#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aff h THR 4 N 0.00 1.41 -3.62 0.52 1.35 -1.95 -3.44 112.91 107.19 2aff h THR 4 Ca 0.00 -2.70 -0.62 0.00 -0.55 0.00 0.00 66.41 62.54 2aff h THR 4 Cb 0.00 2.71 -0.15 0.00 -1.73 0.00 0.00 68.15 68.99 2aff h THR 4 CO 0.00 0.80 -0.49 -0.13 -0.25 0.00 0.00 175.52 175.45 2aff s ARG 5 N -2.94 4.06 0.02 4.72 0.52 -1.26 0.18 118.95 124.26 2aff s ARG 5 Ca -0.06 -0.26 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 2aff s ARG 5 Cb 0.07 -3.55 -0.02 0.00 0.52 0.00 0.00 34.95 31.97 2aff s ARG 5 CO 0.89 0.03 -0.09 1.03 0.02 0.00 0.00 175.30 177.18 2aff s ARG 6 N 1.15 0.66 -0.07 3.54 0.52 -0.27 -2.18 118.95 122.30 2aff s ARG 6 Ca 0.08 -0.56 0.01 0.00 -0.52 0.00 0.00 55.73 54.75 2aff s ARG 6 Cb -0.14 -0.58 -0.03 0.00 0.52 0.00 0.00 34.95 34.72 2aff s ARG 6 CO 0.05 0.14 -0.09 -0.51 0.02 0.00 0.00 175.30 174.91 2aff s LEU 7 N -0.89 3.01 -0.17 2.53 1.43 -0.86 -1.61 118.68 122.11 2aff s LEU 7 Ca -0.02 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2aff s LEU 7 Cb -0.06 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 2aff s LEU 7 CO 0.00 0.34 -0.08 -0.69 0.23 0.00 0.00 176.35 176.15 2aff s VAL 8 N -0.67 3.34 0.25 -1.59 1.01 -0.89 -0.19 120.40 121.65 2aff s VAL 8 Ca 0.10 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 2aff s VAL 8 Cb -0.11 -2.46 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 2aff s VAL 8 CO 0.01 0.48 1.09 -0.89 0.00 0.00 0.00 175.10 175.80 2aff s THR 9 N 0.81 3.63 -0.13 3.92 2.01 -0.51 -1.94 115.64 123.43 2aff s THR 9 Ca -0.03 1.56 -0.02 0.00 0.31 0.00 0.00 61.69 63.51 2aff s THR 9 Cb -0.15 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 2aff s THR 9 CO 0.01 0.34 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.60 2aff s ILE 10 N -0.86 3.77 0.37 1.82 1.01 -0.55 -1.55 121.20 125.21 2aff s ILE 10 Ca 0.46 -0.42 -0.05 0.00 0.00 0.00 0.00 60.65 60.64 2aff s ILE 10 Cb -0.31 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 2aff s ILE 10 CO 0.39 0.53 0.65 -0.54 0.00 0.00 0.00 174.94 175.96 2aff s LYS 11 N 0.01 3.60 0.60 2.79 1.02 0.00 -4.22 119.74 123.55 2aff s LYS 11 Ca -0.00 0.06 0.34 0.00 0.02 0.00 0.00 55.97 56.39 2aff s LYS 11 Cb -0.13 -2.53 1.91 0.00 -0.52 0.00 0.00 37.83 36.56 2aff s LYS 11 CO 0.03 0.05 2.25 0.00 -0.92 0.00 0.00 175.35 176.75 2aff h ARG 12 N 1.02 0.00 0.00 1.68 3.08 -1.89 0.47 114.38 118.74 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 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2aff h ARG 12 CO 0.63 0.02 0.00 0.77 -1.07 0.00 0.00 179.97 180.33 2aff h SER 13 N 0.00 0.00 -0.10 7.04 0.02 -1.93 -3.46 113.55 115.12 2aff h SER 13 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2aff h SER 13 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2aff h SER 13 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2aff n GLY 14 N 0.75 1.34 3.30 -3.77 0.00 0.16 -5.10 105.19 101.88 2aff n GLY 14 Ca 0.04 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.10 2.46 0.21 1.61 1.01 -1.24 -4.85 120.40 117.50 2aff s VAL 15 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 2aff s VAL 15 Cb 0.00 -1.96 -0.08 0.00 0.00 0.00 0.00 36.38 34.33 2aff s VAL 15 CO 0.00 0.55 1.14 -1.81 0.00 0.00 0.00 175.10 174.98 2aff s ASP 16 N 0.16 7.19 0.00 3.32 1.01 -1.26 -0.82 116.67 126.27 2aff s ASP 16 Ca -0.11 2.20 0.00 0.00 0.71 0.00 0.00 52.55 55.35 2aff s ASP 16 Cb -0.16 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.16 2aff s ASP 16 CO 0.06 -0.26 0.00 0.61 0.21 0.00 0.00 175.17 175.79 2aff n GLY 17 N 1.86 3.13 3.79 0.21 0.00 -0.59 -4.95 105.19 108.63 2aff n GLY 17 Ca 0.02 -0.29 -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 3.00 3.61 0.22 1.61 0.04 -1.26 -4.64 135.00 137.57 2aff s PRO 18 Ca 0.00 1.45 0.09 0.00 0.04 0.00 0.00 61.00 62.58 2aff s PRO 18 Cb 0.00 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2aff s PRO 18 CO 0.00 -0.60 -0.02 -3.38 0.04 0.00 0.00 177.00 173.04 2aff s HIS 19 N -1.92 2.74 -0.30 0.56 -3.43 -1.26 -1.43 115.29 110.27 2aff s HIS 19 Ca 0.69 -0.19 0.02 0.00 -0.80 0.00 0.00 55.06 54.79 2aff s HIS 19 Cb -0.19 -1.28 0.08 0.00 -1.43 0.00 0.00 32.58 29.76 2aff s HIS 19 CO 0.23 0.56 0.01 0.12 -2.00 0.00 0.00 174.74 173.66 2aff s PHE 20 N -1.98 3.05 0.03 0.38 5.36 0.73 -4.93 117.98 120.62 2aff s PHE 20 Ca 0.29 -2.41 -0.30 0.00 -0.96 0.00 0.00 56.93 53.54 2aff s PHE 20 Cb -0.08 -2.26 -0.06 0.00 -0.34 0.00 0.00 43.02 40.28 2aff s PHE 20 CO 0.19 -0.89 1.34 -1.25 -1.46 0.00 0.00 175.22 173.15 2aff s PRO 21 N 1.16 4.33 -0.18 10.12 0.04 -1.26 -2.03 135.00 147.17 2aff s PRO 21 Ca 0.04 1.92 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 2aff s PRO 21 Cb -0.19 -3.45 -0.11 0.00 0.04 0.00 0.00 34.50 30.79 2aff s PRO 21 CO -0.10 -0.47 3.14 1.28 0.04 0.00 0.00 177.00 180.89 2aff n LEU 22 N 4.74 5.75 0.29 -3.56 4.77 -0.93 -4.47 117.00 123.60 2aff n LEU 22 Ca 0.12 -3.45 0.16 0.00 -0.03 0.00 0.00 56.01 52.80 2aff n LEU 22 Cb 0.44 -1.32 0.91 0.00 -2.33 0.00 0.00 43.42 41.13 2aff n LEU 22 CO 0.58 1.64 1.10 0.77 -1.33 0.00 0.00 177.39 180.14 2aff h SER 23 N 2.79 0.00 -3.77 -1.43 4.64 -1.91 -3.41 113.55 110.46 2aff h SER 23 Ca 0.26 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.08 2aff h SER 23 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2aff h SER 23 CO 0.47 0.03 0.41 -0.76 -0.87 0.00 0.00 176.83 176.11 2aff s LEU 24 N -7.35 4.60 0.54 5.97 1.43 -1.26 -4.93 118.68 117.68 2aff s LEU 24 Ca -0.04 2.09 0.35 0.00 -1.03 0.00 0.00 54.13 55.50 2aff s LEU 24 Cb 0.14 -3.62 1.65 0.00 0.03 0.00 0.00 46.19 44.40 2aff s LEU 24 CO 0.54 0.01 2.05 0.77 0.23 0.00 0.00 176.35 179.95 2aff h SER 25 N 4.06 0.00 -3.62 2.29 4.64 -1.90 -3.42 113.55 115.60 2aff h SER 25 Ca -0.46 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.44 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 0.00 -0.78 -0.89 -0.87 0.00 0.00 176.83 174.96 2aff s THR 26 N -3.77 0.71 -0.16 2.95 2.01 -1.26 -0.69 115.64 115.43 2aff s THR 26 Ca -0.01 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.72 2aff s THR 26 Cb 0.10 -0.67 0.03 0.00 0.01 0.00 0.00 72.50 71.97 2aff s THR 26 CO 0.46 0.24 -0.12 0.00 -0.69 0.00 0.00 174.62 174.51 2aff s LEU 28 N 1.50 2.43 -0.06 0.00 2.96 -1.26 0.12 118.68 124.36 2aff s LEU 28 Ca 0.03 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.48 2aff s LEU 28 Cb -0.14 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2aff s LEU 28 CO -0.10 0.14 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.70 2aff s PHE 29 N 0.49 3.11 -5.00 5.38 0.40 0.20 0.02 117.98 122.59 2aff s PHE 29 Ca -0.12 0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 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 0.45 0.00 0.41 0.70 0.00 0.00 175.22 176.83 2aff n GLY 30 N 1.98 -1.07 0.07 4.36 0.00 -0.85 -2.24 105.19 107.44 2aff n GLY 30 Ca -0.18 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 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 0.66 0.06 -6.52 1.61 3.08 -1.14 -2.99 114.38 109.13 2aff h ARG 31 Ca 0.00 -0.10 -0.60 0.00 0.07 0.00 0.00 59.98 59.36 2aff h ARG 31 Cb 0.00 0.04 0.12 0.00 0.08 0.00 0.00 29.97 30.21 2aff h ARG 31 CO 0.00 0.99 0.08 0.41 -1.07 0.00 0.00 179.97 180.38 2aff n GLY 32 N 1.42 -0.39 0.22 0.04 0.00 -1.04 -4.88 105.19 100.55 2aff n GLY 32 Ca -0.04 0.22 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 1.68 1.25 0.00 -0.61 1.08 -1.92 -2.01 117.51 116.98 2aff h ILE 33 Ca -0.41 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.11 2aff h ILE 33 Cb 1.35 1.06 0.00 0.00 -3.07 0.00 0.00 36.82 36.15 2aff h ILE 33 CO 0.58 0.32 0.11 -0.08 -0.69 0.00 0.00 178.15 178.39 2aff h GLU 34 N 0.55 0.00 -6.68 2.37 4.57 -1.98 -3.42 114.58 109.99 2aff h GLU 34 Ca 0.12 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.78 2aff h GLU 34 Cb 0.42 0.00 0.06 0.00 -0.16 0.00 0.00 28.75 29.08 2aff h GLU 34 CO 0.01 0.00 0.98 0.00 -1.18 0.00 0.00 179.01 178.83 2aff h ASP 36 N 6.40 0.44 -3.17 0.00 3.32 -0.67 -3.38 116.42 119.35 2aff h ASP 36 Ca -0.44 -0.02 -0.55 0.00 0.02 0.00 0.00 57.03 56.04 2aff h ASP 36 Cb 1.21 -0.11 -0.36 0.00 0.22 0.00 0.00 39.33 40.28 2aff h ASP 36 CO 0.93 0.36 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.36 2aff s ILE 37 N -5.36 1.21 -0.13 0.35 1.01 -0.25 -4.95 121.20 113.08 2aff s ILE 37 Ca -0.08 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.10 2aff s ILE 37 Cb 0.17 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 2aff s ILE 37 CO 0.73 0.40 0.08 -0.13 0.00 0.00 0.00 174.94 176.02 2aff s ARG 38 N 1.57 3.47 -0.13 2.79 0.52 -1.26 -2.01 118.95 123.89 2aff s ARG 38 Ca 0.04 -0.27 0.02 0.00 -0.52 0.00 0.00 55.73 54.99 2aff s ARG 38 Cb -0.13 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.26 2aff s ARG 38 CO -0.08 0.61 -0.20 0.42 0.02 0.00 0.00 175.30 176.07 2aff s ILE 39 N -0.57 2.35 0.00 1.52 1.01 -1.13 -4.97 121.20 119.41 2aff s ILE 39 Ca 0.11 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.86 2aff s ILE 39 Cb -0.12 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.41 2aff s ILE 39 CO 0.02 0.54 0.78 0.00 0.00 0.00 0.00 174.94 176.29 2aff n GLN 40 N 3.80 0.66 -4.39 2.79 6.02 -1.26 -4.68 117.38 120.32 2aff n GLN 40 Ca -0.19 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.46 2aff n GLN 40 Cb 0.52 -1.17 -0.11 0.00 1.02 0.00 0.00 30.24 30.50 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 3.33 0.00 1.08 1.43 -1.26 -4.99 118.68 118.27 2aff s LEU 41 Ca 0.00 -0.07 0.19 0.00 -1.03 0.00 0.00 54.13 53.23 2aff s LEU 41 Cb 0.00 -1.79 0.84 0.00 0.03 0.00 0.00 46.19 45.26 2aff s LEU 41 CO 0.00 0.21 1.62 -0.81 0.23 0.00 0.00 176.35 177.61 2aff n PRO 42 N 3.24 0.01 -0.07 1.29 -0.04 -1.26 -2.29 135.00 135.87 2aff n PRO 42 Ca -0.17 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.57 2aff n PRO 42 Cb 0.53 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.78 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 -1.49 0.20 -3.16 0.52 0.24 -1.26 -4.86 118.33 108.51 2aff n VAL 43 Ca 0.05 -0.47 -0.39 0.00 -2.04 0.00 0.00 64.34 61.49 2aff n VAL 43 Cb 0.22 0.84 -0.05 0.00 -1.47 0.00 0.00 33.84 33.38 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 -1.80 5.04 1.02 3.34 1.01 -0.97 -4.96 120.40 123.07 2aff s VAL 44 Ca 0.34 1.26 -0.12 0.00 0.00 0.00 0.00 61.98 63.46 2aff s VAL 44 Cb 0.20 -3.95 0.20 0.00 0.00 0.00 0.00 36.38 32.83 2aff s VAL 44 CO 0.30 0.32 1.08 -0.55 0.00 0.00 0.00 175.10 176.25 2aff s SER 45 N 0.44 2.36 0.14 3.32 0.15 -1.26 -4.48 113.70 114.36 2aff s SER 45 Ca 0.33 1.45 -0.16 0.00 0.70 0.00 0.00 55.95 58.26 2aff s SER 45 Cb -0.17 -2.13 -0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2aff s SER 45 CO 0.16 -3.33 1.75 0.11 1.20 0.00 0.00 173.24 173.13 2aff h LYS 46 N -2.03 0.53 0.00 5.44 1.57 -1.94 -1.59 116.57 118.56 2aff h LYS 46 Ca -0.54 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2aff h LYS 46 Cb 1.31 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2aff h LYS 46 CO 0.53 0.42 -0.89 1.04 -0.57 0.00 0.00 179.45 179.98 2aff n GLN 47 N -4.76 2.16 0.00 3.15 6.02 -1.26 -2.49 117.38 120.21 2aff n GLN 47 Ca -0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 2aff n GLN 47 Cb 0.07 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.31 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 -1.49 0.00 -4.57 1.08 -0.00 -1.16 -3.98 115.22 105.10 2aff n HIS 48 Ca -0.00 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.95 2aff n HIS 48 Cb 0.15 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.86 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 0.25 2.03 -0.08 0.00 2.20 -0.67 0.61 119.74 124.07 2aff s LYS 50 Ca -0.06 -0.60 0.03 0.00 -0.36 0.00 0.00 55.97 54.99 2aff s LYS 50 Cb -0.11 -1.66 -0.02 0.00 -1.51 0.00 0.00 37.83 34.53 2aff s LYS 50 CO 0.02 0.15 -0.18 0.42 -0.36 0.00 0.00 175.35 175.40 2aff s ILE 51 N 0.33 2.66 -0.17 5.43 1.01 0.12 0.66 121.20 131.23 2aff s ILE 51 Ca -0.11 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.71 2aff s ILE 51 Cb -0.14 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.29 2aff s ILE 51 CO 0.04 0.56 -0.17 -1.61 0.00 0.00 0.00 174.94 173.76 2aff s GLU 52 N -0.09 3.12 -0.30 2.79 2.02 0.13 -1.69 118.70 124.67 2aff s GLU 52 Ca -0.04 -0.78 -0.09 0.00 0.02 0.00 0.00 54.97 54.08 2aff s GLU 52 Cb -0.14 -2.61 -0.01 0.00 0.10 0.00 0.00 34.13 31.48 2aff s GLU 52 CO 0.04 -0.09 0.13 0.42 0.02 0.00 0.00 175.26 175.78 2aff s ILE 53 N 1.04 4.45 0.03 -1.63 1.01 0.14 -1.08 121.20 125.16 2aff s ILE 53 Ca -0.01 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.24 2aff s ILE 53 Cb -0.14 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 2aff s ILE 53 CO -0.05 0.09 -0.15 -1.00 0.00 0.00 0.00 174.94 173.83 2aff s HIS 54 N 1.59 2.64 0.59 3.97 3.76 0.08 -4.87 115.29 123.04 2aff s HIS 54 Ca 0.04 -0.20 0.36 0.00 -0.15 0.00 0.00 55.06 55.11 2aff s HIS 54 Cb -0.17 -1.50 1.27 0.00 1.11 0.00 0.00 32.58 33.29 2aff s HIS 54 CO 0.05 0.28 1.44 0.93 -0.85 0.00 0.00 174.74 176.59 2aff h GLU 55 N 4.54 0.00 0.13 1.40 4.39 -2.01 0.26 114.58 123.29 2aff h GLU 55 Ca -0.48 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 2aff h GLU 55 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2aff h GLU 55 CO 0.49 0.00 -0.06 1.96 -1.16 0.00 0.00 179.01 180.24 2aff h GLN 56 N 0.00 -0.17 0.00 2.33 1.08 -2.01 -3.49 115.11 112.84 2aff h GLN 56 Ca 0.65 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.86 2aff h GLN 56 Cb 3.16 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 30.63 2aff h GLN 56 CO -0.01 -0.12 0.00 -0.85 -0.95 0.00 0.00 178.83 176.91 2aff n GLU 57 N -2.78 0.00 -4.46 1.46 0.28 0.91 -5.16 120.64 110.89 2aff n GLU 57 Ca -0.02 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.64 2aff n GLU 57 Cb 0.07 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 32.81 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 -1.05 2.90 -0.10 -1.84 0.00 -1.26 -0.74 121.76 119.67 2aff s ALA 58 Ca 0.00 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.14 2aff s ALA 58 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.63 2aff s ALA 58 CO 0.00 0.18 -0.23 0.42 0.00 0.00 0.00 175.76 176.13 2aff s ILE 59 N 0.43 2.01 -0.18 0.00 1.01 -0.24 0.17 121.20 124.39 2aff s ILE 59 Ca -0.05 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.48 2aff s ILE 59 Cb -0.15 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 2aff s ILE 59 CO 0.03 0.55 0.23 -0.22 0.00 0.00 0.00 174.94 175.53 2aff s LEU 60 N 0.34 4.21 -0.08 2.97 2.96 -0.30 -0.69 118.68 128.10 2aff s LEU 60 Ca -0.18 0.38 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 2aff s LEU 60 Cb -0.18 -2.26 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 2aff s LEU 60 CO 0.09 0.11 -0.15 -1.00 -1.32 0.00 0.00 176.35 174.08 2aff s HIS 61 N 0.55 2.71 -0.49 5.38 3.76 0.21 -2.21 115.29 125.20 2aff s HIS 61 Ca 0.13 -0.36 -0.17 0.00 -0.15 0.00 0.00 55.06 54.51 2aff s HIS 61 Cb -0.12 -1.69 0.07 0.00 1.11 0.00 0.00 32.58 31.94 2aff s HIS 61 CO 0.02 0.03 0.51 1.21 -0.85 0.00 0.00 174.74 175.66 2aff s ASN 62 N -0.34 6.18 0.01 1.40 2.47 -1.26 -1.68 114.94 121.72 2aff s ASN 62 Ca 0.03 -1.18 0.23 0.00 0.42 0.00 0.00 52.86 52.36 2aff s ASN 62 Cb -0.13 -2.23 0.18 0.00 -1.45 0.00 0.00 41.25 37.62 2aff s ASN 62 CO 0.02 -0.78 1.18 0.49 -3.72 0.00 0.00 177.10 174.30 2aff n PHE 63 N 5.65 0.03 -2.41 0.43 3.01 -0.09 -4.80 117.46 119.27 2aff n PHE 63 Ca -0.10 0.01 -0.41 0.00 1.01 0.00 0.00 57.45 57.96 2aff n PHE 63 Cb 0.44 -0.18 -0.03 0.00 -0.01 0.00 0.00 39.48 39.71 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 -3.10 6.06 0.00 4.37 0.15 -0.29 -4.62 113.70 116.27 2aff s SER 64 Ca 0.09 0.05 0.27 0.00 0.70 0.00 0.00 55.95 57.05 2aff s SER 64 Cb 0.17 -2.55 0.82 0.00 -1.71 0.00 0.00 66.02 62.75 2aff s SER 64 CO 0.77 -1.82 1.62 -1.54 1.20 0.00 0.00 173.24 173.48 2aff n SER 65 N 9.82 0.43 -0.07 5.45 3.41 -1.26 -3.35 113.62 128.05 2aff n SER 65 Ca 0.10 -0.18 -0.17 0.00 -0.26 0.00 0.00 58.87 58.36 2aff n SER 65 Cb 0.49 0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.33 1.59 -3.40 6.66 -1.04 -1.26 -4.85 114.28 110.65 2aff n THR 66 Ca 0.08 -0.65 -0.19 0.00 -2.04 0.00 0.00 64.05 61.24 2aff n THR 66 Cb 0.33 -1.38 -0.10 0.00 -1.82 0.00 0.00 70.33 67.37 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 -6.54 1.77 0.60 8.00 0.01 -1.25 -5.15 114.94 112.38 2aff s ASN 67 Ca -0.25 -1.24 -0.19 0.00 -0.71 0.00 0.00 52.86 50.47 2aff s ASN 67 Cb 0.08 0.37 -0.04 0.00 0.41 0.00 0.00 41.25 42.07 2aff s ASN 67 CO 0.71 -0.34 1.19 -2.65 -1.51 0.00 0.00 177.10 174.50 2aff n PRO 68 N 4.80 1.21 -2.28 -0.60 -0.02 -1.21 -4.69 135.00 132.20 2aff n PRO 68 Ca 0.04 0.46 -0.40 0.00 -2.02 0.00 0.00 63.50 61.58 2aff n PRO 68 Cb 0.45 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 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 -1.39 3.08 0.03 3.45 2.01 -1.26 -4.72 115.64 116.84 2aff s THR 69 Ca 0.77 1.04 -0.04 0.00 0.31 0.00 0.00 61.69 63.76 2aff s THR 69 Cb -0.41 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 2aff s THR 69 CO 0.46 0.21 0.24 -1.10 -0.69 0.00 0.00 174.62 173.73 2aff s GLN 70 N -1.84 3.51 -0.03 4.92 -0.21 -0.62 -1.16 119.66 124.24 2aff s GLN 70 Ca 0.50 -0.22 0.03 0.00 0.02 0.00 0.00 55.36 55.69 2aff s GLN 70 Cb -0.35 -3.05 0.00 0.00 1.00 0.00 0.00 33.01 30.62 2aff s GLN 70 CO 0.45 0.63 -0.11 0.54 -2.12 0.00 0.00 175.29 174.67 2aff s VAL 71 N -1.39 0.96 -0.97 1.09 0.11 0.58 0.41 120.40 121.20 2aff s VAL 71 Ca 0.30 -0.46 -0.04 0.00 -2.93 0.00 0.00 61.98 58.85 2aff s VAL 71 Cb -0.13 -0.84 0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2aff s VAL 71 CO 0.20 0.29 0.20 0.59 -3.33 0.00 0.00 175.10 173.05 2aff n ASN 72 N 3.22 -3.22 -0.70 3.54 3.02 -0.47 0.16 115.26 120.82 2aff n ASN 72 Ca -0.18 -0.01 -0.06 0.00 -0.03 0.00 0.00 54.58 54.30 2aff n ASN 72 Cb 0.54 -2.73 -0.00 0.00 -0.61 0.00 0.00 39.78 36.97 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 -0.89 0.15 2.86 7.41 0.00 -1.26 -5.04 105.19 108.41 2aff n GLY 73 Ca -0.06 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.73 0.20 0.45 1.61 0.01 0.43 -5.11 113.70 108.55 2aff s SER 74 Ca 0.00 -0.01 -0.25 0.00 1.31 0.00 0.00 55.95 57.00 2aff s SER 74 Cb 0.00 -0.07 -0.08 0.00 0.21 0.00 0.00 66.02 66.09 2aff s SER 74 CO 0.00 -0.03 1.32 0.54 0.41 0.00 0.00 173.24 175.48 2aff s VAL 75 N 0.36 2.48 -0.42 3.43 0.11 -1.26 0.21 120.40 125.31 2aff s VAL 75 Ca -0.03 0.41 -0.08 0.00 -2.93 0.00 0.00 61.98 59.34 2aff s VAL 75 Cb -0.05 -3.23 0.09 0.00 -1.53 0.00 0.00 36.38 31.66 2aff s VAL 75 CO -0.01 0.04 0.26 -0.63 -3.33 0.00 0.00 175.10 171.44 2aff s ILE 76 N -1.29 4.09 0.17 7.04 1.01 -0.31 -4.80 121.20 127.10 2aff s ILE 76 Ca 0.61 -1.55 -0.11 0.00 0.00 0.00 0.00 60.65 59.60 2aff s ILE 76 Cb -0.38 -3.57 0.06 0.00 0.01 0.00 0.00 42.46 38.59 2aff s ILE 76 CO 0.48 -0.57 1.68 0.44 0.00 0.00 0.00 174.94 176.97 2aff h ASP 77 N 8.37 0.89 -4.24 3.58 3.32 -1.94 -3.41 116.42 122.98 2aff h ASP 77 Ca -0.21 -0.23 -0.39 0.00 0.02 0.00 0.00 57.03 56.22 2aff h ASP 77 Cb 1.08 -0.23 -0.10 0.00 0.22 0.00 0.00 39.33 40.29 2aff h ASP 77 CO 0.77 0.89 -0.36 -0.62 -1.72 0.00 0.00 179.24 178.20 2aff n GLU 78 N -4.37 0.41 -1.72 3.56 1.02 -1.26 -5.00 120.64 113.28 2aff n GLU 78 Ca 0.03 -2.60 -0.39 0.00 -0.02 0.00 0.00 57.16 54.18 2aff n GLU 78 Cb 0.24 1.92 0.04 0.00 -0.02 0.00 0.00 31.44 33.62 2aff n GLU 78 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2aff n PRO 79 N -0.55 1.68 -3.86 3.49 -0.02 -1.26 -4.79 135.00 129.69 2aff n PRO 79 Ca 0.03 0.62 -0.11 0.00 -2.02 0.00 0.00 63.50 62.01 2aff n PRO 79 Cb 0.47 -2.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.34 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 -1.29 0.06 0.07 -1.45 -7.23 -0.94 -5.00 120.40 104.62 2aff s VAL 80 Ca 0.69 -0.51 -0.30 0.00 -1.81 0.00 0.00 61.98 60.05 2aff s VAL 80 Cb -0.44 -0.37 -0.05 0.00 0.56 0.00 0.00 36.38 36.08 2aff s VAL 80 CO 0.51 -0.28 1.06 -0.13 -0.31 0.00 0.00 175.10 175.95 2aff s ARG 81 N -0.99 4.55 0.16 4.82 0.52 -1.26 -1.15 118.95 125.60 2aff s ARG 81 Ca -0.11 1.58 -0.24 0.00 -0.52 0.00 0.00 55.73 56.44 2aff s ARG 81 Cb -0.06 -3.38 -0.08 0.00 0.52 0.00 0.00 34.95 31.95 2aff s ARG 81 CO 0.01 -0.04 0.75 -0.51 0.02 0.00 0.00 175.30 175.53 2aff s LEU 82 N 0.61 4.56 0.09 2.53 1.43 0.13 -4.93 118.68 123.10 2aff s LEU 82 Ca 0.53 1.59 0.06 0.00 -1.03 0.00 0.00 54.13 55.27 2aff s LEU 82 Cb -0.25 -3.29 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 2aff s LEU 82 CO 0.30 0.20 -0.15 -0.54 0.23 0.00 0.00 176.35 176.38 2aff s LYS 83 N -1.24 0.93 -0.09 1.70 1.02 -1.26 -4.48 119.74 116.32 2aff s LYS 83 Ca 0.36 -1.07 -0.35 0.00 0.02 0.00 0.00 55.97 54.93 2aff s LYS 83 Cb -0.22 -0.95 -0.12 0.00 -0.52 0.00 0.00 37.83 36.02 2aff s LYS 83 CO 0.25 0.20 1.85 1.58 -0.92 0.00 0.00 175.35 178.31 2aff n HIS 84 N 1.03 2.30 0.00 3.18 -0.00 -1.26 -0.07 115.22 120.39 2aff n HIS 84 Ca -0.19 0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 2aff n HIS 84 Cb 0.55 -2.64 0.00 0.00 -0.00 0.00 0.00 29.99 27.90 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 4.31 1.48 3.70 1.57 0.00 -0.89 -4.98 105.19 110.38 2aff n GLY 85 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2aff n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aff s ASP 86 N -1.75 6.84 -0.14 1.61 -1.08 0.90 -4.82 116.67 118.23 2aff s ASP 86 Ca 0.00 2.18 -0.06 0.00 -0.52 0.00 0.00 52.55 54.16 2aff s ASP 86 Cb 0.00 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.85 2aff s ASP 86 CO 0.00 -0.71 0.06 -0.69 0.52 0.00 0.00 175.17 174.35 2aff s VAL 87 N 2.09 4.80 -0.18 1.11 1.01 -1.26 -1.95 120.40 126.01 2aff s VAL 87 Ca 0.65 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.51 2aff s VAL 87 Cb -0.33 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2aff s VAL 87 CO 0.28 0.54 0.06 -0.63 0.00 0.00 0.00 175.10 175.35 2aff s ILE 88 N -0.30 4.75 -0.12 2.22 1.01 -0.73 -1.37 121.20 126.67 2aff s ILE 88 Ca 0.08 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.70 2aff s ILE 88 Cb -0.12 -3.14 0.02 0.00 0.01 0.00 0.00 42.46 39.22 2aff s ILE 88 CO 0.02 0.46 -0.16 -0.89 0.00 0.00 0.00 174.94 174.36 2aff s THR 89 N 0.42 1.57 -0.13 2.92 2.01 0.17 -0.05 115.64 122.55 2aff s THR 89 Ca 0.03 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 2aff s THR 89 Cb -0.13 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.93 2aff s THR 89 CO 0.00 0.46 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.67 2aff s ILE 90 N 1.03 3.42 -0.09 1.82 1.01 0.90 -1.59 121.20 127.69 2aff s ILE 90 Ca -0.05 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 2aff s ILE 90 Cb -0.15 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 2aff s ILE 90 CO -0.03 0.52 0.24 -0.38 0.00 0.00 0.00 174.94 175.30 2aff n ILE 91 N 3.32 0.00 0.00 2.92 5.41 -1.26 0.36 119.36 130.11 2aff n ILE 91 Ca -0.18 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2aff n ILE 91 Cb 0.53 -0.04 0.00 0.00 -0.71 0.00 0.00 39.64 39.42 2aff n ILE 91 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2aff n ASP 92 N 0.88 0.00 -4.22 4.38 8.00 -1.26 -5.00 116.55 119.33 2aff n ASP 92 Ca 0.06 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.29 2aff n ASP 92 Cb 0.01 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 40.95 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2aff s ARG 93 N -0.23 1.67 0.02 -1.24 1.81 1.12 -4.40 118.95 117.71 2aff s ARG 93 Ca 0.00 -0.74 -0.02 0.00 -1.72 0.00 0.00 55.73 53.25 2aff s ARG 93 Cb 0.00 -1.62 -0.02 0.00 -0.45 0.00 0.00 34.95 32.87 2aff s ARG 93 CO 0.00 0.44 0.01 0.45 -0.68 0.00 0.00 175.30 175.53 2aff s SER 94 N -0.49 0.22 -0.10 0.23 0.15 -1.26 0.31 113.70 112.75 2aff s SER 94 Ca 0.08 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.23 2aff s SER 94 Cb -0.08 0.14 0.02 0.00 -1.71 0.00 0.00 66.02 64.39 2aff s SER 94 CO -0.01 -0.37 -0.10 -0.36 1.20 0.00 0.00 173.24 173.60 2aff s PHE 95 N -1.84 1.61 0.10 3.44 0.40 0.92 -1.48 117.98 121.14 2aff s PHE 95 Ca -0.12 -0.77 -0.30 0.00 -0.60 0.00 0.00 56.93 55.14 2aff s PHE 95 Cb -0.07 -1.26 -0.05 0.00 0.51 0.00 0.00 43.02 42.15 2aff s PHE 95 CO -0.02 -0.47 0.96 0.50 0.70 0.00 0.00 175.22 176.89 2aff s ARG 96 N 1.34 4.68 -0.22 0.44 3.52 -0.82 -1.78 118.95 126.11 2aff s ARG 96 Ca -0.01 1.44 -0.15 0.00 -0.13 0.00 0.00 55.73 56.87 2aff s ARG 96 Cb -0.14 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 2aff s ARG 96 CO -0.05 0.18 0.39 -0.47 -0.81 0.00 0.00 175.30 174.54 2aff s TYR 97 N 0.11 3.33 -0.13 5.12 5.04 -0.82 -2.10 117.35 127.90 2aff s TYR 97 Ca 0.47 0.55 0.01 0.00 -2.44 0.00 0.00 57.07 55.66 2aff s TYR 97 Cb -0.23 -2.54 0.02 0.00 0.35 0.00 0.00 41.96 39.56 2aff s TYR 97 CO 0.30 -0.07 -0.15 -2.00 -1.34 0.00 0.00 175.55 172.28 2aff s GLU 98 N 1.54 2.29 -0.43 4.97 2.12 -0.63 -2.09 118.70 126.47 2aff s GLU 98 Ca 0.18 -0.57 -0.09 0.00 0.36 0.00 0.00 54.97 54.84 2aff s GLU 98 Cb -0.15 -2.03 0.08 0.00 0.26 0.00 0.00 34.13 32.29 2aff s GLU 98 CO 0.08 -0.16 0.28 1.21 -0.54 0.00 0.00 175.26 176.12 2aff s ASN 99 N 1.28 5.66 0.00 -1.70 3.84 -1.26 -1.11 114.94 121.64 2aff s ASN 99 Ca 0.00 -1.56 0.27 0.00 0.21 0.00 0.00 52.86 51.79 2aff s ASN 99 Cb -0.14 -2.00 0.86 0.00 -0.55 0.00 0.00 41.25 39.43 2aff s ASN 99 CO -0.07 -0.56 1.64 1.21 -2.79 0.00 0.00 177.10 176.53