#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 1.59 -3.76 0.52 1.35 -1.96 -3.43 112.91 107.22 2aff h THR 4 Ca 0.00 -3.04 -0.63 0.00 -0.55 0.00 0.00 66.41 62.19 2aff h THR 4 Cb 0.00 2.72 -0.16 0.00 -1.73 0.00 0.00 68.15 68.98 2aff h THR 4 CO 0.00 0.88 -0.52 -0.13 -0.25 0.00 0.00 175.52 175.50 2aff s ARG 5 N -2.89 3.98 0.01 4.72 0.52 -1.26 -0.70 118.95 123.33 2aff s ARG 5 Ca -0.01 -0.31 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 2aff s ARG 5 Cb 0.09 -3.59 -0.01 0.00 0.52 0.00 0.00 34.95 31.97 2aff s ARG 5 CO 0.83 -0.08 -0.11 1.03 0.02 0.00 0.00 175.30 177.00 2aff s ARG 6 N 1.46 0.81 -0.16 3.54 0.52 0.10 -1.75 118.95 123.46 2aff s ARG 6 Ca 0.07 -0.48 -0.01 0.00 -0.52 0.00 0.00 55.73 54.80 2aff s ARG 6 Cb -0.15 -0.78 -0.01 0.00 0.52 0.00 0.00 34.95 34.54 2aff s ARG 6 CO 0.08 0.20 -0.12 -1.17 0.02 0.00 0.00 175.30 174.31 2aff s LEU 7 N -0.54 2.64 -0.15 2.53 2.96 -0.89 -1.40 118.68 123.83 2aff s LEU 7 Ca 0.02 -0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 53.46 2aff s LEU 7 Cb -0.05 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 2aff s LEU 7 CO 0.00 0.08 0.04 0.68 -1.32 0.00 0.00 176.35 175.83 2aff s VAL 8 N 0.85 4.62 0.30 1.68 -7.23 -0.96 0.90 120.40 120.55 2aff s VAL 8 Ca -0.04 -0.11 -0.27 0.00 -1.81 0.00 0.00 61.98 59.75 2aff s VAL 8 Cb -0.15 -3.04 -0.10 0.00 0.56 0.00 0.00 36.38 33.65 2aff s VAL 8 CO 0.00 0.51 0.95 -0.89 -0.31 0.00 0.00 175.10 175.36 2aff s THR 9 N -0.01 4.13 -0.10 5.32 2.01 -0.92 -2.23 115.64 123.85 2aff s THR 9 Ca 0.05 1.89 0.00 0.00 0.31 0.00 0.00 61.69 63.94 2aff s THR 9 Cb -0.12 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 2aff s THR 9 CO 0.01 0.26 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.49 2aff s ILE 10 N -1.46 3.51 0.40 1.82 1.01 -0.57 -1.76 121.20 124.16 2aff s ILE 10 Ca 0.47 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.54 2aff s ILE 10 Cb -0.22 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 2aff s ILE 10 CO 0.27 0.56 0.70 -0.54 0.00 0.00 0.00 174.94 175.93 2aff s LYS 11 N -0.33 3.60 0.57 2.79 1.02 0.16 -4.23 119.74 123.33 2aff s LYS 11 Ca 0.04 0.13 0.27 0.00 0.02 0.00 0.00 55.97 56.44 2aff s LYS 11 Cb -0.13 -2.48 1.60 0.00 -0.52 0.00 0.00 37.83 36.31 2aff s LYS 11 CO 0.02 -0.03 2.11 0.00 -0.92 0.00 0.00 175.35 176.54 2aff h ARG 12 N 0.84 0.00 0.00 1.68 3.08 -1.89 0.34 114.38 118.43 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 0.00 -0.03 0.43 -1.07 0.00 0.00 179.97 179.93 2aff n SER 13 N -3.96 0.44 -0.08 7.04 7.64 -1.26 -4.91 113.62 118.53 2aff n SER 13 Ca 0.02 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2aff n SER 13 Cb 0.31 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aff n GLY 14 N 1.40 1.21 3.16 0.23 0.00 0.12 -5.10 105.19 106.21 2aff n GLY 14 Ca 0.06 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.17 1.62 0.09 1.61 1.01 -1.25 -4.87 120.40 116.44 2aff s VAL 15 Ca 0.00 -0.80 -0.31 0.00 0.00 0.00 0.00 61.98 60.87 2aff s VAL 15 Cb 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 36.38 34.92 2aff s VAL 15 CO 0.00 0.46 1.27 -0.62 0.00 0.00 0.00 175.10 176.21 2aff s ASP 16 N 0.15 6.99 0.00 3.32 -1.08 -1.26 -0.66 116.67 124.12 2aff s ASP 16 Ca -0.08 2.14 0.00 0.00 -0.52 0.00 0.00 52.55 54.09 2aff s ASP 16 Cb -0.14 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 2aff s ASP 16 CO 0.04 -0.53 0.00 0.61 0.52 0.00 0.00 175.17 175.81 2aff n GLY 17 N 3.25 1.87 3.77 2.66 0.00 -0.72 -4.95 105.19 111.06 2aff n GLY 17 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 3.27 3.95 -0.10 1.61 0.04 -1.26 -4.70 135.00 137.80 2aff s PRO 18 Ca 0.00 1.78 -0.04 0.00 0.04 0.00 0.00 61.00 62.78 2aff s PRO 18 Cb 0.00 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 2aff s PRO 18 CO 0.00 -0.40 0.07 -1.01 0.04 0.00 0.00 177.00 175.70 2aff s HIS 19 N -1.49 3.36 -0.48 0.56 3.76 -1.26 -2.16 115.29 117.59 2aff s HIS 19 Ca 0.60 0.34 -0.01 0.00 -0.15 0.00 0.00 55.06 55.84 2aff s HIS 19 Cb -0.29 -1.85 0.13 0.00 1.11 0.00 0.00 32.58 31.67 2aff s HIS 19 CO 0.36 0.59 0.26 0.12 -0.85 0.00 0.00 174.74 175.23 2aff s PHE 20 N -0.97 3.52 0.13 1.40 5.36 0.26 -4.97 117.98 122.71 2aff s PHE 20 Ca 0.15 -2.65 -0.32 0.00 -0.96 0.00 0.00 56.93 53.15 2aff s PHE 20 Cb -0.12 -3.15 -0.11 0.00 -0.34 0.00 0.00 43.02 39.31 2aff s PHE 20 CO 0.04 -0.91 1.81 -2.30 -1.46 0.00 0.00 175.22 172.40 2aff n PRO 21 N 4.08 2.74 -0.99 10.12 -0.02 -1.26 -2.10 135.00 147.56 2aff n PRO 21 Ca 0.02 0.99 -0.15 0.00 -2.02 0.00 0.00 63.50 62.35 2aff n PRO 21 Cb 0.39 -2.87 -0.04 0.00 -0.02 0.00 0.00 33.50 30.96 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 5.36 5.95 0.21 2.45 4.77 -0.72 -4.44 117.00 130.58 2aff n LEU 22 Ca 0.18 -3.29 0.07 0.00 -0.03 0.00 0.00 56.01 52.94 2aff n LEU 22 Cb 0.36 -1.20 0.60 0.00 -2.33 0.00 0.00 43.42 40.85 2aff n LEU 22 CO 0.66 1.42 1.08 0.77 -1.33 0.00 0.00 177.39 179.99 2aff h SER 23 N 2.13 0.08 -3.95 -1.43 4.64 -1.90 -3.42 113.55 109.70 2aff h SER 23 Ca 0.23 -0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.05 2aff h SER 23 Cb 1.02 -0.02 0.04 0.00 -0.31 0.00 0.00 62.40 63.13 2aff h SER 23 CO 0.51 0.07 0.46 -0.76 -0.87 0.00 0.00 176.83 176.24 2aff s LEU 24 N -9.12 4.16 0.57 5.97 1.43 -1.26 -4.92 118.68 115.51 2aff s LEU 24 Ca -0.06 2.21 0.36 0.00 -1.03 0.00 0.00 54.13 55.61 2aff s LEU 24 Cb 0.17 -4.10 1.64 0.00 0.03 0.00 0.00 46.19 43.93 2aff s LEU 24 CO 0.68 -0.61 2.09 0.28 0.23 0.00 0.00 176.35 179.02 2aff h SER 25 N 2.56 0.00 -3.86 2.29 0.02 -1.89 -3.43 113.55 109.24 2aff h SER 25 Ca -0.48 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.06 2aff h SER 25 Cb 1.23 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.47 2aff h SER 25 CO 0.62 0.02 -0.78 -0.89 -1.14 0.00 0.00 176.83 174.67 2aff s THR 26 N -3.84 0.70 -0.13 -2.27 2.01 -1.26 -0.54 115.64 110.30 2aff s THR 26 Ca -0.01 -0.33 -0.00 0.00 0.31 0.00 0.00 61.69 61.65 2aff s THR 26 Cb 0.10 -0.62 0.03 0.00 0.01 0.00 0.00 72.50 72.03 2aff s THR 26 CO 0.52 0.22 -0.07 0.00 -0.69 0.00 0.00 174.62 174.60 2aff s LEU 28 N 1.69 2.67 -0.09 0.00 2.96 -1.26 -0.06 118.68 124.58 2aff s LEU 28 Ca 0.04 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.60 2aff s LEU 28 Cb -0.13 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 2aff s LEU 28 CO -0.08 0.18 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.72 2aff s PHE 29 N 0.28 3.02 -4.39 5.38 0.40 0.94 0.58 117.98 124.18 2aff s PHE 29 Ca -0.10 0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 2aff s PHE 29 Cb -0.16 -1.77 0.00 0.00 0.51 0.00 0.00 43.02 41.60 2aff s PHE 29 CO 0.06 0.31 0.00 0.41 0.70 0.00 0.00 175.22 176.70 2aff n GLY 30 N 2.42 -1.09 0.08 4.36 0.00 -0.86 -2.45 105.19 107.66 2aff n GLY 30 Ca -0.18 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 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 -6.71 1.61 3.08 -1.24 -2.75 114.38 108.37 2aff h ARG 31 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 2aff h ARG 31 Cb 0.00 0.00 0.16 0.00 0.08 0.00 0.00 29.97 30.21 2aff h ARG 31 CO 0.00 0.49 -0.02 0.41 -1.07 0.00 0.00 179.97 179.78 2aff n GLY 32 N 1.53 -0.64 0.31 0.04 0.00 -1.05 -4.89 105.19 100.49 2aff n GLY 32 Ca -0.16 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 2aff n GLY 32 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2aff h ILE 33 N 0.58 1.27 -0.02 -0.61 6.09 -1.92 -2.47 117.51 120.42 2aff h ILE 33 Ca -0.47 -1.14 0.01 0.00 -1.37 0.00 0.00 64.86 61.89 2aff h ILE 33 Cb 1.37 0.77 -0.00 0.00 0.47 0.00 0.00 36.82 39.43 2aff h ILE 33 CO 0.51 0.42 0.07 -0.33 -3.07 0.00 0.00 178.15 175.74 2aff h GLU 34 N 0.99 0.00 -6.33 2.19 4.39 -1.98 -3.42 114.58 110.42 2aff h GLU 34 Ca 0.18 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.29 2aff h GLU 34 Cb 0.54 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.22 2aff h GLU 34 CO 0.03 0.00 1.12 0.00 -1.16 0.00 0.00 179.01 179.00 2aff h ASP 36 N 9.38 0.00 -3.24 0.00 3.32 -0.13 -3.37 116.42 122.39 2aff h ASP 36 Ca -0.49 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.05 2aff h ASP 36 Cb 1.26 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.45 2aff h ASP 36 CO 0.94 0.00 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.03 2aff s ILE 37 N -4.69 0.97 -0.13 0.35 1.01 0.33 -4.93 121.20 114.11 2aff s ILE 37 Ca -0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.28 2aff s ILE 37 Cb 0.16 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 2aff s ILE 37 CO 0.57 0.35 0.03 -0.13 0.00 0.00 0.00 174.94 175.75 2aff s ARG 38 N 1.52 3.46 -0.10 2.79 0.52 -1.26 -2.03 118.95 123.85 2aff s ARG 38 Ca 0.01 -0.38 0.04 0.00 -0.52 0.00 0.00 55.73 54.88 2aff s ARG 38 Cb -0.13 -2.98 0.00 0.00 0.52 0.00 0.00 34.95 32.36 2aff s ARG 38 CO -0.06 0.50 -0.24 0.42 0.02 0.00 0.00 175.30 175.94 2aff s ILE 39 N -0.30 2.07 -0.53 1.52 1.01 -1.04 -4.97 121.20 118.96 2aff s ILE 39 Ca 0.07 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2aff s ILE 39 Cb -0.12 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.56 2aff s ILE 39 CO 0.02 0.56 0.58 0.00 0.00 0.00 0.00 174.94 176.09 2aff n GLN 40 N 3.57 0.79 -3.30 2.79 6.02 -1.26 -4.62 117.38 121.37 2aff n GLN 40 Ca -0.19 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.41 2aff n GLN 40 Cb 0.53 -1.26 -0.07 0.00 1.02 0.00 0.00 30.24 30.46 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 4.17 0.00 1.08 1.43 -1.26 -4.95 118.68 119.15 2aff s LEU 41 Ca 0.00 0.65 0.19 0.00 -1.03 0.00 0.00 54.13 53.94 2aff s LEU 41 Cb 0.00 -2.65 0.83 0.00 0.03 0.00 0.00 46.19 44.40 2aff s LEU 41 CO 0.00 -0.12 1.59 -0.81 0.23 0.00 0.00 176.35 177.24 2aff n PRO 42 N 4.50 0.07 -0.18 1.29 -0.04 -1.26 -2.42 135.00 136.95 2aff n PRO 42 Ca -0.06 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 2aff n PRO 42 Cb 0.51 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.45 0.51 -3.37 0.52 0.24 -1.26 -4.85 118.33 108.68 2aff n VAL 43 Ca 0.06 -0.76 -0.44 0.00 -2.04 0.00 0.00 64.34 61.16 2aff n VAL 43 Cb 0.20 0.97 -0.08 0.00 -1.47 0.00 0.00 33.84 33.46 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 -1.41 5.19 0.60 3.34 1.01 -1.02 -4.91 120.40 123.20 2aff s VAL 44 Ca 0.36 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 2aff s VAL 44 Cb 0.21 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 2aff s VAL 44 CO 0.30 -0.53 -0.58 -0.24 0.00 0.00 0.00 175.10 174.04 2aff n SER 45 N 5.34 -3.23 -0.08 3.32 2.88 -1.26 -4.28 113.62 116.30 2aff n SER 45 Ca -0.11 0.08 -0.09 0.00 -1.33 0.00 0.00 58.87 57.43 2aff n SER 45 Cb 0.45 -0.42 -0.01 0.00 -0.75 0.00 0.00 64.21 63.48 2aff n SER 45 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2aff h LYS 46 N -0.60 0.33 0.00 -1.46 1.57 -1.93 -3.15 116.57 111.34 2aff h LYS 46 Ca -0.26 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2aff h LYS 46 Cb 0.79 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2aff h LYS 46 CO 0.13 0.22 -0.88 1.04 -0.57 0.00 0.00 179.45 179.39 2aff n GLN 47 N -4.93 2.02 0.00 3.15 6.02 -1.26 -1.50 117.38 120.88 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 0.05 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.13 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 -1.48 0.00 -3.94 1.08 -0.00 -1.16 -4.10 115.22 105.62 2aff n HIS 48 Ca 0.01 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.07 2aff n HIS 48 Cb 0.25 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.98 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 -0.13 1.80 -0.11 0.00 2.20 -0.83 -0.04 119.74 122.62 2aff s LYS 50 Ca -0.01 -0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 55.17 2aff s LYS 50 Cb -0.01 -1.54 -0.03 0.00 -1.51 0.00 0.00 37.83 34.74 2aff s LYS 50 CO -0.00 -0.03 -0.06 0.42 -0.36 0.00 0.00 175.35 175.32 2aff s ILE 51 N 0.88 3.73 -0.12 5.43 1.01 0.91 0.09 121.20 133.13 2aff s ILE 51 Ca -0.10 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2aff s ILE 51 Cb -0.15 -2.57 -0.00 0.00 0.01 0.00 0.00 42.46 39.74 2aff s ILE 51 CO 0.01 0.55 -0.20 -1.61 0.00 0.00 0.00 174.94 173.69 2aff s GLU 52 N -0.24 3.15 -0.24 2.79 2.02 0.95 -1.67 118.70 125.47 2aff s GLU 52 Ca 0.03 -0.81 -0.04 0.00 0.02 0.00 0.00 54.97 54.18 2aff s GLU 52 Cb -0.13 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.65 2aff s GLU 52 CO 0.03 0.13 -0.02 0.42 0.02 0.00 0.00 175.26 175.83 2aff s ILE 53 N 0.50 3.38 0.04 -1.63 1.01 0.29 -0.16 121.20 124.63 2aff s ILE 53 Ca -0.13 -0.66 0.08 0.00 0.00 0.00 0.00 60.65 59.94 2aff s ILE 53 Cb -0.17 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 2aff s ILE 53 CO 0.05 0.29 -0.21 -1.00 0.00 0.00 0.00 174.94 174.07 2aff s HIS 54 N 1.45 2.47 0.59 3.97 3.76 -0.23 -4.84 115.29 122.45 2aff s HIS 54 Ca 0.04 -0.31 0.19 0.00 -0.15 0.00 0.00 55.06 54.82 2aff s HIS 54 Cb -0.15 -1.44 0.65 0.00 1.11 0.00 0.00 32.58 32.75 2aff s HIS 54 CO -0.02 0.21 1.16 0.39 -0.85 0.00 0.00 174.74 175.62 2aff n GLU 55 N 1.63 0.02 0.04 1.40 -0.58 -1.26 -0.19 120.64 121.69 2aff n GLU 55 Ca -0.16 0.95 -0.02 0.00 -0.42 0.00 0.00 57.16 57.51 2aff n GLU 55 Cb 0.52 -2.42 -0.01 0.00 -0.57 0.00 0.00 31.44 28.97 2aff n GLU 55 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2aff h GLN 56 N 0.00 -0.10 0.00 3.49 4.15 -2.01 -3.50 115.11 117.15 2aff h GLN 56 Ca 0.35 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.78 2aff h GLN 56 Cb 2.57 0.02 0.00 0.00 0.21 0.00 0.00 27.48 30.28 2aff h GLN 56 CO -0.00 -0.07 0.00 -0.85 -1.93 0.00 0.00 178.83 175.98 2aff n GLU 57 N -2.41 0.00 -4.70 1.69 0.28 0.73 -5.16 120.64 111.07 2aff n GLU 57 Ca -0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.66 2aff n GLU 57 Cb 0.04 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.77 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 -1.00 2.73 -0.09 -1.84 0.00 -1.25 -1.07 121.76 119.24 2aff s ALA 58 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.12 2aff s ALA 58 Cb 0.00 -1.26 -0.00 0.00 0.00 0.00 0.00 23.12 21.85 2aff s ALA 58 CO 0.00 0.29 -0.23 0.42 0.00 0.00 0.00 175.76 176.24 2aff s ILE 59 N 0.19 1.98 -0.18 0.00 1.01 0.77 0.21 121.20 125.18 2aff s ILE 59 Ca -0.06 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.53 2aff s ILE 59 Cb -0.15 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 2aff s ILE 59 CO 0.04 0.54 0.09 -0.22 0.00 0.00 0.00 174.94 175.40 2aff s LEU 60 N 0.27 3.99 -0.11 2.97 2.96 -0.10 -0.03 118.68 128.63 2aff s LEU 60 Ca -0.16 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 2aff s LEU 60 Cb -0.17 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 2aff s LEU 60 CO 0.08 0.21 -0.11 -1.00 -1.32 0.00 0.00 176.35 174.20 2aff s HIS 61 N 0.17 2.84 -0.46 5.38 3.76 0.11 -1.82 115.29 125.27 2aff s HIS 61 Ca 0.06 -0.39 -0.19 0.00 -0.15 0.00 0.00 55.06 54.39 2aff s HIS 61 Cb -0.12 -1.80 0.04 0.00 1.11 0.00 0.00 32.58 31.81 2aff s HIS 61 CO -0.00 -0.03 0.55 1.21 -0.85 0.00 0.00 174.74 175.62 2aff s ASN 62 N -0.03 6.23 -0.00 1.40 3.84 -1.26 -1.97 114.94 123.14 2aff s ASN 62 Ca -0.02 -0.75 0.22 0.00 0.21 0.00 0.00 52.86 52.51 2aff s ASN 62 Cb -0.14 -2.27 -0.16 0.00 -0.55 0.00 0.00 41.25 38.13 2aff s ASN 62 CO 0.04 -0.75 0.90 0.49 -2.79 0.00 0.00 177.10 174.98 2aff n PHE 63 N 5.93 0.02 -2.71 0.43 3.01 -0.82 -4.82 117.46 118.50 2aff n PHE 63 Ca -0.06 0.01 -0.42 0.00 1.01 0.00 0.00 57.45 57.98 2aff n PHE 63 Cb 0.46 -0.11 -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 -3.26 6.18 -0.03 4.37 0.15 -0.63 -4.69 113.70 115.79 2aff s SER 64 Ca 0.06 -0.70 -0.14 0.00 0.70 0.00 0.00 55.95 55.87 2aff s SER 64 Cb 0.16 -2.49 -0.32 0.00 -1.71 0.00 0.00 66.02 61.66 2aff s SER 64 CO 0.86 -1.63 0.77 0.77 1.20 0.00 0.00 173.24 175.21 2aff h SER 65 N 9.78 0.66 -0.66 5.45 4.64 -1.91 -2.72 113.55 128.78 2aff h SER 65 Ca -0.28 -0.93 -0.00 0.00 -0.47 0.00 0.00 61.79 60.11 2aff h SER 65 Cb 1.06 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 2aff h SER 65 CO 1.23 1.73 0.41 0.74 -0.87 0.00 0.00 176.83 180.07 2aff h THR 66 N 0.04 1.19 -2.61 2.95 2.02 -2.00 -3.38 112.91 111.12 2aff h THR 66 Ca -0.30 -0.39 -0.50 0.00 0.77 0.00 0.00 66.41 65.98 2aff h THR 66 Cb 2.06 0.25 -0.38 0.00 -1.74 0.00 0.00 68.15 68.34 2aff h THR 66 CO 0.19 0.19 -0.77 0.20 0.37 0.00 0.00 175.52 175.70 2aff s ASN 67 N -5.87 3.03 0.65 4.18 0.01 -1.25 -5.15 114.94 110.54 2aff s ASN 67 Ca -0.13 -1.43 -0.17 0.00 -0.71 0.00 0.00 52.86 50.43 2aff s ASN 67 Cb 0.14 -0.19 -0.01 0.00 0.41 0.00 0.00 41.25 41.60 2aff s ASN 67 CO 0.77 -0.40 1.17 -2.16 -1.51 0.00 0.00 177.10 174.97 2aff s PRO 68 N 1.88 2.73 0.58 -0.60 0.04 -1.03 -4.62 135.00 133.98 2aff s PRO 68 Ca 0.11 1.65 -0.16 0.00 0.04 0.00 0.00 61.00 62.64 2aff s PRO 68 Cb -0.17 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2aff s PRO 68 CO -0.26 -1.36 1.06 0.99 0.04 0.00 0.00 177.00 177.47 2aff s THR 69 N -1.96 3.76 -0.05 1.26 2.01 -1.26 -4.84 115.64 114.56 2aff s THR 69 Ca 0.73 0.87 0.03 0.00 0.31 0.00 0.00 61.69 63.63 2aff s THR 69 Cb -0.26 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 2aff s THR 69 CO 0.38 -0.45 -0.14 -1.10 -0.69 0.00 0.00 174.62 172.62 2aff s GLN 70 N -3.95 2.52 -0.04 4.92 -0.21 -0.57 -0.60 119.66 121.73 2aff s GLN 70 Ca 0.64 -0.69 0.04 0.00 0.02 0.00 0.00 55.36 55.37 2aff s GLN 70 Cb -0.16 -2.39 -0.00 0.00 1.00 0.00 0.00 33.01 31.45 2aff s GLN 70 CO 0.35 0.63 -0.14 0.08 -2.12 0.00 0.00 175.29 174.09 2aff s VAL 71 N -0.74 1.16 -1.23 1.09 1.01 0.58 0.23 120.40 122.49 2aff s VAL 71 Ca 0.12 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 2aff s VAL 71 Cb -0.11 -1.01 0.03 0.00 0.00 0.00 0.00 36.38 35.30 2aff s VAL 71 CO 0.01 0.34 0.28 0.59 0.00 0.00 0.00 175.10 176.32 2aff n ASN 72 N 3.22 -4.17 -0.90 3.32 3.02 -0.89 0.65 115.26 119.50 2aff n ASN 72 Ca -0.18 -0.11 -0.08 0.00 -0.03 0.00 0.00 54.58 54.17 2aff n ASN 72 Cb 0.53 -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 -1.06 0.20 2.90 7.41 0.00 -1.26 -5.03 105.19 108.35 2aff n GLY 73 Ca -0.09 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.67 -0.01 0.28 1.61 0.01 0.21 -5.10 113.70 108.03 2aff s SER 74 Ca 0.00 0.02 -0.29 0.00 1.31 0.00 0.00 55.95 56.98 2aff s SER 74 Cb 0.00 0.05 -0.10 0.00 0.21 0.00 0.00 66.02 66.18 2aff s SER 74 CO 0.00 -0.02 1.41 -0.69 0.41 0.00 0.00 173.24 174.35 2aff s VAL 75 N -0.07 2.61 -0.77 3.43 1.01 -1.26 0.21 120.40 125.56 2aff s VAL 75 Ca -0.01 0.54 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 2aff s VAL 75 Cb -0.01 -3.35 0.20 0.00 0.00 0.00 0.00 36.38 33.23 2aff s VAL 75 CO -0.00 0.10 0.67 -0.51 0.00 0.00 0.00 175.10 175.36 2aff s ILE 76 N -0.42 4.94 0.32 2.22 2.07 0.23 -4.83 121.20 125.73 2aff s ILE 76 Ca 0.56 -2.71 0.03 0.00 -1.41 0.00 0.00 60.65 57.12 2aff s ILE 76 Cb -0.42 -4.09 0.16 0.00 0.13 0.00 0.00 42.46 38.24 2aff s ILE 76 CO 0.48 -0.98 1.86 0.44 -1.91 0.00 0.00 174.94 174.83 2aff h ASP 77 N 7.44 0.57 -3.27 4.50 3.32 -1.94 -3.42 116.42 123.63 2aff h ASP 77 Ca 0.07 -0.11 -0.46 0.00 0.02 0.00 0.00 57.03 56.55 2aff h ASP 77 Cb 1.00 -0.15 -0.14 0.00 0.22 0.00 0.00 39.33 40.26 2aff h ASP 77 CO 0.74 0.62 -0.63 -1.61 -1.72 0.00 0.00 179.24 176.65 2aff s GLU 78 N -5.04 1.59 0.45 3.56 2.02 -1.26 -4.94 118.70 115.08 2aff s GLU 78 Ca -0.08 -1.86 -0.24 0.00 0.02 0.00 0.00 54.97 52.80 2aff s GLU 78 Cb 0.15 -0.89 -0.09 0.00 0.10 0.00 0.00 34.13 33.40 2aff s GLU 78 CO 0.77 -0.13 1.19 -2.30 0.02 0.00 0.00 175.26 174.81 2aff n PRO 79 N -0.63 1.67 -3.91 0.39 -0.02 -1.26 -4.82 135.00 126.42 2aff n PRO 79 Ca -0.03 0.60 -0.11 0.00 -2.02 0.00 0.00 63.50 61.94 2aff n PRO 79 Cb 0.66 -2.29 -0.13 0.00 -0.02 0.00 0.00 33.50 31.71 2aff n PRO 79 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2aff s VAL 80 N -1.25 0.05 0.13 -1.45 0.11 -0.75 -4.98 120.40 112.25 2aff s VAL 80 Ca 0.64 -0.27 -0.30 0.00 -2.93 0.00 0.00 61.98 59.11 2aff s VAL 80 Cb -0.51 -0.09 -0.07 0.00 -1.53 0.00 0.00 36.38 34.18 2aff s VAL 80 CO 0.56 -0.14 1.13 -0.13 -3.33 0.00 0.00 175.10 173.19 2aff s ARG 81 N -0.43 4.53 -0.06 1.54 0.52 -1.26 -0.92 118.95 122.86 2aff s ARG 81 Ca -0.05 1.73 -0.17 0.00 -0.52 0.00 0.00 55.73 56.72 2aff s ARG 81 Cb -0.03 -3.31 -0.05 0.00 0.52 0.00 0.00 34.95 32.08 2aff s ARG 81 CO -0.00 -0.05 0.44 -0.51 0.02 0.00 0.00 175.30 175.21 2aff s LEU 82 N 0.15 4.36 0.17 2.53 1.43 0.57 -4.91 118.68 122.99 2aff s LEU 82 Ca 0.53 0.88 0.11 0.00 -1.03 0.00 0.00 54.13 54.62 2aff s LEU 82 Cb -0.29 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 2aff s LEU 82 CO 0.33 0.15 -0.25 -0.54 0.23 0.00 0.00 176.35 176.27 2aff s LYS 83 N -0.13 1.48 -0.21 1.70 1.02 -1.26 -3.94 119.74 118.40 2aff s LYS 83 Ca 0.25 -1.47 -0.37 0.00 0.02 0.00 0.00 55.97 54.39 2aff s LYS 83 Cb -0.16 -1.85 -0.14 0.00 -0.52 0.00 0.00 37.83 35.17 2aff s LYS 83 CO 0.12 0.41 1.84 1.58 -0.92 0.00 0.00 175.35 178.38 2aff n HIS 84 N 0.45 2.13 0.00 3.18 -0.00 -1.26 0.30 115.22 120.02 2aff n HIS 84 Ca -0.14 0.29 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 2aff n HIS 84 Cb 0.55 -2.55 0.00 0.00 -0.00 0.00 0.00 29.99 27.99 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 4.50 1.71 3.72 1.57 0.00 -0.67 -4.97 105.19 111.05 2aff n GLY 85 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2aff n GLY 85 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2aff s ASP 86 N -1.74 6.84 -0.08 1.61 1.47 0.15 -4.76 116.67 120.16 2aff s ASP 86 Ca 0.00 2.34 -0.03 0.00 1.18 0.00 0.00 52.55 56.04 2aff s ASP 86 Cb 0.00 -2.59 -0.03 0.00 -0.34 0.00 0.00 42.92 39.95 2aff s ASP 86 CO 0.00 -0.62 0.04 0.54 0.68 0.00 0.00 175.17 175.81 2aff s VAL 87 N 0.85 4.59 -0.19 2.11 0.11 -1.26 -1.55 120.40 125.06 2aff s VAL 87 Ca 0.62 -0.17 -0.08 0.00 -2.93 0.00 0.00 61.98 59.42 2aff s VAL 87 Cb -0.37 -2.96 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 2aff s VAL 87 CO 0.32 0.58 0.08 -0.63 -3.33 0.00 0.00 175.10 172.13 2aff s ILE 88 N -0.94 4.90 -0.09 7.04 -1.09 0.13 -2.09 121.20 129.05 2aff s ILE 88 Ca 0.15 0.01 0.04 0.00 -2.23 0.00 0.00 60.65 58.61 2aff s ILE 88 Cb -0.12 -3.22 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 2aff s ILE 88 CO 0.04 0.44 -0.21 -0.89 -1.23 0.00 0.00 174.94 173.08 2aff s THR 89 N 0.50 1.86 -0.12 2.92 2.01 0.63 0.72 115.64 124.15 2aff s THR 89 Ca 0.04 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.15 2aff s THR 89 Cb -0.12 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 2aff s THR 89 CO 0.00 0.52 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.66 2aff s ILE 90 N 0.39 2.75 -0.37 1.82 1.01 0.81 -1.52 121.20 126.09 2aff s ILE 90 Ca -0.17 -0.77 -0.24 0.00 0.00 0.00 0.00 60.65 59.47 2aff s ILE 90 Cb -0.17 -2.13 -0.12 0.00 0.01 0.00 0.00 42.46 40.05 2aff s ILE 90 CO 0.08 0.53 1.34 -0.38 0.00 0.00 0.00 174.94 176.51 2aff n ILE 91 N 3.55 0.00 0.00 2.92 5.41 -1.26 0.31 119.36 130.29 2aff n ILE 91 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 2aff n ILE 91 Cb 0.53 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 39.16 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 4.87 0.00 -4.09 4.38 2.03 -1.26 -4.99 116.55 117.50 2aff n ASP 92 Ca 0.34 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.44 2aff n ASP 92 Cb -0.01 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.24 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 -0.19 1.05 0.06 -0.67 0.52 0.91 -4.35 118.95 116.28 2aff s ARG 93 Ca 0.00 -0.46 -0.04 0.00 -0.52 0.00 0.00 55.73 54.71 2aff s ARG 93 Cb 0.00 -1.01 -0.02 0.00 0.52 0.00 0.00 34.95 34.43 2aff s ARG 93 CO 0.00 0.27 0.05 -1.54 0.02 0.00 0.00 175.30 174.10 2aff s SER 94 N -0.29 0.32 -0.04 0.23 1.04 -1.26 0.28 113.70 114.00 2aff s SER 94 Ca 0.05 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.70 2aff s SER 94 Cb -0.05 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.31 2aff s SER 94 CO -0.00 -0.60 -0.09 -0.36 0.98 0.00 0.00 173.24 173.17 2aff s PHE 95 N -3.54 0.99 -0.08 5.02 0.40 0.22 -1.51 117.98 119.49 2aff s PHE 95 Ca 0.03 -0.28 -0.13 0.00 -0.60 0.00 0.00 56.93 55.96 2aff s PHE 95 Cb 0.05 -0.74 -0.05 0.00 0.51 0.00 0.00 43.02 42.79 2aff s PHE 95 CO -0.09 -0.15 0.31 1.03 0.70 0.00 0.00 175.22 177.03 2aff s ARG 96 N 0.41 3.91 -0.20 0.44 0.52 -0.95 0.22 118.95 123.30 2aff s ARG 96 Ca -0.07 0.19 -0.15 0.00 -0.52 0.00 0.00 55.73 55.18 2aff s ARG 96 Cb -0.11 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 2aff s ARG 96 CO 0.01 0.57 0.35 -0.47 0.02 0.00 0.00 175.30 175.78 2aff s TYR 97 N -0.58 3.37 -0.15 -0.53 5.04 -0.60 -2.27 117.35 121.64 2aff s TYR 97 Ca 0.20 0.55 0.01 0.00 -2.44 0.00 0.00 57.07 55.39 2aff s TYR 97 Cb -0.14 -2.47 0.02 0.00 0.35 0.00 0.00 41.96 39.72 2aff s TYR 97 CO 0.08 0.03 -0.18 -1.21 -1.34 0.00 0.00 175.55 172.93 2aff s GLU 98 N 1.19 2.68 -0.28 4.97 2.02 -0.49 -1.68 118.70 127.11 2aff s GLU 98 Ca 0.17 -0.72 0.02 0.00 0.02 0.00 0.00 54.97 54.46 2aff s GLU 98 Cb -0.14 -2.30 0.07 0.00 0.10 0.00 0.00 34.13 31.87 2aff s GLU 98 CO 0.07 -0.14 -0.03 1.21 0.02 0.00 0.00 175.26 176.39 2aff s ASN 99 N 1.17 4.31 0.00 -0.19 2.47 -1.26 -0.72 114.94 120.71 2aff s ASN 99 Ca -0.00 -1.56 0.06 0.00 0.42 0.00 0.00 52.86 51.78 2aff s ASN 99 Cb -0.14 -1.39 0.38 0.00 -1.45 0.00 0.00 41.25 38.65 2aff s ASN 99 CO -0.08 -0.28 0.84 -0.62 -3.72 0.00 0.00 177.10 173.25