#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 0.90 -3.48 3.45 1.35 -1.97 -3.45 112.91 109.71 2aff h THR 4 Ca 0.00 -2.55 -0.60 0.00 -0.55 0.00 0.00 66.41 62.71 2aff h THR 4 Cb 0.00 2.67 -0.11 0.00 -1.73 0.00 0.00 68.15 68.98 2aff h THR 4 CO 0.00 0.83 -0.08 -0.13 -0.25 0.00 0.00 175.52 175.89 2aff s ARG 5 N -2.58 4.17 -0.01 4.72 0.52 -1.26 0.87 118.95 125.38 2aff s ARG 5 Ca -0.15 0.35 0.04 0.00 -0.52 0.00 0.00 55.73 55.44 2aff s ARG 5 Cb 0.06 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.96 2aff s ARG 5 CO 0.83 -0.14 -0.13 1.03 0.02 0.00 0.00 175.30 176.92 2aff s ARG 6 N 1.61 1.06 -0.11 3.54 0.52 -0.95 -2.08 118.95 122.53 2aff s ARG 6 Ca 0.22 -0.45 0.02 0.00 -0.52 0.00 0.00 55.73 55.00 2aff s ARG 6 Cb -0.15 -1.02 -0.01 0.00 0.52 0.00 0.00 34.95 34.29 2aff s ARG 6 CO 0.09 0.26 -0.17 -1.17 0.02 0.00 0.00 175.30 174.34 2aff s LEU 7 N -0.26 2.52 -0.11 2.53 2.96 -0.94 -2.56 118.68 122.82 2aff s LEU 7 Ca 0.04 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2aff s LEU 7 Cb -0.05 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 2aff s LEU 7 CO -0.00 0.18 -0.08 0.68 -1.32 0.00 0.00 176.35 175.81 2aff s VAL 8 N 0.25 3.54 -0.30 1.68 -7.23 -1.04 0.11 120.40 117.42 2aff s VAL 8 Ca -0.11 -0.51 -0.16 0.00 -1.81 0.00 0.00 61.98 59.39 2aff s VAL 8 Cb -0.16 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 2aff s VAL 8 CO 0.06 0.55 0.42 -0.89 -0.31 0.00 0.00 175.10 174.93 2aff s THR 9 N -0.14 5.12 0.30 5.32 2.01 -0.99 -2.34 115.64 124.91 2aff s THR 9 Ca 0.01 0.46 -0.25 0.00 0.31 0.00 0.00 61.69 62.22 2aff s THR 9 Cb -0.13 -3.80 -0.10 0.00 0.01 0.00 0.00 72.50 68.48 2aff s THR 9 CO 0.03 0.01 0.91 -0.63 -0.69 0.00 0.00 174.62 174.25 2aff s ILE 10 N 2.17 4.27 0.45 1.82 1.01 -1.07 -2.01 121.20 127.83 2aff s ILE 10 Ca 0.16 1.75 -0.00 0.00 0.00 0.00 0.00 60.65 62.55 2aff s ILE 10 Cb -0.16 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 2aff s ILE 10 CO 0.11 0.16 0.68 -0.54 0.00 0.00 0.00 174.94 175.35 2aff s LYS 11 N -2.02 3.12 0.52 2.79 1.02 0.79 -4.69 119.74 121.27 2aff s LYS 11 Ca 0.49 -0.41 0.23 0.00 0.02 0.00 0.00 55.97 56.29 2aff s LYS 11 Cb -0.18 -2.54 1.33 0.00 -0.52 0.00 0.00 37.83 35.91 2aff s LYS 11 CO 0.23 -0.25 2.01 0.00 -0.92 0.00 0.00 175.35 176.42 2aff h ARG 12 N 0.39 0.06 0.00 1.68 3.08 -1.91 0.37 114.38 118.04 2aff h ARG 12 Ca -0.46 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2aff h ARG 12 Cb 1.25 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2aff h ARG 12 CO 0.58 0.04 0.00 -1.13 -1.07 0.00 0.00 179.97 178.39 2aff n SER 13 N -4.41 0.00 -0.14 7.04 3.41 -1.26 -4.89 113.62 113.37 2aff n SER 13 Ca 0.08 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2aff n SER 13 Cb 0.52 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aff n GLY 14 N 1.37 1.06 3.22 5.00 0.00 0.13 -5.08 105.19 110.88 2aff n GLY 14 Ca 0.11 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.27 1.90 0.18 1.61 1.01 -1.24 -4.85 120.40 116.74 2aff s VAL 15 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 2aff s VAL 15 Cb 0.00 -1.63 -0.08 0.00 0.00 0.00 0.00 36.38 34.67 2aff s VAL 15 CO 0.00 0.53 1.15 -0.62 0.00 0.00 0.00 175.10 176.16 2aff s ASP 16 N 0.05 7.16 0.00 3.32 -1.08 -1.26 -0.15 116.67 124.71 2aff s ASP 16 Ca -0.08 2.17 0.00 0.00 -0.52 0.00 0.00 52.55 54.12 2aff s ASP 16 Cb -0.15 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.71 2aff s ASP 16 CO 0.05 -0.30 0.00 0.61 0.52 0.00 0.00 175.17 176.04 2aff n GLY 17 N 2.10 2.78 3.77 2.66 0.00 -0.85 -4.93 105.19 110.71 2aff n GLY 17 Ca 0.03 -0.25 -0.39 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 2.70 4.16 -0.04 1.61 0.04 -1.26 -4.76 135.00 137.44 2aff s PRO 18 Ca 0.00 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 2aff s PRO 18 Cb 0.00 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 2aff s PRO 18 CO 0.00 -0.29 0.03 -1.01 0.04 0.00 0.00 177.00 175.77 2aff s HIS 19 N -1.27 3.19 -0.55 0.56 3.76 -1.26 -2.36 115.29 117.37 2aff s HIS 19 Ca 0.54 0.18 -0.02 0.00 -0.15 0.00 0.00 55.06 55.61 2aff s HIS 19 Cb -0.36 -1.75 0.14 0.00 1.11 0.00 0.00 32.58 31.73 2aff s HIS 19 CO 0.46 0.50 0.35 0.12 -0.85 0.00 0.00 174.74 175.33 2aff s PHE 20 N -1.03 3.45 0.13 1.40 5.36 0.31 -4.96 117.98 122.64 2aff s PHE 20 Ca 0.18 -2.67 -0.31 0.00 -0.96 0.00 0.00 56.93 53.16 2aff s PHE 20 Cb -0.12 -3.18 -0.10 0.00 -0.34 0.00 0.00 43.02 39.29 2aff s PHE 20 CO 0.07 -0.87 1.71 -2.14 -1.46 0.00 0.00 175.22 172.53 2aff s PRO 21 N 0.28 4.17 -0.49 10.12 0.02 -1.26 -2.21 135.00 145.63 2aff s PRO 21 Ca 0.14 2.47 -0.05 0.00 0.02 0.00 0.00 61.00 63.59 2aff s PRO 21 Cb -0.21 -3.43 -0.04 0.00 0.02 0.00 0.00 34.50 30.83 2aff s PRO 21 CO -0.03 -0.75 3.00 1.28 -0.33 0.00 0.00 177.00 180.17 2aff n LEU 22 N 5.07 6.42 0.30 -5.54 4.77 -0.88 -4.52 117.00 122.61 2aff n LEU 22 Ca 0.16 -3.91 0.17 0.00 -0.03 0.00 0.00 56.01 52.40 2aff n LEU 22 Cb 0.38 -1.32 0.94 0.00 -2.33 0.00 0.00 43.42 41.09 2aff n LEU 22 CO 0.64 1.78 1.10 0.77 -1.33 0.00 0.00 177.39 180.35 2aff h SER 23 N 3.30 0.00 -3.73 -1.43 4.64 -1.90 -3.41 113.55 111.02 2aff h SER 23 Ca 0.40 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.22 2aff h SER 23 Cb 0.89 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 2aff h SER 23 CO 0.80 0.03 0.41 -0.76 -0.87 0.00 0.00 176.83 176.44 2aff s LEU 24 N -7.14 4.59 0.41 5.97 1.43 -1.26 -4.93 118.68 117.74 2aff s LEU 24 Ca -0.04 2.06 0.29 0.00 -1.03 0.00 0.00 54.13 55.41 2aff s LEU 24 Cb 0.14 -3.61 1.34 0.00 0.03 0.00 0.00 46.19 44.09 2aff s LEU 24 CO 0.52 -0.00 1.87 0.77 0.23 0.00 0.00 176.35 179.74 2aff h SER 25 N 4.28 0.00 -3.74 2.29 4.64 -1.91 -3.43 113.55 115.69 2aff h SER 25 Ca -0.45 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.60 2aff h SER 25 Cb 1.21 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.01 2aff h SER 25 CO 0.68 0.00 -0.73 -0.89 -0.87 0.00 0.00 176.83 175.02 2aff s THR 26 N -3.58 0.11 -0.02 2.95 2.01 -1.26 -0.89 115.64 114.96 2aff s THR 26 Ca 0.01 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2aff s THR 26 Cb 0.09 -0.12 0.02 0.00 0.01 0.00 0.00 72.50 72.50 2aff s THR 26 CO 0.39 0.05 -0.00 0.00 -0.69 0.00 0.00 174.62 174.36 2aff s LEU 28 N 0.64 1.95 -0.05 0.00 2.96 -1.26 -0.56 118.68 122.36 2aff s LEU 28 Ca -0.06 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.39 2aff s LEU 28 Cb -0.09 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.37 2aff s LEU 28 CO -0.01 0.14 0.00 -0.36 -1.32 0.00 0.00 176.35 174.80 2aff s PHE 29 N 0.31 3.13 -5.00 5.38 0.40 0.59 -0.56 117.98 122.23 2aff s PHE 29 Ca -0.14 0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.34 2aff s PHE 29 Cb -0.16 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.63 2aff s PHE 29 CO 0.06 0.47 0.00 0.41 0.70 0.00 0.00 175.22 176.86 2aff n GLY 30 N 1.83 -2.03 0.15 4.36 0.00 -0.89 -2.47 105.19 106.13 2aff n GLY 30 Ca -0.17 -1.33 0.02 0.00 0.00 0.00 0.00 46.02 44.53 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 0.51 0.00 -6.86 1.61 3.08 -1.20 -2.60 114.38 108.93 2aff h ARG 31 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 2aff h ARG 31 Cb 0.00 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.15 2aff h ARG 31 CO 0.00 0.55 0.78 0.41 -1.07 0.00 0.00 179.97 180.64 2aff n GLY 32 N 0.60 1.17 0.27 0.04 0.00 -1.09 -4.78 105.19 101.39 2aff n GLY 32 Ca 0.00 0.37 -0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 3.06 1.27 0.00 -0.61 6.09 -1.92 -1.32 117.51 124.07 2aff h ILE 33 Ca -0.49 -1.13 0.00 0.00 -1.37 0.00 0.00 64.86 61.87 2aff h ILE 33 Cb 1.24 0.98 0.00 0.00 0.47 0.00 0.00 36.82 39.52 2aff h ILE 33 CO 0.70 0.40 0.38 -0.08 -3.07 0.00 0.00 178.15 176.48 2aff h GLU 34 N 0.77 0.00 -6.80 2.19 4.81 -1.97 -3.40 114.58 110.17 2aff h GLU 34 Ca 0.14 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.85 2aff h GLU 34 Cb 0.56 0.00 0.05 0.00 0.63 0.00 0.00 28.75 29.99 2aff h GLU 34 CO 0.03 0.00 0.65 0.00 -0.73 0.00 0.00 179.01 178.96 2aff h ASP 36 N 4.19 0.43 -3.27 0.00 3.32 -1.06 -3.39 116.42 116.65 2aff h ASP 36 Ca -0.47 -0.02 -0.55 0.00 0.02 0.00 0.00 57.03 56.00 2aff h ASP 36 Cb 1.22 -0.11 -0.35 0.00 0.22 0.00 0.00 39.33 40.31 2aff h ASP 36 CO 0.71 0.35 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.13 2aff s ILE 37 N -5.36 1.28 -0.12 0.35 1.01 -0.42 -4.96 121.20 112.98 2aff s ILE 37 Ca -0.08 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 2aff s ILE 37 Cb 0.17 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 2aff s ILE 37 CO 0.73 0.40 -0.04 -0.60 0.00 0.00 0.00 174.94 175.43 2aff s ARG 38 N 1.14 3.30 -0.11 2.79 3.52 -1.26 -2.10 118.95 126.23 2aff s ARG 38 Ca -0.05 -0.52 0.02 0.00 -0.13 0.00 0.00 55.73 55.05 2aff s ARG 38 Cb -0.14 -2.79 -0.01 0.00 -1.56 0.00 0.00 34.95 30.44 2aff s ARG 38 CO -0.03 0.43 -0.18 0.42 -0.81 0.00 0.00 175.30 175.13 2aff s ILE 39 N -0.15 2.66 -0.40 4.11 1.01 -0.98 -4.96 121.20 122.49 2aff s ILE 39 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2aff s ILE 39 Cb -0.13 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.27 2aff s ILE 39 CO 0.03 0.54 0.75 0.00 0.00 0.00 0.00 174.94 176.26 2aff n GLN 40 N 3.45 0.94 -3.45 2.79 6.02 -1.26 -4.42 117.38 121.46 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 -1.20 -0.08 0.00 1.02 0.00 0.00 30.24 30.51 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 4.16 0.24 1.08 1.43 -1.26 -4.96 118.68 119.37 2aff s LEU 41 Ca 0.00 0.46 0.23 0.00 -1.03 0.00 0.00 54.13 53.79 2aff s LEU 41 Cb 0.00 -2.44 0.95 0.00 0.03 0.00 0.00 46.19 44.73 2aff s LEU 41 CO 0.00 -0.03 1.70 -0.81 0.23 0.00 0.00 176.35 177.44 2aff n PRO 42 N 4.31 0.19 -0.16 1.29 -0.04 -1.26 -2.24 135.00 137.09 2aff n PRO 42 Ca -0.10 0.40 0.10 0.00 -0.04 0.00 0.00 63.50 63.86 2aff n PRO 42 Cb 0.51 -1.84 0.28 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.19 0.42 -3.85 0.52 0.24 -1.26 -4.85 118.33 107.36 2aff n VAL 43 Ca 0.02 -0.56 -0.36 0.00 -2.04 0.00 0.00 64.34 61.41 2aff n VAL 43 Cb 0.24 0.56 -0.07 0.00 -1.47 0.00 0.00 33.84 33.09 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 -1.58 5.34 1.03 3.34 1.01 -0.95 -4.89 120.40 123.69 2aff s VAL 44 Ca 0.34 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.36 2aff s VAL 44 Cb 0.19 -3.38 0.21 0.00 0.00 0.00 0.00 36.38 33.40 2aff s VAL 44 CO 0.27 0.52 1.07 -0.55 0.00 0.00 0.00 175.10 176.42 2aff s SER 45 N -0.27 2.24 0.21 3.32 0.15 -1.26 -4.52 113.70 113.56 2aff s SER 45 Ca 0.11 1.44 -0.11 0.00 0.70 0.00 0.00 55.95 58.09 2aff s SER 45 Cb -0.12 -2.14 0.15 0.00 -1.71 0.00 0.00 66.02 62.20 2aff s SER 45 CO 0.01 -3.41 1.87 0.11 1.20 0.00 0.00 173.24 173.02 2aff h LYS 46 N -2.08 0.97 0.00 5.44 1.57 -1.94 -2.36 116.57 118.18 2aff h LYS 46 Ca -0.55 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 2aff h LYS 46 Cb 1.32 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2aff h LYS 46 CO 0.53 0.65 -0.63 1.04 -0.57 0.00 0.00 179.45 180.47 2aff n GLN 47 N -4.56 3.26 0.00 3.15 6.02 -1.26 -2.68 117.38 121.31 2aff n GLN 47 Ca 0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2aff n GLN 47 Cb 0.03 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 30.30 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 -1.34 0.00 -3.87 1.08 -0.00 -1.08 -3.95 115.22 106.06 2aff n HIS 48 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.61 2aff n HIS 48 Cb 0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.03 2aff n HIS 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2aff s LYS 50 N -0.52 1.73 -0.03 0.00 2.20 -0.52 -0.30 119.74 122.30 2aff s LYS 50 Ca -0.06 -0.67 0.05 0.00 -0.36 0.00 0.00 55.97 54.94 2aff s LYS 50 Cb -0.04 -1.57 -0.01 0.00 -1.51 0.00 0.00 37.83 34.70 2aff s LYS 50 CO 0.00 0.34 -0.19 -1.50 -0.36 0.00 0.00 175.35 173.64 2aff s ILE 51 N -0.22 1.53 -0.05 5.43 2.07 0.28 0.51 121.20 130.74 2aff s ILE 51 Ca 0.02 -0.80 0.05 0.00 -1.41 0.00 0.00 60.65 58.51 2aff s ILE 51 Cb -0.10 -1.29 -0.01 0.00 0.13 0.00 0.00 42.46 41.20 2aff s ILE 51 CO 0.01 0.43 -0.21 -1.61 -1.91 0.00 0.00 174.94 171.65 2aff s GLU 52 N -0.27 2.21 -0.26 3.50 2.02 -0.31 -1.68 118.70 123.91 2aff s GLU 52 Ca 0.03 -0.77 -0.05 0.00 0.02 0.00 0.00 54.97 54.20 2aff s GLU 52 Cb -0.09 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.26 2aff s GLU 52 CO 0.01 0.31 0.03 0.42 0.02 0.00 0.00 175.26 176.04 2aff s ILE 53 N -0.05 3.71 0.00 -1.63 1.01 -0.07 -0.95 121.20 123.22 2aff s ILE 53 Ca -0.04 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.06 2aff s ILE 53 Cb -0.13 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 2aff s ILE 53 CO 0.03 0.23 -0.19 -1.00 0.00 0.00 0.00 174.94 174.01 2aff s HIS 54 N 1.49 2.55 0.61 3.97 3.76 0.46 -4.90 115.29 123.23 2aff s HIS 54 Ca 0.04 -0.26 0.25 0.00 -0.15 0.00 0.00 55.06 54.93 2aff s HIS 54 Cb -0.16 -1.52 0.86 0.00 1.11 0.00 0.00 32.58 32.87 2aff s HIS 54 CO 0.00 0.17 1.27 0.39 -0.85 0.00 0.00 174.74 175.73 2aff n GLU 55 N 1.96 0.02 0.06 1.40 -0.58 -1.26 0.44 120.64 122.68 2aff n GLU 55 Ca -0.16 1.01 -0.03 0.00 -0.42 0.00 0.00 57.16 57.56 2aff n GLU 55 Cb 0.52 -2.53 -0.01 0.00 -0.57 0.00 0.00 31.44 28.85 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 -0.17 0.00 3.49 4.15 -2.01 -3.50 115.11 117.07 2aff h GLN 56 Ca 0.47 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.90 2aff h GLN 56 Cb 2.88 0.04 0.00 0.00 0.21 0.00 0.00 27.48 30.61 2aff h GLN 56 CO -0.00 -0.11 0.00 -1.91 -1.93 0.00 0.00 178.83 174.87 2aff n GLU 57 N -2.79 0.00 -4.39 1.69 4.07 0.17 -5.15 120.64 114.24 2aff n GLU 57 Ca -0.02 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.74 2aff n GLU 57 Cb 0.07 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 31.30 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 -1.00 2.63 -0.12 4.31 0.00 -1.26 -0.40 121.76 125.92 2aff s ALA 58 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2aff s ALA 58 Cb 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 2aff s ALA 58 CO 0.00 -0.07 -0.13 0.42 0.00 0.00 0.00 175.76 175.98 2aff s ILE 59 N 0.88 3.05 -0.21 0.00 1.01 -0.13 0.12 121.20 125.92 2aff s ILE 59 Ca -0.03 -0.67 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 2aff s ILE 59 Cb -0.15 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 2aff s ILE 59 CO -0.00 0.53 0.14 -0.22 0.00 0.00 0.00 174.94 175.39 2aff s LEU 60 N 0.25 4.19 -0.08 2.97 2.96 -0.20 -1.16 118.68 127.61 2aff s LEU 60 Ca -0.09 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 2aff s LEU 60 Cb -0.15 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 2aff s LEU 60 CO 0.05 0.15 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.11 2aff s HIS 61 N 0.50 2.77 -0.45 5.38 3.76 0.18 -2.08 115.29 125.36 2aff s HIS 61 Ca 0.08 -0.29 -0.18 0.00 -0.15 0.00 0.00 55.06 54.52 2aff s HIS 61 Cb -0.12 -1.71 0.03 0.00 1.11 0.00 0.00 32.58 31.90 2aff s HIS 61 CO -0.01 0.08 0.52 1.21 -0.85 0.00 0.00 174.74 175.69 2aff s ASN 62 N -0.39 6.23 0.00 1.40 2.47 -1.26 -1.44 114.94 121.95 2aff s ASN 62 Ca 0.04 -0.69 0.22 0.00 0.42 0.00 0.00 52.86 52.86 2aff s ASN 62 Cb -0.12 -2.26 -0.08 0.00 -1.45 0.00 0.00 41.25 37.34 2aff s ASN 62 CO 0.02 -0.70 1.02 0.49 -3.72 0.00 0.00 177.10 174.21 2aff n PHE 63 N 5.85 0.00 -2.63 0.43 3.01 -0.68 -4.85 117.46 118.59 2aff n PHE 63 Ca -0.06 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.98 2aff n PHE 63 Cb 0.47 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.88 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 -2.85 6.42 0.26 4.37 0.15 0.60 -4.62 113.70 118.02 2aff s SER 64 Ca 0.11 0.00 0.22 0.00 0.70 0.00 0.00 55.95 56.99 2aff s SER 64 Cb 0.17 -2.53 0.08 0.00 -1.71 0.00 0.00 66.02 62.02 2aff s SER 64 CO 0.77 -1.45 1.18 0.77 1.20 0.00 0.00 173.24 175.71 2aff h SER 65 N 9.52 0.00 0.50 5.45 4.64 -1.89 -3.12 113.55 128.65 2aff h SER 65 Ca -0.25 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.77 2aff h SER 65 Cb 1.06 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 2aff h SER 65 CO 1.17 0.04 -1.57 0.74 -0.87 0.00 0.00 176.83 176.34 2aff h THR 66 N 0.00 1.07 -1.76 2.95 2.02 -1.99 -3.44 112.91 111.77 2aff h THR 66 Ca -0.01 -2.80 -0.27 0.00 0.77 0.00 0.00 66.41 64.10 2aff h THR 66 Cb 1.03 2.63 -0.29 0.00 -1.74 0.00 0.00 68.15 69.79 2aff h THR 66 CO 0.00 0.74 -0.61 0.20 0.37 0.00 0.00 175.52 176.23 2aff s ASN 67 N -6.66 0.60 0.61 4.18 0.01 -1.25 -5.15 114.94 107.28 2aff s ASN 67 Ca -0.08 -1.05 -0.19 0.00 -0.71 0.00 0.00 52.86 50.83 2aff s ASN 67 Cb 0.08 0.91 -0.04 0.00 0.41 0.00 0.00 41.25 42.61 2aff s ASN 67 CO 0.83 -0.29 1.09 -2.65 -1.51 0.00 0.00 177.10 174.57 2aff n PRO 68 N 4.68 1.03 -2.43 -0.60 -0.02 -1.18 -4.64 135.00 131.85 2aff n PRO 68 Ca 0.07 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.54 2aff n PRO 68 Cb 0.48 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 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 -1.45 3.54 -0.06 3.45 2.01 -1.26 -4.84 115.64 117.03 2aff s THR 69 Ca 0.77 1.41 -0.08 0.00 0.31 0.00 0.00 61.69 64.10 2aff s THR 69 Cb -0.41 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 2aff s THR 69 CO 0.46 0.28 0.23 -1.10 -0.69 0.00 0.00 174.62 173.79 2aff s GLN 70 N -0.82 3.57 -0.05 4.92 -0.21 -0.47 -2.29 119.66 124.32 2aff s GLN 70 Ca 0.49 -0.00 0.04 0.00 0.02 0.00 0.00 55.36 55.90 2aff s GLN 70 Cb -0.32 -3.17 0.00 0.00 1.00 0.00 0.00 33.01 30.52 2aff s GLN 70 CO 0.39 0.73 -0.16 0.08 -2.12 0.00 0.00 175.29 174.21 2aff s VAL 71 N -1.11 1.38 -1.22 1.09 1.01 0.29 0.20 120.40 122.05 2aff s VAL 71 Ca 0.20 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 2aff s VAL 71 Cb -0.13 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.08 2aff s VAL 71 CO 0.09 0.40 0.30 0.59 0.00 0.00 0.00 175.10 176.48 2aff n ASN 72 N 3.29 -4.08 -1.12 3.32 3.02 0.82 0.49 115.26 121.00 2aff n ASN 72 Ca -0.19 -0.13 -0.10 0.00 -0.03 0.00 0.00 54.58 54.13 2aff n ASN 72 Cb 0.53 -3.40 -0.00 0.00 -0.61 0.00 0.00 39.78 36.29 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 -0.03 2.85 7.41 0.00 -1.26 -5.03 105.19 108.06 2aff n GLY 73 Ca -0.08 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.56 0.01 0.25 1.61 0.01 0.18 -5.10 113.70 108.10 2aff s SER 74 Ca 0.00 0.06 -0.30 0.00 1.31 0.00 0.00 55.95 57.03 2aff s SER 74 Cb 0.00 0.01 -0.09 0.00 0.21 0.00 0.00 66.02 66.15 2aff s SER 74 CO 0.00 -0.07 1.29 -0.69 0.41 0.00 0.00 173.24 174.19 2aff s VAL 75 N 0.51 3.06 -0.49 3.43 1.01 -1.26 0.10 120.40 126.77 2aff s VAL 75 Ca -0.04 0.95 -0.11 0.00 0.00 0.00 0.00 61.98 62.77 2aff s VAL 75 Cb -0.06 -3.60 0.12 0.00 0.00 0.00 0.00 36.38 32.84 2aff s VAL 75 CO -0.02 0.18 0.38 0.27 0.00 0.00 0.00 175.10 175.91 2aff s ILE 76 N -0.41 4.48 0.29 2.22 -4.36 -0.97 -4.89 121.20 117.56 2aff s ILE 76 Ca 0.53 -1.68 0.01 0.00 -0.26 0.00 0.00 60.65 59.26 2aff s ILE 76 Cb -0.37 -3.91 0.11 0.00 1.25 0.00 0.00 42.46 39.54 2aff s ILE 76 CO 0.43 -0.78 1.78 0.44 0.24 0.00 0.00 174.94 177.05 2aff h ASP 77 N 8.57 0.59 -1.66 4.36 3.32 -1.94 -3.44 116.42 126.22 2aff h ASP 77 Ca -0.24 -0.15 -0.62 0.00 0.02 0.00 0.00 57.03 56.05 2aff h ASP 77 Cb 1.08 -0.16 -0.13 0.00 0.22 0.00 0.00 39.33 40.34 2aff h ASP 77 CO 0.90 0.71 -0.54 -1.83 -1.72 0.00 0.00 179.24 176.77 2aff s GLU 78 N -4.83 2.02 0.51 3.56 -1.05 -1.26 -4.98 118.70 112.68 2aff s GLU 78 Ca -0.08 -2.24 -0.23 0.00 -0.15 0.00 0.00 54.97 52.27 2aff s GLU 78 Cb 0.15 -1.22 -0.06 0.00 -0.44 0.00 0.00 34.13 32.55 2aff s GLU 78 CO 0.79 -0.32 1.35 -2.14 0.95 0.00 0.00 175.26 175.88 2aff s PRO 79 N -3.81 3.38 -0.01 -4.83 0.02 -1.26 -4.80 135.00 123.70 2aff s PRO 79 Ca 0.19 2.22 0.02 0.00 0.02 0.00 0.00 61.00 63.44 2aff s PRO 79 Cb 0.04 -2.39 -0.00 0.00 0.02 0.00 0.00 34.50 32.16 2aff s PRO 79 CO 0.10 -0.99 -0.05 0.14 -0.33 0.00 0.00 177.00 175.87 2aff s VAL 80 N -1.30 0.40 0.11 3.83 -7.23 -0.88 -5.00 120.40 110.32 2aff s VAL 80 Ca 0.67 -0.20 -0.30 0.00 -1.81 0.00 0.00 61.98 60.34 2aff s VAL 80 Cb -0.40 -0.36 -0.06 0.00 0.56 0.00 0.00 36.38 36.13 2aff s VAL 80 CO 0.48 0.12 1.09 -0.60 -0.31 0.00 0.00 175.10 175.89 2aff s ARG 81 N -0.01 4.56 0.00 4.82 3.52 -1.26 -1.03 118.95 129.55 2aff s ARG 81 Ca 0.01 1.66 -0.20 0.00 -0.13 0.00 0.00 55.73 57.06 2aff s ARG 81 Cb -0.03 -3.34 -0.06 0.00 -1.56 0.00 0.00 34.95 29.96 2aff s ARG 81 CO -0.00 -0.02 0.57 -0.51 -0.81 0.00 0.00 175.30 174.53 2aff s LEU 82 N 0.29 4.43 0.10 -0.88 1.43 0.33 -4.92 118.68 119.47 2aff s LEU 82 Ca 0.52 1.15 0.10 0.00 -1.03 0.00 0.00 54.13 54.87 2aff s LEU 82 Cb -0.27 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 2aff s LEU 82 CO 0.32 0.15 -0.25 -0.75 0.23 0.00 0.00 176.35 176.04 2aff s LYS 83 N -0.39 1.42 -0.03 1.70 2.20 -1.26 -4.28 119.74 119.11 2aff s LYS 83 Ca 0.30 -1.24 -0.35 0.00 -0.36 0.00 0.00 55.97 54.32 2aff s LYS 83 Cb -0.18 -1.79 -0.13 0.00 -1.51 0.00 0.00 37.83 34.22 2aff s LYS 83 CO 0.17 0.43 1.78 1.58 -0.36 0.00 0.00 175.35 178.95 2aff n HIS 84 N 1.17 2.27 0.00 4.03 -0.00 -1.26 -0.66 115.22 120.77 2aff n HIS 84 Ca -0.18 0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 2aff n HIS 84 Cb 0.53 -2.61 0.00 0.00 -0.00 0.00 0.00 29.99 27.91 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 4.07 2.95 3.76 1.57 0.00 -0.69 -4.99 105.19 111.86 2aff n GLY 85 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.36 6.71 -0.11 1.61 1.01 0.17 -4.80 116.67 119.90 2aff s ASP 86 Ca 0.00 2.68 -0.00 0.00 0.71 0.00 0.00 52.55 55.94 2aff s ASP 86 Cb 0.00 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 2aff s ASP 86 CO 0.00 -0.62 -0.11 -0.69 0.21 0.00 0.00 175.17 173.96 2aff s VAL 87 N -0.60 3.31 -0.19 -1.27 1.01 -1.26 -2.21 120.40 119.20 2aff s VAL 87 Ca 0.54 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 2aff s VAL 87 Cb -0.41 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 2aff s VAL 87 CO 0.49 0.54 0.16 -0.63 0.00 0.00 0.00 175.10 175.66 2aff s ILE 88 N -0.00 5.39 -0.13 2.22 1.01 -0.76 -0.13 121.20 128.80 2aff s ILE 88 Ca -0.02 0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.91 2aff s ILE 88 Cb -0.14 -3.50 0.01 0.00 0.01 0.00 0.00 42.46 38.84 2aff s ILE 88 CO 0.04 0.44 -0.19 -0.89 0.00 0.00 0.00 174.94 174.34 2aff s THR 89 N 0.29 1.80 -0.22 2.92 2.01 0.54 -0.40 115.64 122.58 2aff s THR 89 Ca 0.10 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.23 2aff s THR 89 Cb -0.11 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 2aff s THR 89 CO -0.00 0.50 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.79 2aff s ILE 90 N 0.92 3.77 0.00 1.82 1.01 0.93 -1.36 121.20 128.29 2aff s ILE 90 Ca -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.23 2aff s ILE 90 Cb -0.15 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.60 2aff s ILE 90 CO -0.02 0.40 0.00 -0.38 0.00 0.00 0.00 174.94 174.94 2aff n ILE 91 N 4.65 0.00 -0.03 2.92 5.41 -1.26 0.33 119.36 131.38 2aff n ILE 91 Ca -0.17 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.63 2aff n ILE 91 Cb 0.51 0.00 0.13 0.00 -0.71 0.00 0.00 39.64 39.57 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 1.94 2.70 -4.26 4.38 5.75 -1.26 -4.98 116.55 120.82 2aff n ASP 92 Ca 0.00 -1.88 -0.26 0.00 -0.01 0.00 0.00 54.79 52.64 2aff n ASP 92 Cb 0.00 -0.18 -0.14 0.00 -1.03 0.00 0.00 41.12 39.77 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 -0.98 1.46 0.04 0.11 0.52 0.98 -4.92 118.95 116.16 2aff s ARG 93 Ca 0.21 -0.95 0.01 0.00 -0.52 0.00 0.00 55.73 54.48 2aff s ARG 93 Cb 0.11 -1.57 -0.02 0.00 0.52 0.00 0.00 34.95 33.99 2aff s ARG 93 CO 0.15 0.40 -0.05 -1.54 0.02 0.00 0.00 175.30 174.28 2aff s SER 94 N -1.13 0.59 -0.14 0.23 1.04 -1.26 0.31 113.70 113.35 2aff s SER 94 Ca 0.08 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.94 2aff s SER 94 Cb -0.09 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.12 2aff s SER 94 CO 0.02 -0.28 -0.16 -0.36 0.98 0.00 0.00 173.24 173.44 2aff s PHE 95 N -1.66 2.20 0.01 5.02 0.40 0.47 -2.60 117.98 121.81 2aff s PHE 95 Ca -0.11 -1.17 -0.22 0.00 -0.60 0.00 0.00 56.93 54.84 2aff s PHE 95 Cb -0.08 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.81 2aff s PHE 95 CO -0.01 -0.62 0.64 1.03 0.70 0.00 0.00 175.22 176.96 2aff s ARG 96 N 1.26 4.36 -0.23 0.44 0.52 -0.99 -1.83 118.95 122.47 2aff s ARG 96 Ca 0.00 0.82 -0.11 0.00 -0.52 0.00 0.00 55.73 55.92 2aff s ARG 96 Cb -0.14 -3.34 -0.05 0.00 0.52 0.00 0.00 34.95 31.94 2aff s ARG 96 CO -0.07 0.37 0.19 -0.47 0.02 0.00 0.00 175.30 175.33 2aff s TYR 97 N -0.22 3.33 -0.08 -0.53 5.04 -0.94 -2.48 117.35 121.46 2aff s TYR 97 Ca 0.33 0.28 -0.03 0.00 -2.44 0.00 0.00 57.07 55.20 2aff s TYR 97 Cb -0.19 -2.30 0.04 0.00 0.35 0.00 0.00 41.96 39.86 2aff s TYR 97 CO 0.19 0.06 0.16 -1.21 -1.34 0.00 0.00 175.55 173.41 2aff s GLU 98 N 1.08 0.08 -0.13 4.97 2.02 -1.06 -1.70 118.70 123.96 2aff s GLU 98 Ca 0.09 0.48 -0.08 0.00 0.02 0.00 0.00 54.97 55.48 2aff s GLU 98 Cb -0.14 -0.21 -0.04 0.00 0.10 0.00 0.00 34.13 33.84 2aff s GLU 98 CO 0.05 -0.23 0.15 -0.80 0.02 0.00 0.00 175.26 174.45 2aff s ASN 99 N 1.70 6.39 0.00 -0.19 0.01 -1.26 -2.25 114.94 119.33 2aff s ASN 99 Ca -0.04 0.46 0.00 0.00 -0.71 0.00 0.00 52.86 52.58 2aff s ASN 99 Cb -0.12 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.46 2aff s ASN 99 CO -0.06 0.37 0.00 -0.62 -1.51 0.00 0.00 177.10 175.28