#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 0.82 -3.20 0.52 -2.24 -1.26 -4.91 114.28 104.01 2aff n THR 4 Ca 0.00 -0.41 -0.40 0.00 -2.27 0.00 0.00 64.05 60.96 2aff n THR 4 Cb 0.00 -0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 67.31 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 -2.29 3.97 -0.07 -0.78 0.52 -1.26 -0.34 118.95 118.70 2aff s ARG 5 Ca -0.13 0.26 0.02 0.00 -0.52 0.00 0.00 55.73 55.36 2aff s ARG 5 Cb 0.04 -3.69 0.01 0.00 0.52 0.00 0.00 34.95 31.83 2aff s ARG 5 CO 0.41 -0.44 -0.13 0.50 0.02 0.00 0.00 175.30 175.66 2aff s ARG 6 N 2.40 1.77 -0.13 3.54 3.52 -0.25 -2.02 118.95 127.77 2aff s ARG 6 Ca 0.22 -0.43 -0.01 0.00 -0.13 0.00 0.00 55.73 55.37 2aff s ARG 6 Cb -0.15 -1.46 -0.02 0.00 -1.56 0.00 0.00 34.95 31.76 2aff s ARG 6 CO 0.10 0.03 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.34 2aff s LEU 7 N 0.67 2.84 -0.12 -0.88 2.96 -0.81 -1.04 118.68 122.30 2aff s LEU 7 Ca -0.14 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 53.46 2aff s LEU 7 Cb -0.16 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 2aff s LEU 7 CO 0.04 0.17 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.51 2aff s VAL 8 N 0.34 3.91 -0.25 1.68 1.01 -0.73 0.11 120.40 126.47 2aff s VAL 8 Ca -0.09 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 2aff s VAL 8 Cb -0.15 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 2aff s VAL 8 CO 0.05 0.54 0.53 -0.89 0.00 0.00 0.00 175.10 175.33 2aff s THR 9 N -0.16 5.07 0.17 3.92 2.01 -0.82 -1.99 115.64 123.83 2aff s THR 9 Ca 0.03 0.92 -0.28 0.00 0.31 0.00 0.00 61.69 62.68 2aff s THR 9 Cb -0.13 -3.84 -0.08 0.00 0.01 0.00 0.00 72.50 68.46 2aff s THR 9 CO 0.02 0.10 0.86 -0.63 -0.69 0.00 0.00 174.62 174.28 2aff s ILE 10 N 2.18 4.32 0.39 1.82 -1.09 -0.97 -2.44 121.20 125.41 2aff s ILE 10 Ca 0.22 1.88 -0.02 0.00 -2.23 0.00 0.00 60.65 60.51 2aff s ILE 10 Cb -0.16 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.46 2aff s ILE 10 CO 0.09 0.47 0.64 -0.54 -1.23 0.00 0.00 174.94 174.37 2aff s LYS 11 N -0.89 3.52 0.45 2.79 1.02 -0.68 -4.65 119.74 121.31 2aff s LYS 11 Ca 0.39 -0.11 0.18 0.00 0.02 0.00 0.00 55.97 56.45 2aff s LYS 11 Cb -0.24 -2.55 1.14 0.00 -0.52 0.00 0.00 37.83 35.65 2aff s LYS 11 CO 0.28 0.02 1.95 0.00 -0.92 0.00 0.00 175.35 176.68 2aff h ARG 12 N 0.62 0.30 0.00 1.68 3.08 -1.91 0.29 114.38 118.44 2aff h ARG 12 Ca -0.49 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2aff h ARG 12 Cb 1.21 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2aff h ARG 12 CO 0.62 0.20 0.00 -1.13 -1.07 0.00 0.00 179.97 178.59 2aff n SER 13 N -4.45 0.46 0.00 7.04 3.41 -1.26 -4.91 113.62 113.92 2aff n SER 13 Ca 0.13 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 2aff n SER 13 Cb 0.53 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 1.17 0.96 3.61 5.00 0.00 0.10 -5.09 105.19 110.94 2aff n GLY 14 Ca 0.06 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 3.84 0.27 1.61 -7.23 -1.26 -4.83 120.40 110.80 2aff s VAL 15 Ca 0.00 -0.52 -0.29 0.00 -1.81 0.00 0.00 61.98 59.35 2aff s VAL 15 Cb 0.00 -2.61 -0.09 0.00 0.56 0.00 0.00 36.38 34.23 2aff s VAL 15 CO 0.00 0.53 1.13 -1.81 -0.31 0.00 0.00 175.10 174.64 2aff s ASP 16 N -1.04 7.21 0.00 4.85 1.01 -1.26 -1.68 116.67 125.75 2aff s ASP 16 Ca 0.14 2.29 0.00 0.00 0.71 0.00 0.00 52.55 55.70 2aff s ASP 16 Cb -0.11 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.19 2aff s ASP 16 CO 0.04 -0.20 0.00 0.61 0.21 0.00 0.00 175.17 175.83 2aff n GLY 17 N 1.31 2.80 3.77 0.21 0.00 -1.02 -4.95 105.19 107.30 2aff n GLY 17 Ca -0.00 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 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 2.73 4.18 0.21 1.61 0.04 -1.26 -4.77 135.00 137.74 2aff s PRO 18 Ca 0.00 1.84 0.07 0.00 0.04 0.00 0.00 61.00 62.94 2aff s PRO 18 Cb 0.00 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 2aff s PRO 18 CO 0.00 -0.21 0.14 -3.38 0.04 0.00 0.00 177.00 173.59 2aff s HIS 19 N -1.37 3.07 -0.29 0.56 -3.43 -1.26 -1.95 115.29 110.61 2aff s HIS 19 Ca 0.54 -0.09 -0.01 0.00 -0.80 0.00 0.00 55.06 54.71 2aff s HIS 19 Cb -0.31 -1.42 0.09 0.00 -1.43 0.00 0.00 32.58 29.51 2aff s HIS 19 CO 0.39 0.53 0.08 0.12 -2.00 0.00 0.00 174.74 173.86 2aff s PHE 20 N -1.97 1.72 0.12 0.38 5.36 0.30 -4.96 117.98 118.94 2aff s PHE 20 Ca 0.31 -1.65 -0.30 0.00 -0.96 0.00 0.00 56.93 54.33 2aff s PHE 20 Cb -0.09 -1.64 -0.07 0.00 -0.34 0.00 0.00 43.02 40.89 2aff s PHE 20 CO 0.23 -0.83 1.18 -1.25 -1.46 0.00 0.00 175.22 173.08 2aff s PRO 21 N 1.62 4.49 -0.89 10.12 0.04 -1.26 -1.92 135.00 147.19 2aff s PRO 21 Ca 0.07 1.79 -0.07 0.00 0.04 0.00 0.00 61.00 62.83 2aff s PRO 21 Cb -0.17 -3.30 -0.09 0.00 0.04 0.00 0.00 34.50 30.98 2aff s PRO 21 CO -0.21 -0.13 3.05 1.28 0.04 0.00 0.00 177.00 181.02 2aff n LEU 22 N 3.18 7.21 0.23 -3.56 4.77 -0.86 -4.46 117.00 123.50 2aff n LEU 22 Ca 0.06 -4.04 0.10 0.00 -0.03 0.00 0.00 56.01 52.10 2aff n LEU 22 Cb 0.46 -1.43 0.55 0.00 -2.33 0.00 0.00 43.42 40.67 2aff n LEU 22 CO 0.55 1.91 0.85 0.77 -1.33 0.00 0.00 177.39 180.14 2aff h SER 23 N 4.01 0.00 -3.70 -1.43 4.64 -1.91 -3.42 113.55 111.73 2aff h SER 23 Ca 0.56 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.38 2aff h SER 23 Cb 0.74 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 2aff h SER 23 CO 1.11 0.22 0.32 -0.76 -0.87 0.00 0.00 176.83 176.85 2aff s LEU 24 N -7.22 4.63 0.57 5.97 1.43 -1.26 -4.93 118.68 117.86 2aff s LEU 24 Ca -0.01 1.89 0.37 0.00 -1.03 0.00 0.00 54.13 55.35 2aff s LEU 24 Cb 0.12 -3.56 1.78 0.00 0.03 0.00 0.00 46.19 44.56 2aff s LEU 24 CO 0.63 0.15 2.11 0.77 0.23 0.00 0.00 176.35 180.25 2aff h SER 25 N 4.27 0.00 -3.54 2.29 4.64 -1.91 -3.42 113.55 115.88 2aff h SER 25 Ca -0.45 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.42 2aff h SER 25 Cb 1.20 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.96 2aff h SER 25 CO 0.68 0.00 -0.79 -0.89 -0.87 0.00 0.00 176.83 174.96 2aff s THR 26 N -3.84 0.80 -0.17 2.95 2.01 -1.26 -0.64 115.64 115.49 2aff s THR 26 Ca -0.01 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.69 2aff s THR 26 Cb 0.10 -0.75 0.03 0.00 0.01 0.00 0.00 72.50 71.89 2aff s THR 26 CO 0.46 0.27 -0.11 0.00 -0.69 0.00 0.00 174.62 174.55 2aff s LEU 28 N 1.47 2.72 -0.08 0.00 2.96 -1.26 0.06 118.68 124.56 2aff s LEU 28 Ca 0.02 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 53.53 2aff s LEU 28 Cb -0.15 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2aff s LEU 28 CO -0.09 0.09 0.05 -0.36 -1.32 0.00 0.00 176.35 174.72 2aff s PHE 29 N 0.77 3.29 -5.00 5.38 0.40 0.25 0.53 117.98 123.61 2aff s PHE 29 Ca -0.04 0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.57 2aff s PHE 29 Cb -0.15 -1.82 0.00 0.00 0.51 0.00 0.00 43.02 41.56 2aff s PHE 29 CO 0.01 0.55 0.00 0.41 0.70 0.00 0.00 175.22 176.90 2aff n GLY 30 N 1.91 -1.03 0.11 4.36 0.00 -0.93 -2.25 105.19 107.35 2aff n GLY 30 Ca -0.18 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 2aff n GLY 30 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aff h ARG 31 N 2.38 0.16 -6.31 1.61 3.08 -1.19 -2.93 114.38 111.19 2aff h ARG 31 Ca 0.00 -0.21 -0.61 0.00 0.07 0.00 0.00 59.98 59.23 2aff h ARG 31 Cb 0.00 0.07 0.14 0.00 0.08 0.00 0.00 29.97 30.26 2aff h ARG 31 CO 0.00 1.00 -0.37 0.41 -1.07 0.00 0.00 179.97 179.94 2aff n GLY 32 N 1.06 -1.41 0.27 0.04 0.00 -0.96 -4.87 105.19 99.32 2aff n GLY 32 Ca -0.04 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 0.93 1.26 0.00 -0.61 6.09 -1.91 -2.10 117.51 121.18 2aff h ILE 33 Ca -0.39 -1.07 0.00 0.00 -1.37 0.00 0.00 64.86 62.02 2aff h ILE 33 Cb 1.40 0.88 0.00 0.00 0.47 0.00 0.00 36.82 39.57 2aff h ILE 33 CO 0.53 0.38 0.09 -0.33 -3.07 0.00 0.00 178.15 175.75 2aff h GLU 34 N 0.82 0.00 -6.41 2.19 4.39 -1.96 -3.42 114.58 110.18 2aff h GLU 34 Ca 0.16 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.28 2aff h GLU 34 Cb 0.50 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.19 2aff h GLU 34 CO 0.02 0.00 1.03 0.00 -1.16 0.00 0.00 179.01 178.90 2aff h ASP 36 N 8.19 0.36 -3.16 0.00 3.32 -0.18 -3.37 116.42 121.59 2aff h ASP 36 Ca -0.47 -0.01 -0.56 0.00 0.02 0.00 0.00 57.03 56.01 2aff h ASP 36 Cb 1.25 -0.09 -0.36 0.00 0.22 0.00 0.00 39.33 40.34 2aff h ASP 36 CO 0.93 0.27 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.28 2aff s ILE 37 N -5.37 1.24 -0.13 0.35 1.01 -0.46 -4.94 121.20 112.90 2aff s ILE 37 Ca -0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 2aff s ILE 37 Cb 0.17 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 2aff s ILE 37 CO 0.72 0.40 0.02 -0.60 0.00 0.00 0.00 174.94 175.48 2aff s ARG 38 N 1.59 3.41 -0.11 2.79 3.52 -1.26 -2.19 118.95 126.70 2aff s ARG 38 Ca 0.04 -0.39 0.02 0.00 -0.13 0.00 0.00 55.73 55.28 2aff s ARG 38 Cb -0.13 -2.96 -0.01 0.00 -1.56 0.00 0.00 34.95 30.30 2aff s ARG 38 CO -0.09 0.51 -0.19 0.42 -0.81 0.00 0.00 175.30 175.15 2aff s ILE 39 N -0.34 2.51 -0.03 4.11 1.01 -1.10 -4.95 121.20 122.41 2aff s ILE 39 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2aff s ILE 39 Cb -0.12 -2.01 0.04 0.00 0.01 0.00 0.00 42.46 40.38 2aff s ILE 39 CO 0.02 0.54 1.11 0.00 0.00 0.00 0.00 174.94 176.61 2aff n GLN 40 N 3.51 1.07 -3.11 2.79 6.02 -1.26 -4.51 117.38 121.88 2aff n GLN 40 Ca -0.19 -0.16 -0.42 0.00 -0.01 0.00 0.00 57.00 56.22 2aff n GLN 40 Cb 0.53 -1.06 -0.07 0.00 1.02 0.00 0.00 30.24 30.66 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 -0.18 4.35 0.28 1.08 1.43 -1.26 -4.93 118.68 119.45 2aff s LEU 41 Ca 0.03 -0.06 0.17 0.00 -1.03 0.00 0.00 54.13 53.24 2aff s LEU 41 Cb 0.03 -2.76 0.90 0.00 0.03 0.00 0.00 46.19 44.39 2aff s LEU 41 CO 0.01 -0.67 1.47 -2.65 0.23 0.00 0.00 176.35 174.74 2aff n PRO 42 N 6.13 0.11 -0.36 1.29 -0.02 -1.26 -0.85 135.00 140.03 2aff n PRO 42 Ca -0.01 0.59 0.09 0.00 -2.02 0.00 0.00 63.50 62.15 2aff n PRO 42 Cb 0.48 -1.95 0.28 0.00 -0.02 0.00 0.00 33.50 32.29 2aff n PRO 42 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2aff n VAL 43 N -2.10 1.19 -3.78 -1.45 0.24 -1.26 -4.95 118.33 106.22 2aff n VAL 43 Ca -0.01 -1.07 -0.37 0.00 -2.04 0.00 0.00 64.34 60.85 2aff n VAL 43 Cb 0.12 0.41 -0.06 0.00 -1.47 0.00 0.00 33.84 32.84 2aff n VAL 43 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2aff s VAL 44 N -1.21 5.40 0.98 3.34 0.11 -0.03 -4.87 120.40 124.12 2aff s VAL 44 Ca 0.42 0.34 -0.12 0.00 -2.93 0.00 0.00 61.98 59.69 2aff s VAL 44 Cb 0.23 -3.48 0.18 0.00 -1.53 0.00 0.00 36.38 31.78 2aff s VAL 44 CO 0.26 0.58 1.09 -0.44 -3.33 0.00 0.00 175.10 173.26 2aff s SER 45 N -0.81 2.75 0.16 3.54 0.01 -1.26 -4.58 113.70 113.50 2aff s SER 45 Ca 0.16 1.33 -0.14 0.00 1.31 0.00 0.00 55.95 58.61 2aff s SER 45 Cb -0.13 -2.00 0.04 0.00 0.21 0.00 0.00 66.02 64.14 2aff s SER 45 CO 0.05 -3.07 1.72 0.11 0.41 0.00 0.00 173.24 172.45 2aff h LYS 46 N -1.85 0.75 0.00 12.44 1.57 -1.93 -2.29 116.57 125.26 2aff h LYS 46 Ca -0.53 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 2aff h LYS 46 Cb 1.31 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2aff h LYS 46 CO 0.56 0.66 -0.92 1.04 -0.57 0.00 0.00 179.45 180.22 2aff n GLN 47 N -4.56 2.19 0.00 3.15 3.00 -1.26 -2.27 117.38 117.63 2aff n GLN 47 Ca 0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2aff n GLN 47 Cb 0.15 -1.09 0.00 0.00 0.00 0.00 0.00 30.24 29.30 2aff n GLN 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2aff n HIS 48 N -1.51 0.00 -4.29 1.08 -0.00 -1.03 -3.88 115.22 105.58 2aff n HIS 48 Ca 0.00 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.00 2aff n HIS 48 Cb 0.20 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.92 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 0.04 2.15 -0.13 0.00 2.20 -0.68 0.86 119.74 124.18 2aff s LYS 50 Ca -0.00 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 2aff s LYS 50 Cb -0.06 -1.74 -0.02 0.00 -1.51 0.00 0.00 37.83 34.51 2aff s LYS 50 CO -0.00 0.15 -0.13 0.42 -0.36 0.00 0.00 175.35 175.43 2aff s ILE 51 N 0.35 3.05 -0.18 5.43 1.01 0.11 -0.24 121.20 130.72 2aff s ILE 51 Ca -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.86 2aff s ILE 51 Cb -0.15 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.06 2aff s ILE 51 CO 0.05 0.53 -0.17 -1.61 0.00 0.00 0.00 174.94 173.74 2aff s GLU 52 N 0.29 3.10 -0.31 2.79 2.02 -0.90 -1.63 118.70 124.05 2aff s GLU 52 Ca -0.10 -0.78 -0.10 0.00 0.02 0.00 0.00 54.97 54.01 2aff s GLU 52 Cb -0.16 -2.64 -0.01 0.00 0.10 0.00 0.00 34.13 31.42 2aff s GLU 52 CO 0.05 -0.15 0.16 0.42 0.02 0.00 0.00 175.26 175.76 2aff s ILE 53 N 1.20 4.68 0.04 -1.63 1.01 0.19 -2.04 121.20 124.66 2aff s ILE 53 Ca 0.02 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.36 2aff s ILE 53 Cb -0.14 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2aff s ILE 53 CO -0.08 0.08 -0.08 -1.00 0.00 0.00 0.00 174.94 173.86 2aff s HIS 54 N 1.63 2.82 0.55 3.97 3.76 0.36 -4.90 115.29 123.48 2aff s HIS 54 Ca 0.05 -0.09 0.49 0.00 -0.15 0.00 0.00 55.06 55.36 2aff s HIS 54 Cb -0.17 -1.54 1.72 0.00 1.11 0.00 0.00 32.58 33.69 2aff s HIS 54 CO 0.07 0.38 1.56 0.39 -0.85 0.00 0.00 174.74 176.28 2aff n GLU 55 N 1.28 -0.00 0.05 1.40 1.02 -1.26 -0.11 120.64 123.02 2aff n GLU 55 Ca -0.15 1.09 -0.02 0.00 -0.02 0.00 0.00 57.16 58.07 2aff n GLU 55 Cb 0.52 -2.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.44 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2aff h GLN 56 N 0.00 -0.13 0.00 3.49 4.20 -2.01 -3.49 115.11 117.17 2aff h GLN 56 Ca 0.94 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.66 2aff h GLN 56 Cb 3.72 0.03 0.00 0.00 0.30 0.00 0.00 27.48 31.53 2aff h GLN 56 CO -0.04 -0.09 0.00 -1.91 -0.67 0.00 0.00 178.83 176.12 2aff n GLU 57 N -2.44 0.00 -4.25 1.46 4.07 0.84 -5.15 120.64 115.17 2aff n GLU 57 Ca -0.02 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.75 2aff n GLU 57 Cb 0.05 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 31.28 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 -1.04 2.51 -0.13 4.31 0.00 -1.26 -0.49 121.76 125.66 2aff s ALA 58 Ca 0.00 -1.13 -0.00 0.00 0.00 0.00 0.00 51.96 50.82 2aff s ALA 58 Cb 0.00 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 2aff s ALA 58 CO 0.00 -0.23 -0.12 0.42 0.00 0.00 0.00 175.76 175.83 2aff s ILE 59 N 1.13 3.14 -0.19 0.00 1.01 -0.86 0.60 121.20 126.03 2aff s ILE 59 Ca 0.01 -0.63 -0.18 0.00 0.00 0.00 0.00 60.65 59.85 2aff s ILE 59 Cb -0.14 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 2aff s ILE 59 CO -0.05 0.52 0.48 -0.22 0.00 0.00 0.00 174.94 175.67 2aff s LEU 60 N 0.29 4.17 -0.09 2.97 2.96 0.12 -2.12 118.68 126.98 2aff s LEU 60 Ca -0.09 0.66 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 2aff s LEU 60 Cb -0.16 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.85 2aff s LEU 60 CO 0.05 -0.13 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.87 2aff s HIS 61 N 1.39 2.90 -0.50 5.38 3.76 0.66 -0.60 115.29 128.29 2aff s HIS 61 Ca 0.23 -0.18 -0.17 0.00 -0.15 0.00 0.00 55.06 54.79 2aff s HIS 61 Cb -0.15 -1.77 0.08 0.00 1.11 0.00 0.00 32.58 31.84 2aff s HIS 61 CO 0.09 0.14 0.50 1.21 -0.85 0.00 0.00 174.74 175.84 2aff s ASN 62 N -0.37 6.18 0.00 1.40 3.04 -1.26 -1.68 114.94 122.24 2aff s ASN 62 Ca 0.05 -1.24 0.23 0.00 0.04 0.00 0.00 52.86 51.94 2aff s ASN 62 Cb -0.12 -2.23 0.12 0.00 -1.54 0.00 0.00 41.25 37.48 2aff s ASN 62 CO 0.02 -0.78 1.15 0.49 -3.04 0.00 0.00 177.10 174.94 2aff n PHE 63 N 5.60 0.00 -2.17 0.43 3.01 -0.71 -4.83 117.46 118.80 2aff n PHE 63 Ca -0.10 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.96 2aff n PHE 63 Cb 0.44 -0.09 -0.03 0.00 -0.01 0.00 0.00 39.48 39.79 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 -2.89 5.55 0.01 4.37 0.15 -0.25 -4.67 113.70 115.97 2aff s SER 64 Ca 0.12 0.23 0.27 0.00 0.70 0.00 0.00 55.95 57.27 2aff s SER 64 Cb 0.17 -2.54 0.89 0.00 -1.71 0.00 0.00 66.02 62.84 2aff s SER 64 CO 0.75 -2.18 1.69 -1.54 1.20 0.00 0.00 173.24 173.16 2aff n SER 65 N 11.69 0.25 -0.11 5.45 3.41 -1.26 -3.31 113.62 129.74 2aff n SER 65 Ca 0.16 0.16 -0.23 0.00 -0.26 0.00 0.00 58.87 58.71 2aff n SER 65 Cb 0.51 -0.16 -0.12 0.00 -0.26 0.00 0.00 64.21 64.18 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 1.55 -3.54 6.66 -1.04 -1.26 -4.85 114.28 110.29 2aff n THR 66 Ca 0.06 -0.47 -0.29 0.00 -2.04 0.00 0.00 64.05 61.32 2aff n THR 66 Cb 0.34 -1.68 -0.13 0.00 -1.82 0.00 0.00 70.33 67.04 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 -6.95 3.22 0.44 8.00 0.01 -1.25 -5.13 114.94 113.29 2aff s ASN 67 Ca -0.34 -2.14 -0.24 0.00 -0.71 0.00 0.00 52.86 49.43 2aff s ASN 67 Cb 0.10 -0.54 -0.10 0.00 0.41 0.00 0.00 41.25 41.12 2aff s ASN 67 CO 0.59 -0.32 1.04 -2.65 -1.51 0.00 0.00 177.10 174.25 2aff n PRO 68 N 4.12 1.39 -2.36 -0.60 -0.02 -1.21 -4.67 135.00 131.65 2aff n PRO 68 Ca 0.09 0.50 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 2aff n PRO 68 Cb 0.37 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 2aff n PRO 68 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2aff s THR 69 N -1.29 3.34 -0.09 3.45 2.01 -1.26 -4.80 115.64 116.99 2aff s THR 69 Ca 0.64 1.27 -0.05 0.00 0.31 0.00 0.00 61.69 63.86 2aff s THR 69 Cb -0.53 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 2aff s THR 69 CO 0.56 0.27 0.13 -1.10 -0.69 0.00 0.00 174.62 173.79 2aff s GLN 70 N -1.10 3.37 -0.04 4.92 -0.21 -0.81 -2.13 119.66 123.67 2aff s GLN 70 Ca 0.48 -0.21 0.03 0.00 0.02 0.00 0.00 55.36 55.68 2aff s GLN 70 Cb -0.34 -3.12 0.00 0.00 1.00 0.00 0.00 33.01 30.56 2aff s GLN 70 CO 0.42 0.75 -0.11 0.08 -2.12 0.00 0.00 175.29 174.31 2aff s VAL 71 N -1.07 0.98 -1.21 1.09 1.01 0.23 0.16 120.40 121.59 2aff s VAL 71 Ca 0.17 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 2aff s VAL 71 Cb -0.12 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.41 2aff s VAL 71 CO 0.07 0.30 0.24 0.59 0.00 0.00 0.00 175.10 176.30 2aff n ASN 72 N 3.40 -4.16 -0.96 3.32 3.02 0.43 0.50 115.26 120.80 2aff n ASN 72 Ca -0.19 -0.06 -0.08 0.00 -0.03 0.00 0.00 54.58 54.21 2aff n ASN 72 Cb 0.53 -3.47 -0.00 0.00 -0.61 0.00 0.00 39.78 36.23 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 -1.02 0.05 2.80 7.41 0.00 -1.26 -5.03 105.19 108.13 2aff n GLY 73 Ca -0.10 -0.53 -0.16 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 -2.63 0.21 0.28 1.61 0.01 0.18 -5.10 113.70 108.26 2aff s SER 74 Ca 0.00 0.01 -0.29 0.00 1.31 0.00 0.00 55.95 56.98 2aff s SER 74 Cb 0.00 -0.13 -0.10 0.00 0.21 0.00 0.00 66.02 66.01 2aff s SER 74 CO 0.00 -0.11 1.26 0.54 0.41 0.00 0.00 173.24 175.34 2aff s VAL 75 N 0.97 3.06 -0.25 3.43 0.11 -1.26 0.73 120.40 127.19 2aff s VAL 75 Ca -0.09 1.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.97 2aff s VAL 75 Cb -0.12 -3.63 0.05 0.00 -1.53 0.00 0.00 36.38 31.14 2aff s VAL 75 CO -0.02 0.21 -0.10 0.27 -3.33 0.00 0.00 175.10 172.13 2aff s ILE 76 N -0.76 2.37 -0.41 7.04 -4.36 -0.90 -4.90 121.20 119.28 2aff s ILE 76 Ca 0.50 -1.40 0.22 0.00 -0.26 0.00 0.00 60.65 59.71 2aff s ILE 76 Cb -0.37 -2.30 0.30 0.00 1.25 0.00 0.00 42.46 41.34 2aff s ILE 76 CO 0.45 0.09 1.57 0.44 0.24 0.00 0.00 174.94 177.74 2aff h ASP 77 N 7.87 0.00 -2.43 4.36 3.32 -1.95 -3.41 116.42 124.16 2aff h ASP 77 Ca -0.26 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.22 2aff h ASP 77 Cb 1.07 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.48 2aff h ASP 77 CO 0.52 0.05 -0.75 -1.61 -1.72 0.00 0.00 179.24 175.73 2aff s GLU 78 N -3.19 1.60 0.59 3.56 8.01 -1.26 -4.91 118.70 123.10 2aff s GLU 78 Ca 0.06 -1.73 -0.20 0.00 0.01 0.00 0.00 54.97 53.11 2aff s GLU 78 Cb 0.05 -1.61 -0.03 0.00 -4.31 0.00 0.00 34.13 28.23 2aff s GLU 78 CO 0.68 0.29 1.29 -1.25 0.01 0.00 0.00 175.26 176.28 2aff s PRO 79 N -3.55 2.92 -0.02 0.39 0.04 -1.26 -4.74 135.00 128.79 2aff s PRO 79 Ca 0.28 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.42 2aff s PRO 79 Cb -0.04 -2.04 -0.00 0.00 0.04 0.00 0.00 34.50 32.45 2aff s PRO 79 CO 0.13 -1.31 -0.12 0.08 0.04 0.00 0.00 177.00 175.82 2aff s VAL 80 N -1.41 0.98 0.09 -0.36 1.01 0.23 -4.95 120.40 116.00 2aff s VAL 80 Ca 0.77 -0.51 -0.31 0.00 0.00 0.00 0.00 61.98 61.93 2aff s VAL 80 Cb -0.37 -0.84 -0.07 0.00 0.00 0.00 0.00 36.38 35.10 2aff s VAL 80 CO 0.41 0.29 1.33 -0.60 0.00 0.00 0.00 175.10 176.53 2aff s ARG 81 N -0.10 4.35 0.12 2.72 3.52 -1.26 0.16 118.95 128.45 2aff s ARG 81 Ca 0.01 1.97 -0.29 0.00 -0.13 0.00 0.00 55.73 57.29 2aff s ARG 81 Cb -0.07 -3.31 -0.06 0.00 -1.56 0.00 0.00 34.95 29.95 2aff s ARG 81 CO 0.00 -0.40 0.93 -0.51 -0.81 0.00 0.00 175.30 174.51 2aff s LEU 82 N 1.23 4.51 0.07 -0.88 1.43 0.20 -4.88 118.68 120.36 2aff s LEU 82 Ca 0.63 1.76 0.04 0.00 -1.03 0.00 0.00 54.13 55.53 2aff s LEU 82 Cb -0.34 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.31 2aff s LEU 82 CO 0.29 -0.03 -0.11 -0.54 0.23 0.00 0.00 176.35 176.20 2aff s LYS 83 N -0.16 0.74 -0.23 1.70 1.02 -1.26 -4.54 119.74 117.01 2aff s LYS 83 Ca 0.45 -0.96 -0.36 0.00 0.02 0.00 0.00 55.97 55.12 2aff s LYS 83 Cb -0.23 -0.57 -0.12 0.00 -0.52 0.00 0.00 37.83 36.39 2aff s LYS 83 CO 0.29 0.11 1.96 1.58 -0.92 0.00 0.00 175.35 178.37 2aff n HIS 84 N 1.10 2.01 0.00 3.18 -0.00 -1.26 -0.37 115.22 119.88 2aff n HIS 84 Ca -0.20 0.22 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 2aff n HIS 84 Cb 0.55 -2.57 0.00 0.00 -0.00 0.00 0.00 29.99 27.97 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 5.10 1.74 3.74 1.57 0.00 -0.96 -4.97 105.19 111.41 2aff n GLY 85 Ca 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.72 6.86 -0.11 1.61 1.01 0.51 -4.81 116.67 120.02 2aff s ASP 86 Ca 0.00 2.46 0.01 0.00 0.71 0.00 0.00 52.55 55.72 2aff s ASP 86 Cb 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 2aff s ASP 86 CO 0.00 -0.55 -0.13 -0.69 0.21 0.00 0.00 175.17 174.01 2aff s VAL 87 N -0.01 3.05 -0.18 -1.27 1.01 -1.26 -2.22 120.40 119.52 2aff s VAL 87 Ca 0.56 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 2aff s VAL 87 Cb -0.37 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 2aff s VAL 87 CO 0.40 0.54 0.12 -0.63 0.00 0.00 0.00 175.10 175.53 2aff s ILE 88 N 0.06 5.34 -0.14 2.22 1.01 -0.92 -0.43 121.20 128.33 2aff s ILE 88 Ca -0.05 0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.78 2aff s ILE 88 Cb -0.15 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 38.93 2aff s ILE 88 CO 0.04 0.47 -0.20 -0.89 0.00 0.00 0.00 174.94 174.36 2aff s THR 89 N 0.11 1.96 -0.20 2.92 2.01 0.43 -0.73 115.64 122.14 2aff s THR 89 Ca 0.09 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.14 2aff s THR 89 Cb -0.11 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 2aff s THR 89 CO -0.01 0.53 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.78 2aff s ILE 90 N 0.93 3.51 0.00 1.82 1.01 0.86 -1.92 121.20 127.41 2aff s ILE 90 Ca -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.14 2aff s ILE 90 Cb -0.15 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.74 2aff s ILE 90 CO -0.04 0.44 0.00 -0.38 0.00 0.00 0.00 174.94 174.96 2aff n ILE 91 N 4.48 0.00 -0.07 2.92 2.08 -1.26 0.35 119.36 127.85 2aff n ILE 91 Ca -0.18 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.13 2aff n ILE 91 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.40 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2aff n ASP 92 N 1.23 1.62 -4.49 4.38 2.03 -1.26 -5.01 116.55 115.04 2aff n ASP 92 Ca 0.00 -1.69 -0.33 0.00 0.52 0.00 0.00 54.79 53.29 2aff n ASP 92 Cb 0.00 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.27 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 -0.69 3.10 0.04 -0.67 1.81 1.08 -4.92 118.95 118.71 2aff s ARG 93 Ca 0.00 -0.60 0.03 0.00 -1.72 0.00 0.00 55.73 53.45 2aff s ARG 93 Cb 0.00 -2.65 -0.02 0.00 -0.45 0.00 0.00 34.95 31.83 2aff s ARG 93 CO 0.00 0.44 -0.10 -1.12 -0.68 0.00 0.00 175.30 173.84 2aff s SER 94 N -0.22 1.19 -0.12 0.23 0.01 -1.26 0.30 113.70 113.83 2aff s SER 94 Ca 0.02 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.79 2aff s SER 94 Cb -0.13 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.09 2aff s SER 94 CO 0.03 -0.10 -0.15 -0.36 0.41 0.00 0.00 173.24 173.06 2aff s PHE 95 N -1.12 2.04 -0.04 2.43 0.40 0.09 -2.28 117.98 119.50 2aff s PHE 95 Ca -0.05 -0.99 -0.23 0.00 -0.60 0.00 0.00 56.93 55.06 2aff s PHE 95 Cb -0.09 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 2aff s PHE 95 CO 0.01 -0.51 0.68 1.03 0.70 0.00 0.00 175.22 177.13 2aff s ARG 96 N 1.04 4.42 -0.21 0.44 0.52 -0.84 -2.18 118.95 122.14 2aff s ARG 96 Ca -0.05 0.86 -0.14 0.00 -0.52 0.00 0.00 55.73 55.88 2aff s ARG 96 Cb -0.15 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 2aff s ARG 96 CO -0.03 0.17 0.30 -0.47 0.02 0.00 0.00 175.30 175.29 2aff s TYR 97 N 0.45 3.36 -0.12 -0.53 5.04 -0.94 -1.78 117.35 122.83 2aff s TYR 97 Ca 0.36 0.47 0.01 0.00 -2.44 0.00 0.00 57.07 55.46 2aff s TYR 97 Cb -0.18 -2.41 0.02 0.00 0.35 0.00 0.00 41.96 39.73 2aff s TYR 97 CO 0.18 0.04 -0.13 -2.00 -1.34 0.00 0.00 175.55 172.30 2aff s GLU 98 N 1.15 2.05 -0.35 4.97 2.12 -0.21 -2.26 118.70 126.17 2aff s GLU 98 Ca 0.14 -0.48 -0.08 0.00 0.36 0.00 0.00 54.97 54.91 2aff s GLU 98 Cb -0.14 -1.84 0.04 0.00 0.26 0.00 0.00 34.13 32.45 2aff s GLU 98 CO 0.06 -0.15 0.15 1.21 -0.54 0.00 0.00 175.26 175.99 2aff s ASN 99 N 1.25 5.48 0.00 -1.70 3.84 -1.26 -1.09 114.94 121.46 2aff s ASN 99 Ca -0.02 -1.11 0.07 0.00 0.21 0.00 0.00 52.86 52.02 2aff s ASN 99 Cb -0.14 -1.93 0.44 0.00 -0.55 0.00 0.00 41.25 39.07 2aff s ASN 99 CO -0.05 -0.36 0.90 1.21 -2.79 0.00 0.00 177.10 176.01