#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 -3.31 0.52 -2.24 -1.26 -4.86 114.28 103.13 2aff n THR 4 Ca 0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 2aff n THR 4 Cb 0.00 -0.45 -0.08 0.00 -2.10 0.00 0.00 70.33 67.70 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 -1.89 4.06 -0.02 -0.78 0.52 -1.26 -0.08 118.95 119.50 2aff s ARG 5 Ca 0.00 0.20 0.03 0.00 -0.52 0.00 0.00 55.73 55.45 2aff s ARG 5 Cb 0.00 -3.64 -0.00 0.00 0.52 0.00 0.00 34.95 31.83 2aff s ARG 5 CO 0.00 -0.28 -0.12 1.03 0.02 0.00 0.00 175.30 175.95 2aff s ARG 6 N 2.08 1.18 -0.14 3.54 0.52 -0.77 -1.82 118.95 123.53 2aff s ARG 6 Ca 0.19 -0.43 -0.02 0.00 -0.52 0.00 0.00 55.73 54.95 2aff s ARG 6 Cb -0.16 -1.08 -0.02 0.00 0.52 0.00 0.00 34.95 34.21 2aff s ARG 6 CO 0.09 0.20 -0.06 -1.17 0.02 0.00 0.00 175.30 174.38 2aff s LEU 7 N -0.01 3.10 -0.16 2.53 2.96 -0.99 -2.33 118.68 123.79 2aff s LEU 7 Ca -0.01 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 53.68 2aff s LEU 7 Cb -0.08 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 2aff s LEU 7 CO 0.01 0.18 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.52 2aff s VAL 8 N 0.28 4.18 -0.32 1.68 1.01 -0.76 0.12 120.40 126.58 2aff s VAL 8 Ca -0.05 -0.26 -0.20 0.00 0.00 0.00 0.00 61.98 61.47 2aff s VAL 8 Cb -0.14 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 2aff s VAL 8 CO 0.04 0.49 0.61 -0.89 0.00 0.00 0.00 175.10 175.35 2aff s THR 9 N 0.32 4.94 0.23 3.92 2.01 -0.88 -1.87 115.64 124.31 2aff s THR 9 Ca -0.02 0.72 -0.23 0.00 0.31 0.00 0.00 61.69 62.47 2aff s THR 9 Cb -0.14 -4.01 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 2aff s THR 9 CO 0.02 -0.19 0.80 -0.63 -0.69 0.00 0.00 174.62 173.92 2aff s ILE 10 N 2.61 4.41 0.33 1.82 1.01 -0.98 -1.98 121.20 128.42 2aff s ILE 10 Ca 0.24 1.57 -0.02 0.00 0.00 0.00 0.00 60.65 62.44 2aff s ILE 10 Cb -0.15 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 2aff s ILE 10 CO 0.13 0.30 0.56 -0.54 0.00 0.00 0.00 174.94 175.39 2aff s LYS 11 N -1.70 3.54 0.47 2.79 1.02 0.11 -4.56 119.74 121.41 2aff s LYS 11 Ca 0.42 -0.18 0.15 0.00 0.02 0.00 0.00 55.97 56.38 2aff s LYS 11 Cb -0.19 -2.65 1.14 0.00 -0.52 0.00 0.00 37.83 35.61 2aff s LYS 11 CO 0.24 0.16 2.05 0.00 -0.92 0.00 0.00 175.35 176.88 2aff h ARG 12 N 1.11 0.23 0.00 1.68 3.08 -1.87 0.45 114.38 119.05 2aff h ARG 12 Ca -0.49 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2aff h ARG 12 Cb 1.21 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2aff h ARG 12 CO 0.63 0.15 0.00 0.66 -1.07 0.00 0.00 179.97 180.34 2aff h SER 13 N 0.23 0.00 -0.25 7.04 4.64 -1.96 -3.46 113.55 119.79 2aff h SER 13 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2aff h SER 13 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2aff h SER 13 CO -0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 2aff n GLY 14 N 0.21 1.11 3.15 -0.77 0.00 0.16 -5.10 105.19 103.95 2aff n GLY 14 Ca 0.02 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.25 1.55 0.19 1.61 1.01 -1.23 -4.86 120.40 116.42 2aff s VAL 15 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 2aff s VAL 15 Cb 0.00 -1.34 -0.08 0.00 0.00 0.00 0.00 36.38 34.96 2aff s VAL 15 CO 0.00 0.44 1.04 -1.81 0.00 0.00 0.00 175.10 174.77 2aff s ASP 16 N 0.16 7.39 0.00 3.32 1.01 -1.26 0.07 116.67 127.36 2aff s ASP 16 Ca -0.08 2.02 0.00 0.00 0.71 0.00 0.00 52.55 55.20 2aff s ASP 16 Cb -0.13 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.19 2aff s ASP 16 CO 0.04 -0.10 0.00 0.61 0.21 0.00 0.00 175.17 175.92 2aff n GLY 17 N 1.87 3.07 3.78 0.21 0.00 -0.84 -4.94 105.19 108.35 2aff n GLY 17 Ca 0.01 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 3.03 3.35 0.23 1.61 0.04 -1.26 -4.75 135.00 137.25 2aff s PRO 18 Ca 0.00 1.46 0.07 0.00 0.04 0.00 0.00 61.00 62.57 2aff s PRO 18 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2aff s PRO 18 CO 0.00 -0.82 0.12 -3.38 0.04 0.00 0.00 177.00 172.96 2aff s HIS 19 N -2.01 2.99 -0.38 0.56 -3.43 -1.26 -2.07 115.29 109.69 2aff s HIS 19 Ca 0.69 -0.12 0.01 0.00 -0.80 0.00 0.00 55.06 54.84 2aff s HIS 19 Cb -0.20 -1.37 0.12 0.00 -1.43 0.00 0.00 32.58 29.69 2aff s HIS 19 CO 0.29 0.54 0.16 0.12 -2.00 0.00 0.00 174.74 173.86 2aff s PHE 20 N -2.07 2.11 0.08 0.38 5.36 0.31 -4.96 117.98 119.19 2aff s PHE 20 Ca 0.32 -2.24 -0.32 0.00 -0.96 0.00 0.00 56.93 53.72 2aff s PHE 20 Cb -0.08 -1.96 -0.11 0.00 -0.34 0.00 0.00 43.02 40.52 2aff s PHE 20 CO 0.23 -0.84 1.80 -2.30 -1.46 0.00 0.00 175.22 172.65 2aff n PRO 21 N 4.12 2.55 -1.18 10.12 -0.02 -1.26 -2.33 135.00 147.00 2aff n PRO 21 Ca 0.04 0.93 -0.19 0.00 -2.02 0.00 0.00 63.50 62.25 2aff n PRO 21 Cb 0.38 -2.79 -0.06 0.00 -0.02 0.00 0.00 33.50 31.01 2aff n PRO 21 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2aff n LEU 22 N 5.49 6.13 0.34 2.45 4.77 -0.76 -4.49 117.00 130.94 2aff n LEU 22 Ca 0.19 -3.58 0.22 0.00 -0.03 0.00 0.00 56.01 52.81 2aff n LEU 22 Cb 0.34 -1.22 1.21 0.00 -2.33 0.00 0.00 43.42 41.41 2aff n LEU 22 CO 0.67 1.56 1.19 -1.28 -1.33 0.00 0.00 177.39 178.19 2aff h SER 23 N 2.50 0.00 -3.75 -1.43 0.87 -1.89 -3.41 113.55 106.44 2aff h SER 23 Ca 0.30 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.36 2aff h SER 23 Cb 0.96 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 2aff h SER 23 CO 0.65 0.00 0.40 -0.76 -0.53 0.00 0.00 176.83 176.59 2aff s LEU 24 N -6.20 4.60 0.60 2.23 1.43 -1.26 -4.93 118.68 115.15 2aff s LEU 24 Ca -0.05 2.06 0.37 0.00 -1.03 0.00 0.00 54.13 55.48 2aff s LEU 24 Cb 0.13 -3.61 1.86 0.00 0.03 0.00 0.00 46.19 44.60 2aff s LEU 24 CO 0.41 0.02 2.18 0.77 0.23 0.00 0.00 176.35 179.96 2aff h SER 25 N 4.17 0.00 -3.63 2.29 4.64 -1.90 -3.41 113.55 115.70 2aff h SER 25 Ca -0.45 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.43 2aff h SER 25 Cb 1.21 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.97 2aff h SER 25 CO 0.68 0.02 -0.79 -0.89 -0.87 0.00 0.00 176.83 174.99 2aff s THR 26 N -3.99 0.75 -0.16 2.95 2.01 -1.26 -0.84 115.64 115.09 2aff s THR 26 Ca -0.02 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.68 2aff s THR 26 Cb 0.12 -0.70 0.03 0.00 0.01 0.00 0.00 72.50 71.96 2aff s THR 26 CO 0.49 0.25 -0.12 0.00 -0.69 0.00 0.00 174.62 174.56 2aff s LEU 28 N 1.48 2.51 -0.08 0.00 2.96 -1.26 -0.46 118.68 123.84 2aff s LEU 28 Ca 0.03 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2aff s LEU 28 Cb -0.14 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2aff s LEU 28 CO -0.10 0.15 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.69 2aff s PHE 29 N 0.44 3.06 -5.00 5.38 0.40 0.13 0.13 117.98 122.51 2aff s PHE 29 Ca -0.12 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.33 2aff s PHE 29 Cb -0.16 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.61 2aff s PHE 29 CO 0.05 0.40 0.00 0.41 0.70 0.00 0.00 175.22 176.79 2aff n GLY 30 N 2.18 -1.14 0.18 4.36 0.00 -0.91 -2.43 105.19 107.43 2aff n GLY 30 Ca -0.18 -1.57 -0.05 0.00 0.00 0.00 0.00 46.02 44.22 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 2.63 0.30 -6.36 1.61 3.08 -1.27 -2.99 114.38 111.37 2aff h ARG 31 Ca 0.00 -0.18 -0.61 0.00 0.07 0.00 0.00 59.98 59.26 2aff h ARG 31 Cb 0.00 0.02 0.13 0.00 0.08 0.00 0.00 29.97 30.20 2aff h ARG 31 CO 0.00 0.76 -0.24 0.41 -1.07 0.00 0.00 179.97 179.83 2aff n GLY 32 N 0.13 -1.11 0.27 0.04 0.00 -0.93 -4.82 105.19 98.78 2aff n GLY 32 Ca -0.02 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 1.16 1.27 0.00 -0.61 6.09 -1.90 -2.13 117.51 121.39 2aff h ILE 33 Ca -0.39 -1.21 0.00 0.00 -1.37 0.00 0.00 64.86 61.88 2aff h ILE 33 Cb 1.38 1.04 0.00 0.00 0.47 0.00 0.00 36.82 39.71 2aff h ILE 33 CO 0.55 0.42 0.20 -0.33 -3.07 0.00 0.00 178.15 175.92 2aff h GLU 34 N 0.79 0.00 -6.34 2.19 4.39 -1.96 -3.42 114.58 110.24 2aff h GLU 34 Ca 0.13 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.24 2aff h GLU 34 Cb 0.64 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.31 2aff h GLU 34 CO 0.04 0.00 1.06 0.00 -1.16 0.00 0.00 179.01 178.96 2aff h ASP 36 N 8.76 0.00 -3.20 0.00 3.32 -0.57 -3.35 116.42 121.39 2aff h ASP 36 Ca -0.48 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.02 2aff h ASP 36 Cb 1.26 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.44 2aff h ASP 36 CO 0.94 0.00 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.02 2aff s ILE 37 N -4.98 1.16 -0.12 0.35 1.01 -0.20 -4.94 121.20 113.47 2aff s ILE 37 Ca -0.05 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 2aff s ILE 37 Cb 0.17 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 2aff s ILE 37 CO 0.67 0.34 0.01 -0.60 0.00 0.00 0.00 174.94 175.36 2aff s ARG 38 N 1.65 3.35 -0.12 2.79 3.52 -1.26 -2.14 118.95 126.73 2aff s ARG 38 Ca 0.04 -0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.25 2aff s ARG 38 Cb -0.13 -2.92 -0.01 0.00 -1.56 0.00 0.00 34.95 30.33 2aff s ARG 38 CO -0.09 0.52 -0.17 0.42 -0.81 0.00 0.00 175.30 175.18 2aff s ILE 39 N -0.38 2.70 -0.45 4.11 1.01 -1.13 -4.96 121.20 122.10 2aff s ILE 39 Ca 0.08 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.94 2aff s ILE 39 Cb -0.12 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.24 2aff s ILE 39 CO 0.02 0.54 0.62 0.00 0.00 0.00 0.00 174.94 176.11 2aff n GLN 40 N 3.53 0.80 -3.32 2.79 6.02 -1.26 -4.48 117.38 121.45 2aff n GLN 40 Ca -0.18 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.43 2aff n GLN 40 Cb 0.53 -1.24 -0.06 0.00 1.02 0.00 0.00 30.24 30.49 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 4.25 0.00 1.08 1.43 -1.26 -4.95 118.68 119.23 2aff s LEU 41 Ca 0.00 0.76 0.19 0.00 -1.03 0.00 0.00 54.13 54.05 2aff s LEU 41 Cb 0.00 -2.67 0.90 0.00 0.03 0.00 0.00 46.19 44.45 2aff s LEU 41 CO 0.00 -0.03 1.62 -0.81 0.23 0.00 0.00 176.35 177.36 2aff n PRO 42 N 3.88 0.12 -0.16 1.29 -0.04 -1.26 -2.44 135.00 136.39 2aff n PRO 42 Ca -0.07 0.14 0.09 0.00 -0.04 0.00 0.00 63.50 63.62 2aff n PRO 42 Cb 0.51 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.41 0.53 -3.33 0.52 0.24 -1.26 -4.95 118.33 108.68 2aff n VAL 43 Ca 0.07 -0.77 -0.38 0.00 -2.04 0.00 0.00 64.34 61.22 2aff n VAL 43 Cb 0.20 0.91 -0.06 0.00 -1.47 0.00 0.00 33.84 33.42 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 -1.25 4.91 1.03 3.34 1.01 -1.02 -4.98 120.40 123.43 2aff s VAL 44 Ca 0.31 1.08 -0.12 0.00 0.00 0.00 0.00 61.98 63.25 2aff s VAL 44 Cb 0.18 -3.84 0.20 0.00 0.00 0.00 0.00 36.38 32.92 2aff s VAL 44 CO 0.25 0.51 1.08 -0.44 0.00 0.00 0.00 175.10 176.49 2aff s SER 45 N -0.71 2.28 0.12 3.32 0.01 -1.26 -4.48 113.70 112.98 2aff s SER 45 Ca 0.27 1.40 -0.17 0.00 1.31 0.00 0.00 55.95 58.76 2aff s SER 45 Cb -0.18 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 2aff s SER 45 CO 0.16 -3.37 1.67 0.11 0.41 0.00 0.00 173.24 172.22 2aff h LYS 46 N -2.06 0.52 0.00 12.44 1.57 -1.94 -1.60 116.57 125.50 2aff h LYS 46 Ca -0.55 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 2aff h LYS 46 Cb 1.32 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2aff h LYS 46 CO 0.54 0.51 -0.93 1.04 -0.57 0.00 0.00 179.45 180.03 2aff n GLN 47 N -4.70 1.78 0.00 3.15 6.02 -1.26 -2.20 117.38 120.18 2aff n GLN 47 Ca -0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 2aff n GLN 47 Cb 0.14 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 30.39 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 -1.51 0.00 -4.51 1.08 -0.00 -1.15 -3.91 115.22 105.22 2aff n HIS 48 Ca -0.00 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.95 2aff n HIS 48 Cb 0.12 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.83 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 0.28 1.88 -0.11 0.00 2.20 -0.59 0.18 119.74 123.58 2aff s LYS 50 Ca -0.06 -0.45 -0.00 0.00 -0.36 0.00 0.00 55.97 55.10 2aff s LYS 50 Cb -0.11 -1.62 -0.02 0.00 -1.51 0.00 0.00 37.83 34.57 2aff s LYS 50 CO 0.01 -0.05 -0.09 0.42 -0.36 0.00 0.00 175.35 175.29 2aff s ILE 51 N 0.94 3.50 -0.18 5.43 1.01 0.39 0.54 121.20 132.83 2aff s ILE 51 Ca -0.09 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.03 2aff s ILE 51 Cb -0.15 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.86 2aff s ILE 51 CO 0.00 0.55 -0.15 -0.70 0.00 0.00 0.00 174.94 174.64 2aff s GLU 52 N -0.14 3.17 -0.28 2.79 2.12 -0.08 -1.87 118.70 124.42 2aff s GLU 52 Ca 0.01 -0.75 -0.09 0.00 0.36 0.00 0.00 54.97 54.49 2aff s GLU 52 Cb -0.13 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.55 2aff s GLU 52 CO 0.03 -0.10 0.14 0.42 -0.54 0.00 0.00 175.26 175.21 2aff s ILE 53 N 1.10 4.75 -0.05 -3.70 1.01 -0.02 -1.45 121.20 122.83 2aff s ILE 53 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.56 2aff s ILE 53 Cb -0.14 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 2aff s ILE 53 CO -0.05 0.23 -0.14 -1.00 0.00 0.00 0.00 174.94 173.97 2aff s HIS 54 N 1.67 2.70 0.60 3.97 3.76 0.24 -4.89 115.29 123.33 2aff s HIS 54 Ca 0.06 -0.17 0.25 0.00 -0.15 0.00 0.00 55.06 55.06 2aff s HIS 54 Cb -0.16 -1.63 0.87 0.00 1.11 0.00 0.00 32.58 32.77 2aff s HIS 54 CO 0.07 0.18 1.27 0.39 -0.85 0.00 0.00 174.74 175.80 2aff n GLU 55 N 2.32 0.01 0.10 1.40 1.02 -1.26 0.61 120.64 124.84 2aff n GLU 55 Ca -0.17 1.01 -0.04 0.00 -0.02 0.00 0.00 57.16 57.94 2aff n GLU 55 Cb 0.52 -2.52 -0.02 0.00 -0.02 0.00 0.00 31.44 29.41 2aff n GLU 55 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2aff h GLN 56 N 0.00 -0.24 0.00 3.49 4.15 -2.01 -3.49 115.11 117.01 2aff h GLN 56 Ca 0.47 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.91 2aff h GLN 56 Cb 2.88 0.06 0.00 0.00 0.21 0.00 0.00 27.48 30.63 2aff h GLN 56 CO -0.00 -0.16 0.00 -1.91 -1.93 0.00 0.00 178.83 174.82 2aff n GLU 57 N -2.84 0.00 -4.92 1.69 4.07 0.20 -5.16 120.64 113.68 2aff n GLU 57 Ca -0.03 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.74 2aff n GLU 57 Cb 0.10 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.32 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 -1.08 2.32 -0.11 4.31 0.00 -1.26 -0.59 121.76 125.35 2aff s ALA 58 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2aff s ALA 58 Cb 0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 23.12 22.13 2aff s ALA 58 CO 0.00 0.17 -0.21 0.42 0.00 0.00 0.00 175.76 176.14 2aff s ILE 59 N 0.50 2.28 -0.20 0.00 1.01 -0.53 0.16 121.20 124.43 2aff s ILE 59 Ca -0.13 -0.94 -0.10 0.00 0.00 0.00 0.00 60.65 59.48 2aff s ILE 59 Cb -0.17 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 2aff s ILE 59 CO 0.05 0.55 0.15 -0.22 0.00 0.00 0.00 174.94 175.47 2aff s LEU 60 N 0.37 4.21 -0.10 2.97 2.96 0.10 -0.90 118.68 128.29 2aff s LEU 60 Ca -0.16 0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.99 2aff s LEU 60 Cb -0.17 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 2aff s LEU 60 CO 0.08 0.16 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.19 2aff s HIS 61 N 0.42 2.92 -0.43 5.38 3.76 0.19 -1.87 115.29 125.66 2aff s HIS 61 Ca 0.09 -0.17 -0.17 0.00 -0.15 0.00 0.00 55.06 54.65 2aff s HIS 61 Cb -0.11 -1.79 0.03 0.00 1.11 0.00 0.00 32.58 31.82 2aff s HIS 61 CO -0.01 0.14 0.43 1.21 -0.85 0.00 0.00 174.74 175.66 2aff s ASN 62 N -0.33 6.18 0.00 1.40 2.47 -1.26 -1.55 114.94 121.85 2aff s ASN 62 Ca 0.05 -0.76 0.21 0.00 0.42 0.00 0.00 52.86 52.77 2aff s ASN 62 Cb -0.13 -2.22 -0.20 0.00 -1.45 0.00 0.00 41.25 37.26 2aff s ASN 62 CO 0.02 -0.58 0.92 0.49 -3.72 0.00 0.00 177.10 174.23 2aff n PHE 63 N 5.55 0.00 -2.60 0.43 3.01 0.12 -4.90 117.46 119.08 2aff n PHE 63 Ca -0.08 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.95 2aff n PHE 63 Cb 0.47 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.91 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 -2.97 7.05 -0.19 4.37 0.15 -0.43 -4.64 113.70 117.04 2aff s SER 64 Ca 0.09 1.45 0.17 0.00 0.70 0.00 0.00 55.95 58.35 2aff s SER 64 Cb 0.16 -2.54 -0.24 0.00 -1.71 0.00 0.00 66.02 61.69 2aff s SER 64 CO 0.85 -0.71 0.07 -1.54 1.20 0.00 0.00 173.24 173.11 2aff n SER 65 N 6.43 0.26 -0.16 5.45 3.41 -1.26 -3.61 113.62 124.13 2aff n SER 65 Ca 0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.63 2aff n SER 65 Cb 0.46 0.98 -0.00 0.00 -0.26 0.00 0.00 64.21 65.39 2aff n SER 65 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2aff h THR 66 N 0.00 1.27 -2.09 6.66 1.35 -2.00 -3.41 112.91 114.69 2aff h THR 66 Ca -0.52 -1.11 -0.30 0.00 -0.55 0.00 0.00 66.41 63.93 2aff h THR 66 Cb 2.17 1.04 -0.32 0.00 -1.73 0.00 0.00 68.15 69.31 2aff h THR 66 CO 0.03 0.39 -0.61 0.20 -0.25 0.00 0.00 175.52 175.27 2aff s ASN 67 N -6.38 1.41 0.69 5.36 0.01 -1.26 -5.15 114.94 109.60 2aff s ASN 67 Ca -0.12 -0.62 -0.15 0.00 -0.71 0.00 0.00 52.86 51.25 2aff s ASN 67 Cb 0.11 0.62 0.01 0.00 0.41 0.00 0.00 41.25 42.40 2aff s ASN 67 CO 0.82 -0.38 1.16 -2.16 -1.51 0.00 0.00 177.10 175.03 2aff s PRO 68 N 2.39 2.52 0.48 -0.60 0.04 -1.24 -4.68 135.00 133.92 2aff s PRO 68 Ca 0.09 1.59 -0.20 0.00 0.04 0.00 0.00 61.00 62.52 2aff s PRO 68 Cb -0.14 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 2aff s PRO 68 CO -0.30 -1.51 1.03 0.99 0.04 0.00 0.00 177.00 177.25 2aff s THR 69 N -2.13 3.82 -0.05 1.26 2.01 -1.26 -4.85 115.64 114.43 2aff s THR 69 Ca 0.71 1.14 0.03 0.00 0.31 0.00 0.00 61.69 63.88 2aff s THR 69 Cb -0.25 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2aff s THR 69 CO 0.42 -0.24 -0.12 -1.10 -0.69 0.00 0.00 174.62 172.90 2aff s GLN 70 N -3.21 2.58 -0.03 4.92 -0.21 0.02 -1.22 119.66 122.50 2aff s GLN 70 Ca 0.67 -0.65 0.03 0.00 0.02 0.00 0.00 55.36 55.43 2aff s GLN 70 Cb -0.16 -2.45 -0.00 0.00 1.00 0.00 0.00 33.01 31.40 2aff s GLN 70 CO 0.20 0.64 -0.13 0.08 -2.12 0.00 0.00 175.29 173.95 2aff s VAL 71 N -0.77 1.11 -1.18 1.09 1.01 0.40 0.22 120.40 122.28 2aff s VAL 71 Ca 0.12 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 2aff s VAL 71 Cb -0.11 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.32 2aff s VAL 71 CO 0.01 0.33 0.17 0.59 0.00 0.00 0.00 175.10 176.20 2aff n ASN 72 N 3.20 -4.14 -0.68 3.32 3.02 -0.60 0.95 115.26 120.34 2aff n ASN 72 Ca -0.18 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.30 2aff n ASN 72 Cb 0.54 -3.47 -0.01 0.00 -0.61 0.00 0.00 39.78 36.22 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 -0.97 0.43 2.90 7.41 0.00 -1.26 -5.03 105.19 108.67 2aff n GLY 73 Ca -0.12 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.79 0.52 0.25 1.61 0.01 0.27 -5.08 113.70 108.49 2aff s SER 74 Ca 0.00 -0.07 -0.30 0.00 1.31 0.00 0.00 55.95 56.89 2aff s SER 74 Cb 0.00 -0.15 -0.10 0.00 0.21 0.00 0.00 66.02 65.98 2aff s SER 74 CO 0.00 -0.00 1.38 -0.69 0.41 0.00 0.00 173.24 174.34 2aff s VAL 75 N 0.33 2.80 -0.50 3.43 1.01 -1.26 0.15 120.40 126.35 2aff s VAL 75 Ca -0.03 0.69 -0.09 0.00 0.00 0.00 0.00 61.98 62.54 2aff s VAL 75 Cb -0.07 -3.44 0.13 0.00 0.00 0.00 0.00 36.38 33.00 2aff s VAL 75 CO -0.01 0.12 0.38 0.27 0.00 0.00 0.00 175.10 175.86 2aff s ILE 76 N -0.20 4.28 0.38 2.22 -4.36 -0.36 -4.88 121.20 118.29 2aff s ILE 76 Ca 0.57 -1.90 0.07 0.00 -0.26 0.00 0.00 60.65 59.13 2aff s ILE 76 Cb -0.40 -3.81 0.18 0.00 1.25 0.00 0.00 42.46 39.68 2aff s ILE 76 CO 0.44 -0.80 1.94 0.44 0.24 0.00 0.00 174.94 177.20 2aff h ASP 77 N 8.33 0.36 -4.70 4.36 3.32 -1.94 -3.43 116.42 122.72 2aff h ASP 77 Ca -0.18 -0.06 -0.52 0.00 0.02 0.00 0.00 57.03 56.29 2aff h ASP 77 Cb 1.06 -0.09 -0.11 0.00 0.22 0.00 0.00 39.33 40.41 2aff h ASP 77 CO 0.85 0.42 -0.43 -0.62 -1.72 0.00 0.00 179.24 177.75 2aff n GLU 78 N -4.33 0.64 -1.77 3.56 1.02 -1.26 -4.97 120.64 113.53 2aff n GLU 78 Ca 0.01 -3.18 -0.38 0.00 -0.02 0.00 0.00 57.16 53.59 2aff n GLU 78 Cb 0.21 1.64 0.04 0.00 -0.02 0.00 0.00 31.44 33.31 2aff n GLU 78 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 2aff s PRO 79 N -3.45 3.11 -0.00 3.49 0.02 -1.26 -4.73 135.00 132.17 2aff s PRO 79 Ca 0.17 2.24 -0.00 0.00 0.02 0.00 0.00 61.00 63.43 2aff s PRO 79 Cb 0.01 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 32.29 2aff s PRO 79 CO 0.12 -1.22 0.00 0.54 -0.33 0.00 0.00 177.00 176.12 2aff s VAL 80 N -1.30 -0.00 -0.00 3.83 0.11 -0.78 -5.00 120.40 117.25 2aff s VAL 80 Ca 0.72 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 59.48 2aff s VAL 80 Cb -0.40 -0.01 -0.04 0.00 -1.53 0.00 0.00 36.38 34.39 2aff s VAL 80 CO 0.48 0.00 1.18 -0.60 -3.33 0.00 0.00 175.10 172.83 2aff s ARG 81 N 0.04 4.40 0.19 1.54 3.52 -1.26 -0.72 118.95 126.66 2aff s ARG 81 Ca -0.00 1.69 -0.24 0.00 -0.13 0.00 0.00 55.73 57.04 2aff s ARG 81 Cb -0.00 -3.46 -0.08 0.00 -1.56 0.00 0.00 34.95 29.84 2aff s ARG 81 CO -0.00 -0.33 0.78 -0.51 -0.81 0.00 0.00 175.30 174.43 2aff s LEU 82 N 1.62 4.52 0.07 -0.88 1.43 0.43 -4.92 118.68 120.96 2aff s LEU 82 Ca 0.57 1.61 0.05 0.00 -1.03 0.00 0.00 54.13 55.33 2aff s LEU 82 Cb -0.26 -3.41 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 2aff s LEU 82 CO 0.26 0.15 -0.14 -0.75 0.23 0.00 0.00 176.35 176.10 2aff s LYS 83 N -1.39 0.83 -0.20 1.70 2.20 -1.26 -4.25 119.74 117.36 2aff s LYS 83 Ca 0.38 -0.92 -0.36 0.00 -0.36 0.00 0.00 55.97 54.71 2aff s LYS 83 Cb -0.21 -0.83 -0.13 0.00 -1.51 0.00 0.00 37.83 35.15 2aff s LYS 83 CO 0.25 0.19 1.91 1.58 -0.36 0.00 0.00 175.35 178.91 2aff n HIS 84 N 1.38 2.12 0.00 4.03 -0.00 -1.26 0.08 115.22 121.56 2aff n HIS 84 Ca -0.21 0.20 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2aff n HIS 84 Cb 0.54 -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 4.77 2.26 3.77 1.57 0.00 0.18 -4.98 105.19 112.76 2aff n GLY 85 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.59 6.74 -0.12 1.61 1.01 0.11 -4.75 116.67 119.67 2aff s ASP 86 Ca 0.00 2.71 -0.01 0.00 0.71 0.00 0.00 52.55 55.96 2aff s ASP 86 Cb 0.00 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 2aff s ASP 86 CO 0.00 -0.57 -0.08 0.54 0.21 0.00 0.00 175.17 175.27 2aff s VAL 87 N -1.07 3.56 -0.20 -1.27 0.11 -1.26 -1.64 120.40 118.63 2aff s VAL 87 Ca 0.50 -0.49 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 2aff s VAL 87 Cb -0.40 -2.51 -0.05 0.00 -1.53 0.00 0.00 36.38 31.89 2aff s VAL 87 CO 0.53 0.53 0.11 -0.63 -3.33 0.00 0.00 175.10 172.32 2aff s ILE 88 N 0.00 5.22 -0.13 7.04 1.01 -0.58 -1.56 121.20 132.20 2aff s ILE 88 Ca -0.01 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.77 2aff s ILE 88 Cb -0.14 -3.38 0.02 0.00 0.01 0.00 0.00 42.46 38.98 2aff s ILE 88 CO 0.03 0.44 -0.15 -0.89 0.00 0.00 0.00 174.94 174.37 2aff s THR 89 N 0.41 1.58 -0.20 2.92 2.01 0.60 -0.05 115.64 122.91 2aff s THR 89 Ca 0.06 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.36 2aff s THR 89 Cb -0.12 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 2aff s THR 89 CO -0.01 0.46 0.00 -0.63 -0.69 0.00 0.00 174.62 173.75 2aff s ILE 90 N 1.26 3.99 0.00 1.82 1.01 0.90 -0.80 121.20 129.38 2aff s ILE 90 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.35 2aff s ILE 90 Cb -0.14 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.53 2aff s ILE 90 CO -0.07 0.43 0.00 -0.38 0.00 0.00 0.00 174.94 174.92 2aff n ILE 91 N 4.17 0.00 0.01 2.92 5.41 -1.26 0.34 119.36 130.94 2aff n ILE 91 Ca -0.17 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.59 2aff n ILE 91 Cb 0.52 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.48 2aff n ILE 91 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2aff n ASP 92 N 1.83 1.94 -4.51 4.38 5.75 -1.26 -4.98 116.55 119.69 2aff n ASP 92 Ca 0.00 -1.72 -0.34 0.00 -0.01 0.00 0.00 54.79 52.72 2aff n ASP 92 Cb 0.00 -0.04 -0.12 0.00 -1.03 0.00 0.00 41.12 39.92 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2aff s ARG 93 N -0.76 3.23 0.04 0.11 1.81 1.05 -4.79 118.95 119.63 2aff s ARG 93 Ca 0.06 -0.56 0.01 0.00 -1.72 0.00 0.00 55.73 53.52 2aff s ARG 93 Cb 0.03 -2.73 -0.02 0.00 -0.45 0.00 0.00 34.95 31.78 2aff s ARG 93 CO 0.04 0.42 -0.06 -1.54 -0.68 0.00 0.00 175.30 173.48 2aff s SER 94 N -0.14 0.64 -0.11 0.23 1.04 -1.26 0.31 113.70 114.40 2aff s SER 94 Ca 0.02 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.89 2aff s SER 94 Cb -0.13 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.07 2aff s SER 94 CO 0.03 -0.27 -0.15 -0.36 0.98 0.00 0.00 173.24 173.47 2aff s PHE 95 N -1.63 1.96 0.00 5.02 0.40 0.92 -2.31 117.98 122.35 2aff s PHE 95 Ca -0.10 -0.95 -0.22 0.00 -0.60 0.00 0.00 56.93 55.06 2aff s PHE 95 Cb -0.08 -1.43 -0.05 0.00 0.51 0.00 0.00 43.02 41.97 2aff s PHE 95 CO -0.01 -0.50 0.67 1.03 0.70 0.00 0.00 175.22 177.11 2aff s ARG 96 N 1.07 4.40 -0.22 0.44 0.52 -0.78 -1.52 118.95 122.86 2aff s ARG 96 Ca -0.05 0.87 -0.11 0.00 -0.52 0.00 0.00 55.73 55.92 2aff s ARG 96 Cb -0.15 -3.36 -0.05 0.00 0.52 0.00 0.00 34.95 31.91 2aff s ARG 96 CO -0.03 0.30 0.18 -0.47 0.02 0.00 0.00 175.30 175.30 2aff s TYR 97 N -0.00 3.35 -0.07 -0.53 5.04 -0.65 -1.82 117.35 122.66 2aff s TYR 97 Ca 0.34 0.31 -0.03 0.00 -2.44 0.00 0.00 57.07 55.26 2aff s TYR 97 Cb -0.19 -2.27 0.04 0.00 0.35 0.00 0.00 41.96 39.89 2aff s TYR 97 CO 0.19 0.13 0.15 -1.21 -1.34 0.00 0.00 175.55 173.47 2aff s GLU 98 N 0.86 0.07 -0.20 4.97 2.02 -0.98 -0.65 118.70 124.79 2aff s GLU 98 Ca 0.09 0.45 -0.07 0.00 0.02 0.00 0.00 54.97 55.46 2aff s GLU 98 Cb -0.13 -0.22 -0.04 0.00 0.10 0.00 0.00 34.13 33.85 2aff s GLU 98 CO 0.03 -0.22 0.06 -0.80 0.02 0.00 0.00 175.26 174.34 2aff s ASN 99 N 1.63 5.46 0.00 -0.19 0.01 -1.26 -1.85 114.94 118.74 2aff s ASN 99 Ca -0.04 0.00 0.16 0.00 -0.71 0.00 0.00 52.86 52.27 2aff s ASN 99 Cb -0.12 -1.94 0.97 0.00 0.41 0.00 0.00 41.25 40.57 2aff s ASN 99 CO -0.06 0.13 1.38 -0.62 -1.51 0.00 0.00 177.10 176.42