#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 1.45 -3.02 0.52 -2.24 -1.26 -4.94 114.28 104.79 2aff n THR 4 Ca 0.00 0.10 -0.40 0.00 -2.27 0.00 0.00 64.05 61.48 2aff n THR 4 Cb 0.00 -2.19 -0.05 0.00 -2.10 0.00 0.00 70.33 65.99 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 -2.75 4.45 -0.01 -0.78 0.52 -1.26 -0.75 118.95 118.37 2aff s ARG 5 Ca -0.27 0.94 0.04 0.00 -0.52 0.00 0.00 55.73 55.93 2aff s ARG 5 Cb 0.05 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 32.08 2aff s ARG 5 CO 0.39 0.11 -0.14 1.03 0.02 0.00 0.00 175.30 176.71 2aff s ARG 6 N 0.61 1.18 -0.09 3.54 0.52 0.22 -1.74 118.95 123.19 2aff s ARG 6 Ca 0.38 -0.50 0.03 0.00 -0.52 0.00 0.00 55.73 55.12 2aff s ARG 6 Cb -0.18 -1.13 -0.01 0.00 0.52 0.00 0.00 34.95 34.14 2aff s ARG 6 CO 0.20 0.29 -0.18 -1.17 0.02 0.00 0.00 175.30 174.45 2aff s LEU 7 N -0.27 2.46 -0.13 2.53 2.96 -0.79 -0.91 118.68 124.52 2aff s LEU 7 Ca 0.04 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2aff s LEU 7 Cb -0.06 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 2aff s LEU 7 CO -0.00 0.22 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.46 2aff s VAL 8 N 0.00 3.33 0.31 1.68 1.01 -0.65 0.61 120.40 126.70 2aff s VAL 8 Ca -0.06 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.11 2aff s VAL 8 Cb -0.15 -2.41 -0.10 0.00 0.00 0.00 0.00 36.38 33.72 2aff s VAL 8 CO 0.05 0.52 0.91 -0.89 0.00 0.00 0.00 175.10 175.69 2aff s THR 9 N 0.23 4.28 -0.09 3.92 2.01 -0.85 -1.31 115.64 123.82 2aff s THR 9 Ca -0.07 1.73 0.00 0.00 0.31 0.00 0.00 61.69 63.67 2aff s THR 9 Cb -0.15 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 2aff s THR 9 CO 0.04 0.14 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.39 2aff s ILE 10 N -1.61 3.44 0.33 1.82 -1.09 -0.33 -2.13 121.20 121.63 2aff s ILE 10 Ca 0.49 -0.55 -0.02 0.00 -2.23 0.00 0.00 60.65 58.34 2aff s ILE 10 Cb -0.18 -2.42 -0.04 0.00 -1.58 0.00 0.00 42.46 38.24 2aff s ILE 10 CO 0.23 0.56 0.55 -0.54 -1.23 0.00 0.00 174.94 174.51 2aff s LYS 11 N -0.30 3.53 0.62 2.79 1.02 -0.74 -4.21 119.74 122.45 2aff s LYS 11 Ca 0.04 -0.20 0.33 0.00 0.02 0.00 0.00 55.97 56.16 2aff s LYS 11 Cb -0.13 -2.65 1.90 0.00 -0.52 0.00 0.00 37.83 36.43 2aff s LYS 11 CO 0.03 0.16 2.19 0.00 -0.92 0.00 0.00 175.35 176.81 2aff h ARG 12 N 1.10 0.00 0.00 1.68 3.08 -1.89 0.49 114.38 118.84 2aff h ARG 12 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 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 -0.01 -1.13 -1.07 0.00 0.00 179.97 178.40 2aff n SER 13 N -3.53 0.54 0.00 7.04 3.41 -1.26 -4.91 113.62 114.90 2aff n SER 13 Ca -0.01 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 2aff n SER 13 Cb 0.20 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 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 1.38 0.79 3.42 5.00 0.00 0.17 -5.08 105.19 110.86 2aff n GLY 14 Ca 0.06 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 2.80 0.31 1.61 -7.23 -1.25 -4.86 120.40 109.78 2aff s VAL 15 Ca 0.00 -0.81 -0.29 0.00 -1.81 0.00 0.00 61.98 59.07 2aff s VAL 15 Cb 0.00 -2.08 -0.10 0.00 0.56 0.00 0.00 36.38 34.76 2aff s VAL 15 CO 0.00 0.58 1.21 -1.81 -0.31 0.00 0.00 175.10 174.77 2aff s ASP 16 N -0.51 7.00 0.00 4.85 1.01 -1.26 -1.79 116.67 125.96 2aff s ASP 16 Ca 0.07 2.50 0.00 0.00 0.71 0.00 0.00 52.55 55.83 2aff s ASP 16 Cb -0.12 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.18 2aff s ASP 16 CO 0.01 -0.35 0.00 0.61 0.21 0.00 0.00 175.17 175.65 2aff n GLY 17 N 0.98 2.60 3.78 0.21 0.00 -0.91 -4.94 105.19 106.91 2aff n GLY 17 Ca -0.01 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 3.02 4.03 0.00 1.61 0.04 -1.26 -4.74 135.00 137.70 2aff s PRO 18 Ca 0.00 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2aff s PRO 18 Cb 0.00 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 2aff s PRO 18 CO 0.00 -0.28 0.07 -3.38 0.04 0.00 0.00 177.00 173.46 2aff s HIS 19 N -1.62 3.26 -0.32 0.56 -3.43 -1.26 -2.01 115.29 110.47 2aff s HIS 19 Ca 0.60 0.18 0.03 0.00 -0.80 0.00 0.00 55.06 55.07 2aff s HIS 19 Cb -0.24 -1.72 0.09 0.00 -1.43 0.00 0.00 32.58 29.27 2aff s HIS 19 CO 0.30 0.54 0.01 0.12 -2.00 0.00 0.00 174.74 173.71 2aff s PHE 20 N -1.20 3.59 0.07 0.38 5.36 0.20 -4.97 117.98 121.40 2aff s PHE 20 Ca 0.23 -2.72 -0.31 0.00 -0.96 0.00 0.00 56.93 53.17 2aff s PHE 20 Cb -0.12 -2.60 -0.06 0.00 -0.34 0.00 0.00 43.02 39.90 2aff s PHE 20 CO 0.14 -0.92 1.22 -1.25 -1.46 0.00 0.00 175.22 172.94 2aff s PRO 21 N 0.99 4.42 -1.10 10.12 0.04 -1.26 -1.89 135.00 146.32 2aff s PRO 21 Ca 0.04 1.80 -0.07 0.00 0.04 0.00 0.00 61.00 62.82 2aff s PRO 21 Cb -0.20 -3.34 -0.00 0.00 0.04 0.00 0.00 34.50 31.00 2aff s PRO 21 CO -0.07 -0.27 2.79 1.28 0.04 0.00 0.00 177.00 180.77 2aff n LEU 22 N 3.91 7.65 0.07 -3.56 4.77 -0.71 -4.54 117.00 124.58 2aff n LEU 22 Ca 0.09 -4.37 0.03 0.00 -0.03 0.00 0.00 56.01 51.72 2aff n LEU 22 Cb 0.46 -1.41 0.40 0.00 -2.33 0.00 0.00 43.42 40.54 2aff n LEU 22 CO 0.56 1.97 1.00 0.28 -1.33 0.00 0.00 177.39 179.86 2aff h SER 23 N 4.25 0.34 -3.87 -1.43 0.02 -1.92 -3.42 113.55 107.52 2aff h SER 23 Ca 0.64 -0.04 -0.49 0.00 -0.84 0.00 0.00 61.79 61.05 2aff h SER 23 Cb 0.52 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 62.99 2aff h SER 23 CO 1.31 0.38 0.44 -0.76 -1.14 0.00 0.00 176.83 177.06 2aff s LEU 24 N -9.08 4.38 0.28 5.07 1.43 -1.26 -4.93 118.68 114.58 2aff s LEU 24 Ca -0.07 2.16 0.24 0.00 -1.03 0.00 0.00 54.13 55.43 2aff s LEU 24 Cb 0.16 -3.86 1.04 0.00 0.03 0.00 0.00 46.19 43.56 2aff s LEU 24 CO 0.73 -0.28 1.72 -1.20 0.23 0.00 0.00 176.35 177.56 2aff n SER 25 N 0.67 0.70 -3.97 2.29 7.64 -1.26 -4.63 113.62 115.06 2aff n SER 25 Ca 0.01 0.69 -0.21 0.00 1.01 0.00 0.00 58.87 60.37 2aff n SER 25 Cb 0.47 -0.83 -0.16 0.00 -1.01 0.00 0.00 64.21 62.68 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 -3.37 0.78 -0.17 0.44 2.01 -1.26 -0.33 115.64 113.73 2aff s THR 26 Ca 0.03 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.73 2aff s THR 26 Cb 0.09 -0.73 0.03 0.00 0.01 0.00 0.00 72.50 71.90 2aff s THR 26 CO 0.37 0.27 -0.12 0.00 -0.69 0.00 0.00 174.62 174.45 2aff s LEU 28 N 1.45 2.57 -0.09 0.00 2.96 -1.26 0.03 118.68 124.33 2aff s LEU 28 Ca 0.02 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.48 2aff s LEU 28 Cb -0.15 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 2aff s LEU 28 CO -0.09 0.10 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.67 2aff s PHE 29 N 0.74 3.14 -4.47 5.38 0.40 0.19 -0.38 117.98 123.00 2aff s PHE 29 Ca -0.06 0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.42 2aff s PHE 29 Cb -0.15 -1.81 0.00 0.00 0.51 0.00 0.00 43.02 41.57 2aff s PHE 29 CO 0.01 0.42 0.00 0.41 0.70 0.00 0.00 175.22 176.76 2aff n GLY 30 N 2.29 -1.27 0.11 4.36 0.00 -0.91 -2.30 105.19 107.48 2aff n GLY 30 Ca -0.18 -1.17 -0.01 0.00 0.00 0.00 0.00 46.02 44.66 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 -6.77 1.61 3.08 -1.01 -2.55 114.38 108.73 2aff h ARG 31 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2aff h ARG 31 Cb 0.00 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.12 2aff h ARG 31 CO 0.00 0.58 0.87 0.20 -1.07 0.00 0.00 179.97 180.55 2aff s GLY 32 N -4.62 2.08 0.20 0.04 0.00 -1.14 -4.79 107.32 99.10 2aff s GLY 32 Ca 0.01 1.51 -0.10 0.00 0.00 0.00 0.00 44.72 46.15 2aff s GLY 32 CO 0.78 2.52 1.77 1.19 0.00 0.00 0.00 173.10 179.36 2aff h ILE 33 N 3.47 1.24 0.00 0.90 6.09 -1.93 -0.17 117.51 127.11 2aff h ILE 33 Ca -0.46 -0.72 0.00 0.00 -1.37 0.00 0.00 64.86 62.31 2aff h ILE 33 Cb 1.22 0.39 0.00 0.00 0.47 0.00 0.00 36.82 38.89 2aff h ILE 33 CO 0.80 0.29 0.33 -0.08 -3.07 0.00 0.00 178.15 176.42 2aff h GLU 34 N 1.01 0.00 -6.90 2.19 4.81 -1.98 -3.41 114.58 110.30 2aff h GLU 34 Ca 0.24 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.96 2aff h GLU 34 Cb 0.16 0.00 0.05 0.00 0.63 0.00 0.00 28.75 29.59 2aff h GLU 34 CO -0.03 0.00 0.53 0.00 -0.73 0.00 0.00 179.01 178.78 2aff h ASP 36 N 3.03 0.47 -3.29 0.00 3.32 -0.94 -3.39 116.42 115.61 2aff h ASP 36 Ca -0.48 -0.03 -0.51 0.00 0.02 0.00 0.00 57.03 56.03 2aff h ASP 36 Cb 1.23 -0.12 -0.35 0.00 0.22 0.00 0.00 39.33 40.30 2aff h ASP 36 CO 0.64 0.39 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.12 2aff s ILE 37 N -5.36 1.00 -0.08 0.35 1.01 -0.50 -4.96 121.20 112.65 2aff s ILE 37 Ca -0.08 -0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 2aff s ILE 37 Cb 0.17 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.63 2aff s ILE 37 CO 0.74 0.35 -0.05 -0.60 0.00 0.00 0.00 174.94 175.37 2aff s ARG 38 N 1.29 2.93 -0.11 2.79 3.52 -1.26 -2.14 118.95 125.97 2aff s ARG 38 Ca -0.03 -0.52 0.02 0.00 -0.13 0.00 0.00 55.73 55.07 2aff s ARG 38 Cb -0.14 -2.67 -0.01 0.00 -1.56 0.00 0.00 34.95 30.57 2aff s ARG 38 CO -0.03 0.61 -0.18 0.42 -0.81 0.00 0.00 175.30 175.31 2aff s ILE 39 N -0.65 2.63 0.00 4.11 1.01 -0.96 -4.97 121.20 122.37 2aff s ILE 39 Ca 0.10 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2aff s ILE 39 Cb -0.12 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.30 2aff s ILE 39 CO 0.02 0.55 0.80 0.00 0.00 0.00 0.00 174.94 176.30 2aff n GLN 40 N 3.36 0.74 -4.49 2.79 6.02 -1.26 -4.64 117.38 119.90 2aff n GLN 40 Ca -0.18 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.47 2aff n GLN 40 Cb 0.53 -1.13 -0.13 0.00 1.02 0.00 0.00 30.24 30.53 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 3.11 0.02 1.08 1.43 -1.26 -4.99 118.68 118.07 2aff s LEU 41 Ca 0.00 -0.18 0.17 0.00 -1.03 0.00 0.00 54.13 53.09 2aff s LEU 41 Cb 0.00 -1.74 0.73 0.00 0.03 0.00 0.00 46.19 45.21 2aff s LEU 41 CO 0.00 0.17 1.55 -0.81 0.23 0.00 0.00 176.35 177.49 2aff n PRO 42 N 3.54 0.02 0.00 1.29 -0.04 -1.26 -2.42 135.00 136.13 2aff n PRO 42 Ca -0.18 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 2aff n PRO 42 Cb 0.52 -1.53 0.23 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.56 0.00 -3.13 0.52 0.24 -1.26 -4.89 118.33 108.25 2aff n VAL 43 Ca 0.04 -0.32 -0.39 0.00 -2.04 0.00 0.00 64.34 61.63 2aff n VAL 43 Cb 0.20 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.52 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 -2.19 4.79 0.95 3.34 1.01 -1.02 -4.88 120.40 122.40 2aff s VAL 44 Ca 0.28 1.40 -0.11 0.00 0.00 0.00 0.00 61.98 63.55 2aff s VAL 44 Cb 0.20 -4.00 0.16 0.00 0.00 0.00 0.00 36.38 32.74 2aff s VAL 44 CO 0.41 0.43 1.11 -0.44 0.00 0.00 0.00 175.10 176.60 2aff s SER 45 N -0.34 2.74 0.14 3.32 0.01 -1.26 -4.47 113.70 113.85 2aff s SER 45 Ca 0.33 1.94 -0.16 0.00 1.31 0.00 0.00 55.95 59.38 2aff s SER 45 Cb -0.19 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2aff s SER 45 CO 0.20 -3.17 1.71 0.11 0.41 0.00 0.00 173.24 172.50 2aff h LYS 46 N -1.92 0.60 0.00 12.44 1.57 -1.92 -1.74 116.57 125.61 2aff h LYS 46 Ca -0.48 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 2aff h LYS 46 Cb 1.28 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2aff h LYS 46 CO 0.46 0.53 -0.58 1.04 -0.57 0.00 0.00 179.45 180.33 2aff n GLN 47 N -4.67 3.59 0.00 3.15 6.02 -1.26 -2.52 117.38 121.69 2aff n GLN 47 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2aff n GLN 47 Cb 0.12 -0.90 0.00 0.00 1.02 0.00 0.00 30.24 30.47 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 -1.31 0.00 -4.44 1.08 -0.00 -0.98 -3.78 115.22 105.78 2aff n HIS 48 Ca 0.01 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.97 2aff n HIS 48 Cb 0.12 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.84 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 0.23 1.97 -0.09 0.00 2.20 -0.67 0.56 119.74 123.94 2aff s LYS 50 Ca -0.04 -0.50 0.02 0.00 -0.36 0.00 0.00 55.97 55.09 2aff s LYS 50 Cb -0.09 -1.62 -0.02 0.00 -1.51 0.00 0.00 37.83 34.59 2aff s LYS 50 CO 0.01 0.02 -0.16 0.42 -0.36 0.00 0.00 175.35 175.28 2aff s ILE 51 N 0.71 2.87 -0.13 5.43 1.01 0.10 0.43 121.20 131.63 2aff s ILE 51 Ca -0.13 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 2aff s ILE 51 Cb -0.16 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 2aff s ILE 51 CO 0.03 0.56 -0.09 -1.61 0.00 0.00 0.00 174.94 173.83 2aff s GLU 52 N -0.13 3.39 -0.39 2.79 2.02 -0.43 -1.67 118.70 124.27 2aff s GLU 52 Ca -0.02 -0.61 -0.13 0.00 0.02 0.00 0.00 54.97 54.22 2aff s GLU 52 Cb -0.14 -2.72 0.02 0.00 0.10 0.00 0.00 34.13 31.40 2aff s GLU 52 CO 0.04 0.28 0.26 0.42 0.02 0.00 0.00 175.26 176.28 2aff s ILE 53 N 0.20 5.02 -0.09 -1.63 -1.09 0.55 -1.81 121.20 122.34 2aff s ILE 53 Ca -0.05 -0.70 0.01 0.00 -2.23 0.00 0.00 60.65 57.68 2aff s ILE 53 Cb -0.15 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 2aff s ILE 53 CO 0.04 -0.27 -0.13 -1.00 -1.23 0.00 0.00 174.94 172.36 2aff s HIS 54 N 1.64 2.78 0.52 3.97 3.76 0.15 -4.94 115.29 123.17 2aff s HIS 54 Ca 0.04 -0.35 0.43 0.00 -0.15 0.00 0.00 55.06 55.03 2aff s HIS 54 Cb -0.19 -1.74 1.63 0.00 1.11 0.00 0.00 32.58 33.39 2aff s HIS 54 CO 0.09 0.02 1.60 0.93 -0.85 0.00 0.00 174.74 176.54 2aff h GLU 55 N 5.97 0.02 0.13 1.40 5.08 -2.02 0.56 114.58 125.71 2aff h GLU 55 Ca -0.37 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2aff h GLU 55 Cb 1.18 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2aff h GLU 55 CO 0.53 0.01 -0.06 1.96 -1.00 0.00 0.00 179.01 180.45 2aff h GLN 56 N 0.02 -0.17 0.00 2.33 1.08 -2.01 -3.49 115.11 112.87 2aff h GLN 56 Ca 0.88 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 58.06 2aff h GLN 56 Cb 3.29 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 30.76 2aff h GLN 56 CO -0.15 -0.11 0.02 0.39 -0.95 0.00 0.00 178.83 178.02 2aff n GLU 57 N -2.60 0.18 -4.21 1.46 -0.58 0.19 -5.15 120.64 109.93 2aff n GLU 57 Ca -0.02 -0.47 -0.34 0.00 -0.42 0.00 0.00 57.16 55.91 2aff n GLU 57 Cb 0.07 0.52 -0.15 0.00 -0.57 0.00 0.00 31.44 31.31 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2aff s ALA 58 N -1.46 2.59 -0.10 0.62 0.00 -1.26 0.32 121.76 122.48 2aff s ALA 58 Ca 0.04 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.90 2aff s ALA 58 Cb -0.01 -1.40 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 2aff s ALA 58 CO 0.03 -0.23 -0.14 0.42 0.00 0.00 0.00 175.76 175.83 2aff s ILE 59 N 1.13 2.98 -0.19 0.00 1.01 -0.75 -0.49 121.20 124.89 2aff s ILE 59 Ca 0.01 -0.71 -0.13 0.00 0.00 0.00 0.00 60.65 59.82 2aff s ILE 59 Cb -0.14 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 2aff s ILE 59 CO -0.04 0.55 0.24 -0.22 0.00 0.00 0.00 174.94 175.47 2aff s LEU 60 N -0.04 4.20 -0.12 2.97 2.96 0.66 -1.32 118.68 127.99 2aff s LEU 60 Ca -0.03 0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 54.22 2aff s LEU 60 Cb -0.14 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 2aff s LEU 60 CO 0.04 0.08 -0.07 -1.00 -1.32 0.00 0.00 176.35 174.09 2aff s HIS 61 N 0.69 2.96 -0.50 5.38 3.76 0.17 -1.07 115.29 126.68 2aff s HIS 61 Ca 0.13 -0.24 -0.21 0.00 -0.15 0.00 0.00 55.06 54.59 2aff s HIS 61 Cb -0.13 -1.85 0.04 0.00 1.11 0.00 0.00 32.58 31.76 2aff s HIS 61 CO 0.03 0.07 0.74 1.21 -0.85 0.00 0.00 174.74 175.93 2aff s ASN 62 N -0.07 6.30 0.00 1.40 3.84 -1.26 -1.68 114.94 123.47 2aff s ASN 62 Ca 0.01 -0.55 0.22 0.00 0.21 0.00 0.00 52.86 52.74 2aff s ASN 62 Cb -0.13 -2.35 -0.10 0.00 -0.55 0.00 0.00 41.25 38.12 2aff s ASN 62 CO 0.03 -0.97 0.96 0.49 -2.79 0.00 0.00 177.10 174.82 2aff n PHE 63 N 6.62 0.02 -2.26 0.43 3.01 0.69 -4.84 117.46 121.13 2aff n PHE 63 Ca -0.02 0.01 -0.40 0.00 1.01 0.00 0.00 57.45 58.05 2aff n PHE 63 Cb 0.47 -0.11 -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 -1.54 1.01 0.00 0.00 176.76 176.23 2aff s SER 64 N -3.18 5.70 0.13 4.37 1.04 -0.23 -4.53 113.70 116.98 2aff s SER 64 Ca 0.07 0.07 0.25 0.00 0.48 0.00 0.00 55.95 56.81 2aff s SER 64 Cb 0.16 -2.54 0.50 0.00 0.10 0.00 0.00 66.02 64.24 2aff s SER 64 CO 0.84 -2.10 1.46 -1.54 0.98 0.00 0.00 173.24 172.88 2aff n SER 65 N 11.15 0.68 -0.06 7.02 3.41 -1.26 -3.61 113.62 130.94 2aff n SER 65 Ca 0.13 0.21 -0.22 0.00 -0.26 0.00 0.00 58.87 58.74 2aff n SER 65 Cb 0.51 -0.09 -0.13 0.00 -0.26 0.00 0.00 64.21 64.24 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 -2.07 1.64 -3.61 6.66 -1.04 -1.26 -4.84 114.28 109.76 2aff n THR 66 Ca 0.04 -0.49 -0.29 0.00 -2.04 0.00 0.00 64.05 61.27 2aff n THR 66 Cb 0.42 -1.73 -0.15 0.00 -1.82 0.00 0.00 70.33 67.06 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 -6.93 3.69 0.44 8.00 0.01 -1.26 -5.13 114.94 113.75 2aff s ASN 67 Ca -0.29 -1.49 -0.24 0.00 -0.71 0.00 0.00 52.86 50.14 2aff s ASN 67 Cb 0.08 -0.55 -0.10 0.00 0.41 0.00 0.00 41.25 41.09 2aff s ASN 67 CO 0.66 -0.42 1.10 -2.65 -1.51 0.00 0.00 177.10 174.28 2aff n PRO 68 N 5.01 1.51 -2.62 -0.60 -0.02 -1.24 -4.67 135.00 132.38 2aff n PRO 68 Ca -0.03 0.54 -0.39 0.00 -2.02 0.00 0.00 63.50 61.60 2aff n PRO 68 Cb 0.42 -2.17 -0.05 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.27 3.82 -0.09 3.45 2.01 -1.26 -4.83 115.64 117.46 2aff s THR 69 Ca 0.64 1.72 -0.02 0.00 0.31 0.00 0.00 61.69 64.33 2aff s THR 69 Cb -0.53 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 67.90 2aff s THR 69 CO 0.56 0.32 -0.01 -1.10 -0.69 0.00 0.00 174.62 173.71 2aff s GLN 70 N -1.60 3.05 -0.03 4.92 -0.21 -0.86 -1.22 119.66 123.71 2aff s GLN 70 Ca 0.46 -0.43 0.03 0.00 0.02 0.00 0.00 55.36 55.44 2aff s GLN 70 Cb -0.27 -2.80 0.00 0.00 1.00 0.00 0.00 33.01 30.95 2aff s GLN 70 CO 0.34 0.65 -0.10 0.08 -2.12 0.00 0.00 175.29 174.13 2aff s VAL 71 N -0.73 0.87 -1.31 1.09 1.01 0.11 0.26 120.40 121.69 2aff s VAL 71 Ca 0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 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 0.02 0.27 0.24 0.59 0.00 0.00 0.00 175.10 176.22 2aff n ASN 72 N 3.35 -4.57 -0.93 3.32 3.02 -0.68 -0.84 115.26 117.92 2aff n ASN 72 Ca -0.19 -0.07 -0.08 0.00 -0.03 0.00 0.00 54.58 54.21 2aff n ASN 72 Cb 0.54 -3.80 -0.01 0.00 -0.61 0.00 0.00 39.78 35.90 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 0.07 3.11 7.41 0.00 -1.26 -5.03 105.19 108.41 2aff n GLY 73 Ca -0.12 -0.55 -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 -0.56 0.00 0.00 0.00 173.32 172.76 2aff s SER 74 N -2.64 -0.25 0.41 1.61 0.01 -0.02 -5.11 113.70 107.72 2aff s SER 74 Ca 0.00 0.48 -0.25 0.00 1.31 0.00 0.00 55.95 57.49 2aff s SER 74 Cb 0.00 0.47 -0.08 0.00 0.21 0.00 0.00 66.02 66.61 2aff s SER 74 CO 0.00 -0.10 1.19 0.54 0.41 0.00 0.00 173.24 175.29 2aff s VAL 75 N 0.33 3.04 -0.44 3.43 0.11 -1.26 0.04 120.40 125.65 2aff s VAL 75 Ca -0.02 0.86 0.03 0.00 -2.93 0.00 0.00 61.98 59.93 2aff s VAL 75 Cb -0.03 -3.48 0.12 0.00 -1.53 0.00 0.00 36.38 31.46 2aff s VAL 75 CO -0.01 0.07 0.17 0.27 -3.33 0.00 0.00 175.10 172.27 2aff s ILE 76 N -1.41 2.56 0.15 7.04 -4.36 -0.36 -4.89 121.20 119.94 2aff s ILE 76 Ca 0.58 -2.79 0.24 0.00 -0.26 0.00 0.00 60.65 58.42 2aff s ILE 76 Cb -0.32 -2.82 0.23 0.00 1.25 0.00 0.00 42.46 40.81 2aff s ILE 76 CO 0.40 -0.71 1.84 -2.24 0.24 0.00 0.00 174.94 174.47 2aff h ASP 77 N 7.11 0.00 -1.99 4.36 2.03 -1.95 -3.42 116.42 122.57 2aff h ASP 77 Ca -0.06 0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 55.63 2aff h ASP 77 Cb 0.96 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.33 2aff h ASP 77 CO 0.62 0.22 -0.68 -1.61 -1.03 0.00 0.00 179.24 176.76 2aff s GLU 78 N -3.68 1.87 0.63 4.15 2.02 -1.26 -4.89 118.70 117.53 2aff s GLU 78 Ca 0.00 -1.85 -0.18 0.00 0.02 0.00 0.00 54.97 52.96 2aff s GLU 78 Cb 0.10 -1.78 -0.02 0.00 0.10 0.00 0.00 34.13 32.54 2aff s GLU 78 CO 0.63 0.18 1.26 -1.25 0.02 0.00 0.00 175.26 176.10 2aff s PRO 79 N -3.62 2.71 0.00 0.39 0.04 -1.26 -4.70 135.00 128.55 2aff s PRO 79 Ca 0.33 1.97 -0.01 0.00 0.04 0.00 0.00 61.00 63.33 2aff s PRO 79 Cb 0.00 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 2aff s PRO 79 CO 0.17 -1.45 0.01 0.54 0.04 0.00 0.00 177.00 176.30 2aff s VAL 80 N -1.48 0.04 0.00 -0.36 0.11 -0.23 -4.98 120.40 113.51 2aff s VAL 80 Ca 0.81 -0.34 -0.30 0.00 -2.93 0.00 0.00 61.98 59.21 2aff s VAL 80 Cb -0.35 -0.13 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 2aff s VAL 80 CO 0.37 -0.19 1.27 -0.60 -3.33 0.00 0.00 175.10 172.62 2aff s ARG 81 N -0.56 4.35 0.03 1.54 3.52 -1.26 -0.25 118.95 126.33 2aff s ARG 81 Ca -0.06 1.81 -0.28 0.00 -0.13 0.00 0.00 55.73 57.07 2aff s ARG 81 Cb -0.04 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 2aff s ARG 81 CO -0.00 -0.43 0.88 -0.51 -0.81 0.00 0.00 175.30 174.43 2aff s LEU 82 N 1.89 4.42 0.10 -0.88 1.43 0.36 -4.91 118.68 121.08 2aff s LEU 82 Ca 0.59 1.58 0.09 0.00 -1.03 0.00 0.00 54.13 55.36 2aff s LEU 82 Cb -0.29 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 2aff s LEU 82 CO 0.26 -0.12 -0.23 -0.54 0.23 0.00 0.00 176.35 175.95 2aff s LYS 83 N 0.43 1.25 -0.13 1.70 1.02 -1.26 -4.59 119.74 118.15 2aff s LYS 83 Ca 0.45 -1.18 -0.36 0.00 0.02 0.00 0.00 55.97 54.90 2aff s LYS 83 Cb -0.21 -1.55 -0.13 0.00 -0.52 0.00 0.00 37.83 35.41 2aff s LYS 83 CO 0.26 0.37 1.80 1.58 -0.92 0.00 0.00 175.35 178.44 2aff n HIS 84 N 1.15 2.21 0.00 3.18 -0.00 -1.26 -0.58 115.22 119.92 2aff n HIS 84 Ca -0.19 0.22 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2aff n HIS 84 Cb 0.53 -2.58 0.00 0.00 -0.00 0.00 0.00 29.99 27.95 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 4.22 1.43 3.76 1.57 0.00 -0.70 -4.97 105.19 110.50 2aff n GLY 85 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.74 7.05 -0.11 1.61 1.01 0.25 -4.79 116.67 119.95 2aff s ASP 86 Ca 0.00 2.43 0.03 0.00 0.71 0.00 0.00 52.55 55.71 2aff s ASP 86 Cb 0.00 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 2aff s ASP 86 CO 0.00 -0.33 -0.20 -0.69 0.21 0.00 0.00 175.17 174.16 2aff s VAL 87 N -0.98 2.41 -0.12 -1.27 1.01 -1.26 -0.69 120.40 119.50 2aff s VAL 87 Ca 0.48 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 2aff s VAL 87 Cb -0.35 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 2aff s VAL 87 CO 0.45 0.55 0.38 -0.63 0.00 0.00 0.00 175.10 175.85 2aff s ILE 88 N 0.32 5.22 -0.14 2.22 1.01 -0.02 -1.69 121.20 128.11 2aff s ILE 88 Ca -0.16 0.76 0.01 0.00 0.00 0.00 0.00 60.65 61.25 2aff s ILE 88 Cb -0.17 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 2aff s ILE 88 CO 0.08 0.40 -0.15 -0.89 0.00 0.00 0.00 174.94 174.37 2aff s THR 89 N 0.24 2.74 -0.11 2.92 2.01 0.72 0.53 115.64 124.69 2aff s THR 89 Ca 0.22 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.47 2aff s THR 89 Cb -0.14 -2.14 0.02 0.00 0.01 0.00 0.00 72.50 70.24 2aff s THR 89 CO 0.08 0.52 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.76 2aff s ILE 90 N 0.59 1.43 0.00 1.82 1.01 0.85 -2.03 121.20 124.88 2aff s ILE 90 Ca -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2aff s ILE 90 Cb -0.16 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 40.99 2aff s ILE 90 CO 0.03 0.43 0.00 -0.38 0.00 0.00 0.00 174.94 175.02 2aff n ILE 91 N 4.29 0.00 0.00 2.92 5.41 -1.26 0.36 119.36 131.08 2aff n ILE 91 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2aff n ILE 91 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 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 0.00 0.00 -4.12 4.38 -0.08 -1.26 -5.00 116.55 110.47 2aff n ASP 92 Ca 0.00 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.09 2aff n ASP 92 Cb 0.00 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2aff s ARG 93 N -0.34 0.84 0.06 -0.67 0.52 1.14 -4.29 118.95 116.21 2aff s ARG 93 Ca 0.00 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.50 2aff s ARG 93 Cb 0.00 -0.82 -0.03 0.00 0.52 0.00 0.00 34.95 34.62 2aff s ARG 93 CO 0.00 0.20 -0.05 -1.54 0.02 0.00 0.00 175.30 173.93 2aff s SER 94 N -1.11 0.70 -0.10 0.23 1.04 -1.26 0.29 113.70 113.49 2aff s SER 94 Ca 0.00 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2aff s SER 94 Cb -0.08 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.18 2aff s SER 94 CO 0.01 -0.43 -0.08 -0.36 0.98 0.00 0.00 173.24 173.37 2aff s PHE 95 N -2.86 1.38 -0.07 5.02 0.40 0.19 -1.18 117.98 120.85 2aff s PHE 95 Ca 0.01 -0.64 -0.25 0.00 -0.60 0.00 0.00 56.93 55.45 2aff s PHE 95 Cb 0.00 -1.15 -0.03 0.00 0.51 0.00 0.00 43.02 42.36 2aff s PHE 95 CO -0.05 -0.45 0.79 0.50 0.70 0.00 0.00 175.22 176.72 2aff s ARG 96 N 1.52 4.43 -0.18 0.44 3.52 -0.42 -0.84 118.95 127.41 2aff s ARG 96 Ca 0.01 1.03 -0.18 0.00 -0.13 0.00 0.00 55.73 56.46 2aff s ARG 96 Cb -0.13 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 2aff s ARG 96 CO -0.06 -0.05 0.50 -0.47 -0.81 0.00 0.00 175.30 174.42 2aff s TYR 97 N 1.14 3.40 -0.13 5.12 5.04 0.14 -1.63 117.35 130.42 2aff s TYR 97 Ca 0.41 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.83 2aff s TYR 97 Cb -0.18 -2.64 0.02 0.00 0.35 0.00 0.00 41.96 39.51 2aff s TYR 97 CO 0.19 -0.05 -0.12 -1.21 -1.34 0.00 0.00 175.55 173.03 2aff s GLU 98 N 1.43 2.00 -0.46 4.97 2.02 -0.09 -1.71 118.70 126.86 2aff s GLU 98 Ca 0.24 -0.45 -0.16 0.00 0.02 0.00 0.00 54.97 54.62 2aff s GLU 98 Cb -0.15 -1.87 0.05 0.00 0.10 0.00 0.00 34.13 32.26 2aff s GLU 98 CO 0.10 -0.21 0.42 1.21 0.02 0.00 0.00 175.26 176.80 2aff s ASN 99 N 1.45 6.16 0.00 -0.19 3.84 -1.26 -0.61 114.94 124.34 2aff s ASN 99 Ca 0.02 -1.05 0.00 0.00 0.21 0.00 0.00 52.86 52.05 2aff s ASN 99 Cb -0.13 -2.20 0.00 0.00 -0.55 0.00 0.00 41.25 38.37 2aff s ASN 99 CO -0.08 -0.63 0.00 -0.62 -2.79 0.00 0.00 177.10 172.98