#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 1.24 -3.46 0.52 2.02 -1.97 -3.42 112.91 107.85 2aff h THR 4 Ca 0.00 -0.83 -0.61 0.00 0.77 0.00 0.00 66.41 65.74 2aff h THR 4 Cb 0.00 1.13 -0.11 0.00 -1.74 0.00 0.00 68.15 67.43 2aff h THR 4 CO 0.00 0.28 0.29 -0.13 0.37 0.00 0.00 175.52 176.32 2aff s ARG 5 N -5.17 3.99 -0.10 6.66 0.52 -1.26 -0.63 118.95 122.95 2aff s ARG 5 Ca -0.13 0.53 0.02 0.00 -0.52 0.00 0.00 55.73 55.62 2aff s ARG 5 Cb 0.09 -3.71 0.01 0.00 0.52 0.00 0.00 34.95 31.87 2aff s ARG 5 CO 0.76 -0.58 -0.15 0.50 0.02 0.00 0.00 175.30 175.85 2aff s ARG 6 N 2.76 2.10 -0.15 3.54 3.52 -0.43 -1.86 118.95 128.44 2aff s ARG 6 Ca 0.29 -0.53 -0.03 0.00 -0.13 0.00 0.00 55.73 55.33 2aff s ARG 6 Cb -0.15 -1.78 -0.03 0.00 -1.56 0.00 0.00 34.95 31.43 2aff s ARG 6 CO 0.11 -0.04 -0.04 -1.17 -0.81 0.00 0.00 175.30 173.35 2aff s LEU 7 N 0.92 3.25 -0.19 -0.88 2.96 -0.91 -1.97 118.68 121.86 2aff s LEU 7 Ca -0.08 -0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 53.65 2aff s LEU 7 Cb -0.15 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 2aff s LEU 7 CO -0.00 0.19 0.02 -0.69 -1.32 0.00 0.00 176.35 174.55 2aff s VAL 8 N 0.23 4.25 0.33 1.68 1.01 -0.74 -0.20 120.40 126.96 2aff s VAL 8 Ca -0.03 -0.22 -0.25 0.00 0.00 0.00 0.00 61.98 61.48 2aff s VAL 8 Cb -0.14 -2.91 -0.10 0.00 0.00 0.00 0.00 36.38 33.23 2aff s VAL 8 CO 0.03 0.45 0.94 -0.89 0.00 0.00 0.00 175.10 175.62 2aff s THR 9 N 0.67 4.24 -0.05 3.92 2.01 -0.80 -1.67 115.64 123.95 2aff s THR 9 Ca 0.01 1.78 0.04 0.00 0.31 0.00 0.00 61.69 63.84 2aff s THR 9 Cb -0.14 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 2aff s THR 9 CO 0.02 0.11 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.25 2aff s ILE 10 N -1.65 2.72 0.34 1.82 1.01 -0.39 -1.89 121.20 123.16 2aff s ILE 10 Ca 0.51 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 2aff s ILE 10 Cb -0.18 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 2aff s ILE 10 CO 0.23 0.58 0.61 -0.54 0.00 0.00 0.00 174.94 175.82 2aff s LYS 11 N -0.53 3.61 0.54 2.79 1.02 0.83 -4.14 119.74 123.86 2aff s LYS 11 Ca 0.07 0.02 0.20 0.00 0.02 0.00 0.00 55.97 56.28 2aff s LYS 11 Cb -0.11 -2.58 1.42 0.00 -0.52 0.00 0.00 37.83 36.03 2aff s LYS 11 CO 0.01 0.12 2.18 0.00 -0.92 0.00 0.00 175.35 176.73 2aff h ARG 12 N 1.26 0.00 0.00 1.68 3.08 -1.88 0.40 114.38 118.92 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 0.64 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.41 2aff n SER 13 N -4.36 0.70 -0.06 7.04 3.41 -1.26 -4.87 113.62 114.21 2aff n SER 13 Ca -0.03 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 2aff n SER 13 Cb 0.09 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 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 0.57 1.28 3.22 5.00 0.00 0.14 -5.10 105.19 110.30 2aff n GLY 14 Ca 0.04 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.13 2.00 0.22 1.61 1.01 -1.23 -4.85 120.40 117.04 2aff s VAL 15 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 2aff s VAL 15 Cb 0.00 -1.73 -0.08 0.00 0.00 0.00 0.00 36.38 34.57 2aff s VAL 15 CO 0.00 0.55 1.03 -1.81 0.00 0.00 0.00 175.10 174.87 2aff s ASP 16 N 0.27 7.41 0.00 3.32 1.01 -1.26 -0.12 116.67 127.30 2aff s ASP 16 Ca -0.16 2.07 0.00 0.00 0.71 0.00 0.00 52.55 55.17 2aff s ASP 16 Cb -0.17 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.15 2aff s ASP 16 CO 0.08 -0.06 0.00 0.61 0.21 0.00 0.00 175.17 176.01 2aff n GLY 17 N 1.63 2.83 3.77 0.21 0.00 -0.79 -4.94 105.19 107.90 2aff n GLY 17 Ca -0.00 -0.25 -0.36 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 2.82 3.58 -0.14 1.61 0.04 -1.26 -4.69 135.00 136.96 2aff s PRO 18 Ca 0.00 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.72 2aff s PRO 18 Cb 0.00 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 2aff s PRO 18 CO 0.00 -0.68 -0.09 -3.38 0.04 0.00 0.00 177.00 172.89 2aff s HIS 19 N -1.65 2.90 -0.41 0.56 -3.43 -1.26 -1.90 115.29 110.10 2aff s HIS 19 Ca 0.68 -0.48 -0.09 0.00 -0.80 0.00 0.00 55.06 54.37 2aff s HIS 19 Cb -0.26 -1.89 0.07 0.00 -1.43 0.00 0.00 32.58 29.08 2aff s HIS 19 CO 0.31 -0.12 0.24 0.12 -2.00 0.00 0.00 174.74 173.29 2aff s PHE 20 N 0.32 3.33 0.18 0.38 5.36 0.72 -4.90 117.98 123.37 2aff s PHE 20 Ca -0.08 -1.52 -0.30 0.00 -0.96 0.00 0.00 56.93 54.08 2aff s PHE 20 Cb -0.15 -2.88 -0.08 0.00 -0.34 0.00 0.00 43.02 39.57 2aff s PHE 20 CO 0.04 -0.83 1.19 -1.25 -1.46 0.00 0.00 175.22 172.91 2aff s PRO 21 N 1.42 4.50 -0.29 10.12 0.04 -1.26 -2.14 135.00 147.39 2aff s PRO 21 Ca 0.03 1.86 -0.04 0.00 0.04 0.00 0.00 61.00 62.89 2aff s PRO 21 Cb -0.22 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.06 2aff s PRO 21 CO 0.02 -0.07 2.87 1.28 0.04 0.00 0.00 177.00 181.14 2aff n LEU 22 N 2.48 6.08 0.26 -3.56 4.77 -0.78 -4.50 117.00 121.76 2aff n LEU 22 Ca 0.04 -3.64 0.08 0.00 -0.03 0.00 0.00 56.01 52.46 2aff n LEU 22 Cb 0.45 -1.25 0.63 0.00 -2.33 0.00 0.00 43.42 40.91 2aff n LEU 22 CO 0.55 1.62 1.05 0.28 -1.33 0.00 0.00 177.39 179.56 2aff h SER 23 N 2.69 0.00 -3.92 -1.43 0.02 -1.91 -3.42 113.55 105.58 2aff h SER 23 Ca 0.31 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.75 2aff h SER 23 Cb 0.98 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.56 2aff h SER 23 CO 0.64 0.02 0.50 -0.76 -1.14 0.00 0.00 176.83 176.10 2aff s LEU 24 N -8.99 4.25 0.58 5.07 1.43 -1.26 -4.91 118.68 114.85 2aff s LEU 24 Ca -0.05 2.34 0.28 0.00 -1.03 0.00 0.00 54.13 55.66 2aff s LEU 24 Cb 0.17 -3.96 1.71 0.00 0.03 0.00 0.00 46.19 44.14 2aff s LEU 24 CO 0.67 -0.58 2.19 0.28 0.23 0.00 0.00 176.35 179.14 2aff h SER 25 N 2.83 0.00 -3.92 2.29 0.02 -1.91 -3.42 113.55 109.44 2aff h SER 25 Ca -0.48 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.21 2aff h SER 25 Cb 1.23 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.50 2aff h SER 25 CO 0.63 0.00 -0.73 -0.89 -1.14 0.00 0.00 176.83 174.70 2aff s THR 26 N -4.69 0.14 -0.10 -2.27 2.01 -1.26 -0.67 115.64 108.80 2aff s THR 26 Ca -0.05 -0.17 -0.00 0.00 0.31 0.00 0.00 61.69 61.78 2aff s THR 26 Cb 0.15 -0.14 0.02 0.00 0.01 0.00 0.00 72.50 72.54 2aff s THR 26 CO 0.56 -0.02 -0.07 0.00 -0.69 0.00 0.00 174.62 174.40 2aff s LEU 28 N 1.56 2.40 -0.22 0.00 2.96 -1.26 -0.61 118.68 123.50 2aff s LEU 28 Ca 0.02 -0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 53.35 2aff s LEU 28 Cb -0.13 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 2aff s LEU 28 CO -0.06 0.11 0.12 -0.36 -1.32 0.00 0.00 176.35 174.84 2aff s PHE 29 N 0.69 3.26 0.00 5.38 0.40 0.12 -0.48 117.98 127.35 2aff s PHE 29 Ca -0.08 0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.34 2aff s PHE 29 Cb -0.16 -2.21 0.00 0.00 0.51 0.00 0.00 43.02 41.16 2aff s PHE 29 CO 0.02 0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.38 2aff n GLY 30 N 4.15 -0.71 0.15 4.36 0.00 -0.76 -2.64 105.19 109.75 2aff n GLY 30 Ca -0.16 -1.10 -0.06 0.00 0.00 0.00 0.00 46.02 44.70 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 0.22 -6.47 1.61 3.08 -1.58 -3.21 114.38 108.03 2aff h ARG 31 Ca 0.00 -0.18 -0.59 0.00 0.07 0.00 0.00 59.98 59.28 2aff h ARG 31 Cb 0.00 0.04 0.15 0.00 0.08 0.00 0.00 29.97 30.24 2aff h ARG 31 CO 0.00 0.83 -0.27 0.41 -1.07 0.00 0.00 179.97 179.87 2aff n GLY 32 N 0.47 -1.20 0.28 0.04 0.00 -1.25 -4.85 105.19 98.68 2aff n GLY 32 Ca -0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 0.72 1.27 0.00 -0.61 6.09 -1.94 -2.24 117.51 120.80 2aff h ILE 33 Ca -0.43 -1.22 0.00 0.00 -1.37 0.00 0.00 64.86 61.83 2aff h ILE 33 Cb 1.39 0.98 0.00 0.00 0.47 0.00 0.00 36.82 39.66 2aff h ILE 33 CO 0.51 0.43 0.11 -0.08 -3.07 0.00 0.00 178.15 176.05 2aff h GLU 34 N 0.86 0.00 -6.65 2.19 4.57 -1.96 -3.42 114.58 110.16 2aff h GLU 34 Ca 0.14 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.80 2aff h GLU 34 Cb 0.64 0.00 0.06 0.00 -0.16 0.00 0.00 28.75 29.29 2aff h GLU 34 CO 0.04 0.00 1.01 0.00 -1.18 0.00 0.00 179.01 178.88 2aff h ASP 36 N 6.77 0.57 -3.21 0.00 3.32 -1.04 -3.38 116.42 119.45 2aff h ASP 36 Ca -0.43 -0.06 -0.62 0.00 0.02 0.00 0.00 57.03 55.94 2aff h ASP 36 Cb 1.20 -0.15 -0.36 0.00 0.22 0.00 0.00 39.33 40.25 2aff h ASP 36 CO 0.96 0.51 -0.83 -0.63 -1.72 0.00 0.00 179.24 177.52 2aff s ILE 37 N -5.33 1.70 -0.13 0.35 1.01 -0.53 -4.96 121.20 113.31 2aff s ILE 37 Ca -0.09 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 59.70 2aff s ILE 37 Cb 0.17 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 2aff s ILE 37 CO 0.76 0.38 0.05 -0.13 0.00 0.00 0.00 174.94 176.00 2aff s ARG 38 N 1.42 3.44 -0.11 2.79 0.52 -1.26 -1.82 118.95 123.92 2aff s ARG 38 Ca 0.03 -0.33 0.02 0.00 -0.52 0.00 0.00 55.73 54.93 2aff s ARG 38 Cb -0.14 -3.02 -0.01 0.00 0.52 0.00 0.00 34.95 32.31 2aff s ARG 38 CO -0.10 0.56 -0.19 0.42 0.02 0.00 0.00 175.30 176.00 2aff s ILE 39 N -0.45 2.47 -0.15 1.52 1.01 -1.21 -4.98 121.20 119.42 2aff s ILE 39 Ca 0.09 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2aff s ILE 39 Cb -0.12 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.36 2aff s ILE 39 CO 0.02 0.54 0.62 0.00 0.00 0.00 0.00 174.94 176.12 2aff n GLN 40 N 3.54 0.67 -3.90 2.79 6.02 -1.26 -4.64 117.38 120.60 2aff n GLN 40 Ca -0.19 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.45 2aff n GLN 40 Cb 0.53 -1.19 -0.10 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 3.84 0.00 1.08 1.43 -1.26 -4.98 118.68 118.80 2aff s LEU 41 Ca 0.00 0.06 0.19 0.00 -1.03 0.00 0.00 54.13 53.35 2aff s LEU 41 Cb 0.00 -1.99 0.91 0.00 0.03 0.00 0.00 46.19 45.14 2aff s LEU 41 CO 0.00 0.13 1.60 -0.81 0.23 0.00 0.00 176.35 177.50 2aff n PRO 42 N 3.83 0.16 -0.17 1.29 -0.04 -1.26 -2.41 135.00 136.41 2aff n PRO 42 Ca -0.16 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.55 2aff n PRO 42 Cb 0.52 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.37 0.44 -3.18 0.52 0.24 -1.26 -4.91 118.33 108.81 2aff n VAL 43 Ca 0.07 -0.69 -0.39 0.00 -2.04 0.00 0.00 64.34 61.29 2aff n VAL 43 Cb 0.18 0.94 -0.06 0.00 -1.47 0.00 0.00 33.84 33.44 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 -1.56 4.89 0.97 3.34 1.01 -1.01 -4.94 120.40 123.10 2aff s VAL 44 Ca 0.38 1.29 -0.12 0.00 0.00 0.00 0.00 61.98 63.52 2aff s VAL 44 Cb 0.22 -3.95 0.17 0.00 0.00 0.00 0.00 36.38 32.82 2aff s VAL 44 CO 0.31 0.41 1.10 -0.44 0.00 0.00 0.00 175.10 176.48 2aff s SER 45 N -0.15 2.92 0.16 3.32 0.01 -1.26 -4.49 113.70 114.21 2aff s SER 45 Ca 0.32 1.22 -0.13 0.00 1.31 0.00 0.00 55.95 58.66 2aff s SER 45 Cb -0.18 -1.88 0.05 0.00 0.21 0.00 0.00 66.02 64.21 2aff s SER 45 CO 0.18 -2.95 1.72 0.11 0.41 0.00 0.00 173.24 172.71 2aff h LYS 46 N -1.77 0.77 0.00 12.44 1.57 -1.95 -2.63 116.57 125.01 2aff h LYS 46 Ca -0.53 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.07 2aff h LYS 46 Cb 1.32 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2aff h LYS 46 CO 0.58 0.66 -1.34 1.04 -0.57 0.00 0.00 179.45 179.81 2aff n GLN 47 N -4.55 1.63 0.00 3.15 6.02 -1.26 -3.77 117.38 118.59 2aff n GLN 47 Ca 0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2aff n GLN 47 Cb 0.14 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.25 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 -1.97 0.00 -4.71 1.08 -0.00 -1.21 -3.93 115.22 104.48 2aff n HIS 48 Ca -0.05 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.87 2aff n HIS 48 Cb 0.43 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.14 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 0.33 1.56 -0.10 0.00 2.20 -0.75 0.11 119.74 123.09 2aff s LYS 50 Ca -0.09 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.11 2aff s LYS 50 Cb -0.13 -1.33 -0.01 0.00 -1.51 0.00 0.00 37.83 34.85 2aff s LYS 50 CO 0.03 0.10 -0.19 0.42 -0.36 0.00 0.00 175.35 175.35 2aff s ILE 51 N 0.42 2.54 -0.14 5.43 1.01 0.22 0.57 121.20 131.25 2aff s ILE 51 Ca -0.10 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.69 2aff s ILE 51 Cb -0.13 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.32 2aff s ILE 51 CO 0.03 0.55 -0.13 -1.61 0.00 0.00 0.00 174.94 173.78 2aff s GLU 52 N 0.11 3.33 -0.38 2.79 2.02 -0.65 -1.70 118.70 124.21 2aff s GLU 52 Ca -0.09 -0.70 -0.14 0.00 0.02 0.00 0.00 54.97 54.05 2aff s GLU 52 Cb -0.15 -2.65 0.01 0.00 0.10 0.00 0.00 34.13 31.43 2aff s GLU 52 CO 0.06 0.12 0.27 0.42 0.02 0.00 0.00 175.26 176.15 2aff s ILE 53 N 0.58 5.23 -0.12 -1.63 -1.09 0.15 -2.21 121.20 122.10 2aff s ILE 53 Ca -0.08 -0.52 -0.02 0.00 -2.23 0.00 0.00 60.65 57.80 2aff s ILE 53 Cb -0.16 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 2aff s ILE 53 CO 0.03 -0.20 -0.07 -1.00 -1.23 0.00 0.00 174.94 172.47 2aff s HIS 54 N 1.69 2.95 0.52 3.97 3.76 0.50 -4.91 115.29 123.77 2aff s HIS 54 Ca 0.05 -0.28 0.43 0.00 -0.15 0.00 0.00 55.06 55.11 2aff s HIS 54 Cb -0.18 -1.86 1.64 0.00 1.11 0.00 0.00 32.58 33.29 2aff s HIS 54 CO 0.10 0.03 1.59 1.49 -0.85 0.00 0.00 174.74 177.11 2aff h GLU 55 N 6.27 0.01 0.08 1.40 4.81 -2.01 0.25 114.58 125.40 2aff h GLU 55 Ca -0.35 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2aff h GLU 55 Cb 1.19 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2aff h GLU 55 CO 0.58 0.01 -0.04 1.96 -0.73 0.00 0.00 179.01 180.79 2aff h GLN 56 N 0.01 -0.11 0.00 1.92 1.08 -2.01 -3.49 115.11 112.51 2aff h GLN 56 Ca 0.89 0.01 -0.30 0.00 -1.45 0.00 0.00 58.65 57.80 2aff h GLN 56 Cb 3.34 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 30.72 2aff h GLN 56 CO -0.17 -0.07 -0.21 0.39 -0.95 0.00 0.00 178.83 177.82 2aff n GLU 57 N -2.50 0.55 -4.20 1.46 1.02 0.88 -5.15 120.64 112.70 2aff n GLU 57 Ca -0.01 -2.63 -0.34 0.00 -0.02 0.00 0.00 57.16 54.16 2aff n GLU 57 Cb 0.04 2.41 -0.15 0.00 -0.02 0.00 0.00 31.44 33.73 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2aff s ALA 58 N -2.81 2.54 -0.07 0.62 0.00 -1.26 -0.37 121.76 120.41 2aff s ALA 58 Ca 0.29 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 51.15 2aff s ALA 58 Cb -0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 2aff s ALA 58 CO 0.20 -0.26 -0.23 0.42 0.00 0.00 0.00 175.76 175.90 2aff s ILE 59 N 1.17 2.25 -0.17 0.00 1.01 -0.94 -0.01 121.20 124.52 2aff s ILE 59 Ca 0.02 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 2aff s ILE 59 Cb -0.14 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.43 2aff s ILE 59 CO -0.05 0.56 0.21 -0.22 0.00 0.00 0.00 174.94 175.44 2aff s LEU 60 N -0.04 4.25 -0.05 2.97 2.96 0.43 -1.64 118.68 127.56 2aff s LEU 60 Ca -0.07 0.39 0.03 0.00 -0.22 0.00 0.00 54.13 54.27 2aff s LEU 60 Cb -0.15 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 2aff s LEU 60 CO 0.05 0.18 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.11 2aff s HIS 61 N 0.19 2.70 -0.47 5.38 3.76 0.19 -1.35 115.29 125.70 2aff s HIS 61 Ca 0.13 -0.18 -0.16 0.00 -0.15 0.00 0.00 55.06 54.69 2aff s HIS 61 Cb -0.12 -1.64 0.06 0.00 1.11 0.00 0.00 32.58 31.99 2aff s HIS 61 CO 0.02 0.17 0.45 1.21 -0.85 0.00 0.00 174.74 175.73 2aff s ASN 62 N -0.68 6.17 0.00 1.40 3.84 -1.26 -1.81 114.94 122.60 2aff s ASN 62 Ca 0.10 -1.13 0.22 0.00 0.21 0.00 0.00 52.86 52.26 2aff s ASN 62 Cb -0.11 -2.21 -0.17 0.00 -0.55 0.00 0.00 41.25 38.21 2aff s ASN 62 CO 0.01 -0.68 0.88 0.49 -2.79 0.00 0.00 177.10 175.00 2aff n PHE 63 N 5.47 0.03 -2.10 0.43 3.01 0.31 -4.87 117.46 119.75 2aff n PHE 63 Ca -0.10 0.01 -0.40 0.00 1.01 0.00 0.00 57.45 57.96 2aff n PHE 63 Cb 0.45 -0.15 -0.03 0.00 -0.01 0.00 0.00 39.48 39.74 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 -3.36 5.59 0.20 4.37 0.15 -0.32 -4.56 113.70 115.78 2aff s SER 64 Ca 0.05 0.56 0.23 0.00 0.70 0.00 0.00 55.95 57.49 2aff s SER 64 Cb 0.16 -2.53 0.10 0.00 -1.71 0.00 0.00 66.02 62.04 2aff s SER 64 CO 0.86 -2.08 1.15 0.77 1.20 0.00 0.00 173.24 175.14 2aff h SER 65 N 13.67 0.00 0.10 5.45 4.64 -1.91 -3.22 113.55 132.27 2aff h SER 65 Ca -0.28 -0.06 -0.27 0.00 -0.47 0.00 0.00 61.79 60.71 2aff h SER 65 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2aff h SER 65 CO 1.16 0.03 -1.41 0.74 -0.87 0.00 0.00 176.83 176.49 2aff h THR 66 N 0.00 1.00 -2.87 2.95 2.02 -2.00 -3.44 112.91 110.57 2aff h THR 66 Ca 0.00 -2.37 -0.56 0.00 0.77 0.00 0.00 66.41 64.26 2aff h THR 66 Cb 0.94 2.66 -0.40 0.00 -1.74 0.00 0.00 68.15 69.60 2aff h THR 66 CO 0.00 0.67 -0.78 0.20 0.37 0.00 0.00 175.52 175.98 2aff s ASN 67 N -6.99 3.60 0.50 4.18 0.01 -1.26 -5.14 114.94 109.85 2aff s ASN 67 Ca -0.21 -1.60 -0.23 0.00 -0.71 0.00 0.00 52.86 50.11 2aff s ASN 67 Cb 0.05 -0.54 -0.07 0.00 0.41 0.00 0.00 41.25 41.09 2aff s ASN 67 CO 0.74 -0.40 1.22 -2.65 -1.51 0.00 0.00 177.10 174.50 2aff n PRO 68 N 4.86 1.59 -2.45 -0.60 -0.02 -1.22 -4.66 135.00 132.50 2aff n PRO 68 Ca -0.01 0.58 -0.39 0.00 -2.02 0.00 0.00 63.50 61.65 2aff n PRO 68 Cb 0.41 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 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 -1.30 3.46 0.03 3.45 2.01 -1.26 -4.86 115.64 117.17 2aff s THR 69 Ca 0.68 1.37 -0.00 0.00 0.31 0.00 0.00 61.69 64.04 2aff s THR 69 Cb -0.46 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2aff s THR 69 CO 0.53 0.25 0.14 -1.10 -0.69 0.00 0.00 174.62 173.75 2aff s GLN 70 N -1.77 3.24 -0.03 4.92 -0.21 -0.97 -1.85 119.66 122.98 2aff s GLN 70 Ca 0.49 -0.47 0.04 0.00 0.02 0.00 0.00 55.36 55.44 2aff s GLN 70 Cb -0.30 -2.95 -0.00 0.00 1.00 0.00 0.00 33.01 30.76 2aff s GLN 70 CO 0.38 0.63 -0.15 0.54 -2.12 0.00 0.00 175.29 174.58 2aff s VAL 71 N -1.36 1.22 -0.85 1.09 0.11 0.65 0.05 120.40 121.31 2aff s VAL 71 Ca 0.29 -0.61 -0.03 0.00 -2.93 0.00 0.00 61.98 58.70 2aff s VAL 71 Cb -0.12 -1.05 0.02 0.00 -1.53 0.00 0.00 36.38 33.70 2aff s VAL 71 CO 0.21 0.36 0.13 0.59 -3.33 0.00 0.00 175.10 173.06 2aff n ASN 72 N 3.13 -3.03 -0.49 3.54 3.02 0.80 0.15 115.26 122.38 2aff n ASN 72 Ca -0.18 0.10 -0.05 0.00 -0.03 0.00 0.00 54.58 54.42 2aff n ASN 72 Cb 0.53 -2.60 -0.00 0.00 -0.61 0.00 0.00 39.78 37.10 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 -0.82 0.27 2.90 7.41 0.00 -1.26 -5.04 105.19 108.65 2aff n GLY 73 Ca -0.07 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.82 0.02 0.17 1.61 0.01 0.40 -5.10 113.70 107.99 2aff s SER 74 Ca 0.00 -0.05 -0.31 0.00 1.31 0.00 0.00 55.95 56.90 2aff s SER 74 Cb 0.00 0.04 -0.09 0.00 0.21 0.00 0.00 66.02 66.18 2aff s SER 74 CO 0.00 -0.05 1.39 -0.69 0.41 0.00 0.00 173.24 174.30 2aff s VAL 75 N -0.22 3.10 -0.32 3.43 1.01 -1.26 0.24 120.40 126.37 2aff s VAL 75 Ca -0.02 0.85 0.01 0.00 0.00 0.00 0.00 61.98 62.81 2aff s VAL 75 Cb -0.02 -3.54 0.10 0.00 0.00 0.00 0.00 36.38 32.92 2aff s VAL 75 CO -0.00 0.10 0.07 -0.51 0.00 0.00 0.00 175.10 174.76 2aff s ILE 76 N 0.58 1.50 -0.72 2.22 -1.16 -0.77 -4.85 121.20 117.99 2aff s ILE 76 Ca 0.61 -1.81 0.25 0.00 -0.51 0.00 0.00 60.65 59.20 2aff s ILE 76 Cb -0.38 -2.12 0.08 0.00 0.61 0.00 0.00 42.46 40.66 2aff s ILE 76 CO 0.35 -0.63 1.43 0.47 -2.81 0.00 0.00 174.94 173.75 2aff n ASP 77 N 4.58 0.65 -4.61 4.50 8.00 -1.26 -4.35 116.55 124.06 2aff n ASP 77 Ca 0.00 0.15 -0.25 0.00 0.71 0.00 0.00 54.79 55.40 2aff n ASP 77 Cb 0.42 0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 41.44 2aff n ASP 77 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2aff s GLU 78 N -3.13 2.02 0.47 -1.24 2.02 -1.26 -4.77 118.70 112.81 2aff s GLU 78 Ca 0.08 -1.80 -0.24 0.00 0.02 0.00 0.00 54.97 53.03 2aff s GLU 78 Cb 0.14 -1.87 -0.07 0.00 0.10 0.00 0.00 34.13 32.42 2aff s GLU 78 CO 0.69 0.13 1.42 -2.14 0.02 0.00 0.00 175.26 175.39 2aff s PRO 79 N -3.69 3.54 -0.00 0.39 0.02 -1.26 -4.66 135.00 129.34 2aff s PRO 79 Ca 0.34 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.77 2aff s PRO 79 Cb 0.01 -2.56 0.00 0.00 0.02 0.00 0.00 34.50 31.97 2aff s PRO 79 CO 0.19 -0.93 -0.00 0.54 -0.33 0.00 0.00 177.00 176.47 2aff s VAL 80 N -1.22 0.04 -0.01 3.83 0.11 -0.45 -4.98 120.40 117.72 2aff s VAL 80 Ca 0.64 -0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 59.37 2aff s VAL 80 Cb -0.44 -0.05 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 2aff s VAL 80 CO 0.55 0.02 1.34 -0.60 -3.33 0.00 0.00 175.10 173.07 2aff s ARG 81 N 0.05 4.31 0.19 1.54 3.52 -1.26 -0.43 118.95 126.86 2aff s ARG 81 Ca -0.00 1.88 -0.30 0.00 -0.13 0.00 0.00 55.73 57.18 2aff s ARG 81 Cb -0.01 -3.54 -0.08 0.00 -1.56 0.00 0.00 34.95 29.76 2aff s ARG 81 CO -0.00 -0.52 1.01 -0.51 -0.81 0.00 0.00 175.30 174.47 2aff s LEU 82 N 2.22 4.55 0.06 -0.88 1.43 0.98 -4.91 118.68 122.14 2aff s LEU 82 Ca 0.61 1.99 0.03 0.00 -1.03 0.00 0.00 54.13 55.73 2aff s LEU 82 Cb -0.30 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.29 2aff s LEU 82 CO 0.26 -0.05 -0.09 -0.75 0.23 0.00 0.00 176.35 175.95 2aff s LYS 83 N -0.64 0.67 -0.18 1.70 2.20 -1.26 -4.64 119.74 117.58 2aff s LYS 83 Ca 0.46 -0.95 -0.31 0.00 -0.36 0.00 0.00 55.97 54.80 2aff s LYS 83 Cb -0.27 -0.37 -0.08 0.00 -1.51 0.00 0.00 37.83 35.60 2aff s LYS 83 CO 0.33 0.05 2.12 1.58 -0.36 0.00 0.00 175.35 179.08 2aff n HIS 84 N 1.01 2.04 0.00 4.03 -0.00 -1.26 -0.94 115.22 120.09 2aff n HIS 84 Ca -0.19 -0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.46 2aff n HIS 84 Cb 0.56 -2.69 0.00 0.00 -0.00 0.00 0.00 29.99 27.86 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 5.51 0.95 3.66 1.57 0.00 -0.75 -5.01 105.19 111.12 2aff n GLY 85 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.98 6.84 -0.14 1.61 -1.08 -0.12 -4.91 116.67 117.90 2aff s ASP 86 Ca 0.00 1.03 -0.05 0.00 -0.52 0.00 0.00 52.55 53.02 2aff s ASP 86 Cb 0.00 -2.41 -0.04 0.00 -1.46 0.00 0.00 42.92 39.01 2aff s ASP 86 CO 0.00 -0.37 0.03 -0.69 0.52 0.00 0.00 175.17 174.65 2aff s VAL 87 N 2.18 4.48 -0.15 1.11 1.01 -1.26 -1.52 120.40 126.25 2aff s VAL 87 Ca 0.34 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 2aff s VAL 87 Cb -0.16 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2aff s VAL 87 CO 0.11 0.53 0.03 -0.63 0.00 0.00 0.00 175.10 175.14 2aff s ILE 88 N -0.19 4.55 -0.13 2.22 1.01 -0.31 -0.14 121.20 128.21 2aff s ILE 88 Ca 0.06 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.60 2aff s ILE 88 Cb -0.12 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.35 2aff s ILE 88 CO 0.02 0.51 -0.21 -0.89 0.00 0.00 0.00 174.94 174.37 2aff s THR 89 N 0.02 1.95 -0.15 2.92 2.01 0.11 -0.25 115.64 122.25 2aff s THR 89 Ca 0.04 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.13 2aff s THR 89 Cb -0.12 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.66 2aff s THR 89 CO 0.01 0.53 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.68 2aff s ILE 90 N 0.81 2.55 0.00 1.82 1.01 0.54 -2.30 121.20 125.64 2aff s ILE 90 Ca -0.08 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2aff s ILE 90 Cb -0.16 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.24 2aff s ILE 90 CO -0.01 0.52 0.00 -0.38 0.00 0.00 0.00 174.94 175.07 2aff n ILE 91 N 4.08 0.00 -0.99 2.92 2.08 -1.26 0.23 119.36 126.42 2aff n ILE 91 Ca -0.19 0.00 0.09 0.00 0.56 0.00 0.00 62.75 63.21 2aff n ILE 91 Cb 0.52 0.00 0.20 0.00 -0.75 0.00 0.00 39.64 39.61 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 3.72 3.20 -4.16 4.38 -0.08 -1.26 -4.99 116.55 117.37 2aff n ASP 92 Ca 0.00 -3.00 -0.21 0.00 -1.51 0.00 0.00 54.79 50.07 2aff n ASP 92 Cb 0.00 -0.48 -0.13 0.00 2.34 0.00 0.00 41.12 42.85 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2aff s ARG 93 N -2.77 1.00 0.05 -0.67 0.52 0.62 -4.26 118.95 113.43 2aff s ARG 93 Ca 0.37 -0.78 -0.02 0.00 -0.52 0.00 0.00 55.73 54.78 2aff s ARG 93 Cb 0.30 -1.02 -0.03 0.00 0.52 0.00 0.00 34.95 34.72 2aff s ARG 93 CO 0.06 0.25 0.00 -1.54 0.02 0.00 0.00 175.30 174.10 2aff s SER 94 N -1.12 0.38 -0.08 0.23 1.04 -1.26 0.20 113.70 113.09 2aff s SER 94 Ca 0.02 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 55.64 2aff s SER 94 Cb -0.08 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.26 2aff s SER 94 CO 0.01 -0.54 -0.07 -0.36 0.98 0.00 0.00 173.24 173.26 2aff s PHE 95 N -3.27 1.22 -0.01 5.02 0.08 0.66 -1.26 117.98 120.41 2aff s PHE 95 Ca 0.01 -0.49 -0.18 0.00 0.12 0.00 0.00 56.93 56.38 2aff s PHE 95 Cb 0.03 -1.01 -0.05 0.00 -0.57 0.00 0.00 43.02 41.42 2aff s PHE 95 CO -0.08 -0.35 0.51 1.03 -0.10 0.00 0.00 175.22 176.23 2aff s ARG 96 N 1.27 4.19 -0.24 0.44 0.52 -0.67 -1.17 118.95 123.29 2aff s ARG 96 Ca -0.04 0.58 -0.10 0.00 -0.52 0.00 0.00 55.73 55.65 2aff s ARG 96 Cb -0.14 -3.31 -0.05 0.00 0.52 0.00 0.00 34.95 31.97 2aff s ARG 96 CO -0.03 0.47 0.16 -0.47 0.02 0.00 0.00 175.30 175.45 2aff s TYR 97 N -0.45 3.30 -0.03 -0.53 5.04 -0.58 -1.79 117.35 122.31 2aff s TYR 97 Ca 0.27 0.20 -0.01 0.00 -2.44 0.00 0.00 57.07 55.10 2aff s TYR 97 Cb -0.17 -2.28 0.03 0.00 0.35 0.00 0.00 41.96 39.89 2aff s TYR 97 CO 0.15 0.04 0.06 -1.21 -1.34 0.00 0.00 175.55 173.25 2aff s GLU 98 N 1.12 0.01 -0.08 4.97 2.02 -0.83 -1.82 118.70 124.10 2aff s GLU 98 Ca 0.07 0.21 -0.05 0.00 0.02 0.00 0.00 54.97 55.22 2aff s GLU 98 Cb -0.14 -0.18 -0.04 0.00 0.10 0.00 0.00 34.13 33.88 2aff s GLU 98 CO 0.05 -0.13 0.13 -0.80 0.02 0.00 0.00 175.26 174.53 2aff s ASN 99 N 0.88 6.19 0.00 -0.19 0.01 -1.26 -1.31 114.94 119.27 2aff s ASN 99 Ca -0.07 0.37 0.00 0.00 -0.71 0.00 0.00 52.86 52.45 2aff s ASN 99 Cb -0.10 -1.95 0.00 0.00 0.41 0.00 0.00 41.25 39.61 2aff s ASN 99 CO -0.03 0.36 0.00 1.21 -1.51 0.00 0.00 177.10 177.13