3.01 -0.45 3.43 0.11 -1.26 0.26 120.40 126.14 2aff s VAL 75 Ca -0.05 0.94 -0.13 0.00 -2.93 0.00 0.00 61.98 59.81 2aff s VAL 75 Cb -0.06 -3.60 0.07 0.00 -1.53 0.00 0.00 36.38 31.26 2aff s VAL 75 CO -0.03 0.19 0.34 -0.63 -3.33 0.00 0.00 175.10 171.64 2aff s ILE 76 N -0.65 4.84 0.15 7.04 1.01 -0.73 -4.89 121.20 127.97 2aff s ILE 76 Ca 0.51 -1.19 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 2aff s ILE 76 Cb -0.37 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.19 2aff s ILE 76 CO 0.45 -0.54 1.56 0.44 0.00 0.00 0.00 174.94 176.85 2aff h ASP 77 N 8.62 0.96 -3.09 3.58 3.32 -1.94 -3.42 116.42 124.44 2aff h ASP 77 Ca -0.26 -0.37 -0.49 0.00 0.02 0.00 0.00 57.03 55.93 2aff h ASP 77 Cb 1.10 -0.26 -0.14 0.00 0.22 0.00 0.00 39.33 40.25 2aff h ASP 77 CO 0.83 1.10 -0.60 -1.61 -1.72 0.00 0.00 179.24 177.24 2aff s GLU 78 N -4.78 1.71 0.61 3.56 2.02 -1.26 -4.99 118.70 115.57 2aff s GLU 78 Ca -0.12 -1.96 -0.19 0.00 0.02 0.00 0.00 54.97 52.72 2aff s GLU 78 Cb 0.12 -0.90 -0.03 0.00 0.10 0.00 0.00 34.13 33.42 2aff s GLU 78 CO 0.85 -0.21 1.29 -2.30 0.02 0.00 0.00 175.26 174.92 2aff n PRO 79 N -0.74 1.29 -3.81 0.39 -0.02 -1.26 -4.84 135.00 126.02 2aff n PRO 79 Ca -0.03 0.49 -0.12 0.00 -2.02 0.00 0.00 63.50 61.82 2aff n PRO 79 Cb 0.66 -2.52 -0.09 0.00 -0.02 0.00 0.00 33.50 31.53 2aff n PRO 79 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2aff s VAL 80 N -1.36 0.06 0.05 -1.45 -7.23 -0.88 -5.00 120.40 104.60 2aff s VAL 80 Ca 0.79 -0.51 -0.31 0.00 -1.81 0.00 0.00 61.98 60.14 2aff s VAL 80 Cb -0.40 -0.52 -0.06 0.00 0.56 0.00 0.00 36.38 35.97 2aff s VAL 80 CO 0.44 -0.28 1.26 -0.60 -0.31 0.00 0.00 175.10 175.61 2aff s ARG 81 N -1.19 4.38 0.06 4.82 3.52 -1.26 -0.94 118.95 128.35 2aff s ARG 81 Ca -0.13 1.85 -0.24 0.00 -0.13 0.00 0.00 55.73 57.08 2aff s ARG 81 Cb -0.06 -3.38 -0.06 0.00 -1.56 0.00 0.00 34.95 29.89 2aff s ARG 81 CO 0.03 -0.36 0.74 -0.51 -0.81 0.00 0.00 175.30 174.39 2aff s LEU 82 N 1.37 4.48 0.11 -0.88 1.43 0.28 -4.90 118.68 120.56 2aff s LEU 82 Ca 0.60 1.44 0.11 0.00 -1.03 0.00 0.00 54.13 55.25 2aff s LEU 82 Cb -0.31 -3.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2aff s LEU 82 CO 0.28 0.08 -0.27 -0.75 0.23 0.00 0.00 176.35 175.92 2aff s LYS 83 N -0.34 1.48 -0.09 1.70 2.20 -1.26 -4.32 119.74 119.11 2aff s LYS 83 Ca 0.37 -1.30 -0.37 0.00 -0.36 0.00 0.00 55.97 54.31 2aff s LYS 83 Cb -0.21 -1.92 -0.14 0.00 -1.51 0.00 0.00 37.83 34.05 2aff s LYS 83 CO 0.23 0.46 1.70 1.58 -0.36 0.00 0.00 175.35 178.96 2aff n HIS 84 N 1.07 2.09 0.00 4.03 -0.00 -1.26 -0.34 115.22 120.80 2aff n HIS 84 Ca -0.18 0.33 0.00 0.00 -0.00 0.00 0.00 57.72 57.88 2aff n HIS 84 Cb 0.53 -2.52 0.00 0.00 -0.00 0.00 0.00 29.99 28.00 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 3.88 1.76 3.76 1.57 0.00 -0.95 -4.99 105.19 110.23 2aff n GLY 85 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.62 6.78 -0.12 1.61 1.01 0.53 -4.78 116.67 120.08 2aff s ASP 86 Ca 0.00 2.66 -0.02 0.00 0.71 0.00 0.00 52.55 55.90 2aff s ASP 86 Cb 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 2aff s ASP 86 CO 0.00 -0.54 -0.06 -0.69 0.21 0.00 0.00 175.17 174.09 2aff s VAL 87 N -0.94 3.76 -0.15 -1.27 1.01 -1.26 -1.99 120.40 119.56 2aff s VAL 87 Ca 0.50 -0.43 -0.19 0.00 0.00 0.00 0.00 61.98 61.86 2aff s VAL 87 Cb -0.40 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2aff s VAL 87 CO 0.51 0.54 0.54 -0.63 0.00 0.00 0.00 175.10 176.06 2aff s ILE 88 N -0.14 5.12 -0.15 2.22 -1.09 -0.03 -2.27 121.20 124.85 2aff s ILE 88 Ca 0.02 1.05 0.02 0.00 -2.23 0.00 0.00 60.65 59.51 2aff s ILE 88 Cb -0.13 -3.87 0.01 0.00 -1.58 0.00 0.00 42.46 36.89 2aff s ILE 88 CO 0.03 0.24 -0.21 -0.89 -1.23 0.00 0.00 174.94 172.88 2aff s THR 89 N 1.14 2.10 -0.14 2.92 2.01 0.95 0.49 115.64 125.12 2aff s THR 89 Ca 0.27 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.34 2aff s THR 89 Cb -0.16 -1.85 0.00 0.00 0.01 0.00 0.00 72.50 70.50 2aff s THR 89 CO 0.11 0.54 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.77 2aff s ILE 90 N 0.98 2.38 0.00 1.82 1.01 0.66 -0.03 121.20 128.01 2aff s ILE 90 Ca -0.03 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.74 2aff s ILE 90 Cb -0.15 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.35 2aff s ILE 90 CO -0.05 0.53 0.00 -0.38 0.00 0.00 0.00 174.94 175.04 2aff n ILE 91 N 3.97 0.00 -0.47 2.92 5.41 -1.26 0.28 119.36 130.21 2aff n ILE 91 Ca -0.19 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.60 2aff n ILE 91 Cb 0.52 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.52 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 1.81 2.20 -4.14 4.38 2.03 -1.26 -5.01 116.55 116.56 2aff n ASP 92 Ca 0.00 -2.48 -0.22 0.00 0.52 0.00 0.00 54.79 52.61 2aff n ASP 92 Cb 0.00 -0.20 -0.14 0.00 -0.72 0.00 0.00 41.12 40.06 2aff n ASP 92 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2aff s ARG 93 N -1.82 1.15 0.06 -0.67 6.06 0.80 -4.80 118.95 119.73 2aff s ARG 93 Ca 0.15 -0.65 0.04 0.00 -2.50 0.00 0.00 55.73 52.77 2aff s ARG 93 Cb 0.13 -1.15 -0.03 0.00 0.06 0.00 0.00 34.95 33.96 2aff s ARG 93 CO 0.02 0.30 -0.11 -1.12 -2.50 0.00 0.00 175.30 171.89 2aff s SER 94 N -0.68 1.25 -0.14 -2.12 0.01 -1.26 0.24 113.70 111.00 2aff s SER 94 Ca 0.05 -0.59 0.02 0.00 1.31 0.00 0.00 55.95 56.74 2aff s SER 94 Cb -0.07 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.17 2aff s SER 94 CO 0.00 -0.14 -0.19 -0.36 0.41 0.00 0.00 173.24 172.96 2aff s PHE 95 N -1.35 2.50 -0.09 2.43 0.40 0.18 -2.24 117.98 119.82 2aff s PHE 95 Ca -0.06 -1.32 -0.28 0.00 -0.60 0.00 0.00 56.93 54.66 2aff s PHE 95 Cb -0.10 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.67 2aff s PHE 95 CO 0.01 -0.64 0.94 1.03 0.70 0.00 0.00 175.22 177.26 2aff s ARG 96 N 1.05 4.44 -0.23 0.44 0.52 -0.48 -0.85 118.95 123.84 2aff s ARG 96 Ca -0.03 1.29 -0.15 0.00 -0.52 0.00 0.00 55.73 56.33 2aff s ARG 96 Cb -0.14 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 2aff s ARG 96 CO -0.06 -0.22 0.36 -0.47 0.02 0.00 0.00 175.30 174.93 2aff s TYR 97 N 1.68 3.32 -0.18 -0.53 5.04 -0.84 -1.41 117.35 124.43 2aff s TYR 97 Ca 0.47 0.49 0.00 0.00 -2.44 0.00 0.00 57.07 55.59 2aff s TYR 97 Cb -0.19 -2.50 0.04 0.00 0.35 0.00 0.00 41.96 39.66 2aff s TYR 97 CO 0.19 -0.07 -0.09 -2.00 -1.34 0.00 0.00 175.55 172.24 2aff s GLU 98 N 1.53 1.84 0.13 4.97 2.12 -0.10 -2.23 118.70 126.95 2aff s GLU 98 Ca 0.16 -0.66 -0.14 0.00 0.36 0.00 0.00 54.97 54.69 2aff s GLU 98 Cb -0.15 -2.19 -0.02 0.00 0.26 0.00 0.00 34.13 32.04 2aff s GLU 98 CO 0.08 -0.39 1.57 -0.91 -0.54 0.00 0.00 175.26 175.07 2aff h ASN 99 N 8.05 0.71 0.00 -1.70 2.35 -1.83 0.31 115.58 123.47 2aff h ASN 99 Ca -0.28 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 2aff h ASN 99 Cb 1.11 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.29 2aff h ASN 99 CO 0.45 0.84 0.00 -1.84 -1.65 0.00 0.00 177.43 175.24