#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aff n THR 4 N 0.00 1.66 -3.16 0.52 -2.24 -1.26 -4.87 114.28 104.94 2aff n THR 4 Ca 0.00 -0.67 -0.40 0.00 -2.27 0.00 0.00 64.05 60.71 2aff n THR 4 Cb 0.00 -1.48 -0.06 0.00 -2.10 0.00 0.00 70.33 66.69 2aff n THR 4 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2aff s ARG 5 N -2.55 4.17 -0.02 -0.78 0.52 -1.26 -0.30 118.95 118.72 2aff s ARG 5 Ca -0.22 0.52 0.03 0.00 -0.52 0.00 0.00 55.73 55.54 2aff s ARG 5 Cb 0.07 -3.60 -0.00 0.00 0.52 0.00 0.00 34.95 31.94 2aff s ARG 5 CO 0.74 -0.27 -0.12 1.03 0.02 0.00 0.00 175.30 176.70 2aff s ARG 6 N 2.04 1.06 -0.05 3.54 0.52 -0.83 -2.03 118.95 123.21 2aff s ARG 6 Ca 0.26 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 55.10 2aff s ARG 6 Cb -0.16 -1.00 -0.02 0.00 0.52 0.00 0.00 34.95 34.29 2aff s ARG 6 CO 0.10 0.21 -0.16 -0.51 0.02 0.00 0.00 175.30 174.95 2aff s LEU 7 N -0.09 2.60 -0.16 2.53 1.43 -0.83 -1.90 118.68 122.27 2aff s LEU 7 Ca 0.01 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 2aff s LEU 7 Cb -0.07 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 2aff s LEU 7 CO 0.00 0.33 -0.08 -0.69 0.23 0.00 0.00 176.35 176.14 2aff s VAL 8 N -0.65 3.37 -0.42 -1.59 1.01 -0.90 0.01 120.40 121.24 2aff s VAL 8 Ca 0.10 -0.53 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 2aff s VAL 8 Cb -0.11 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.83 2aff s VAL 8 CO 0.01 0.49 0.80 -0.89 0.00 0.00 0.00 175.10 175.51 2aff s THR 9 N 0.61 4.66 0.29 3.92 2.01 -0.69 -2.16 115.64 124.29 2aff s THR 9 Ca -0.05 0.65 -0.22 0.00 0.31 0.00 0.00 61.69 62.38 2aff s THR 9 Cb -0.15 -4.29 -0.09 0.00 0.01 0.00 0.00 72.50 67.98 2aff s THR 9 CO 0.03 -0.62 0.84 -0.63 -0.69 0.00 0.00 174.62 173.55 2aff s ILE 10 N 3.27 4.42 0.36 1.82 1.01 -0.98 -2.20 121.20 128.89 2aff s ILE 10 Ca 0.31 1.49 -0.03 0.00 0.00 0.00 0.00 60.65 62.43 2aff s ILE 10 Cb -0.12 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 2aff s ILE 10 CO 0.21 0.09 0.61 -0.54 0.00 0.00 0.00 174.94 175.30 2aff s LYS 11 N -2.22 3.55 0.60 2.79 1.02 0.49 -4.50 119.74 121.46 2aff s LYS 11 Ca 0.49 -0.09 0.31 0.00 0.02 0.00 0.00 55.97 56.69 2aff s LYS 11 Cb -0.16 -2.59 1.78 0.00 -0.52 0.00 0.00 37.83 36.34 2aff s LYS 11 CO 0.21 0.09 2.17 0.00 -0.92 0.00 0.00 175.35 176.90 2aff h ARG 12 N 0.94 0.00 0.00 1.68 3.08 -1.89 0.61 114.38 118.81 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 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2aff h ARG 12 CO 0.63 0.00 -0.05 0.43 -1.07 0.00 0.00 179.97 179.91 2aff n SER 13 N -3.71 0.05 -0.29 7.04 7.64 -1.26 -4.90 113.62 118.19 2aff n SER 13 Ca -0.01 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.30 2aff n SER 13 Cb 0.22 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 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 1.50 0.98 3.19 0.23 0.00 0.21 -5.09 105.19 106.21 2aff n GLY 14 Ca 0.07 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.58 1.71 0.01 1.61 1.01 -1.23 -4.86 120.40 116.06 2aff s VAL 15 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 2aff s VAL 15 Cb 0.00 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 2aff s VAL 15 CO 0.00 0.48 1.24 -0.62 0.00 0.00 0.00 175.10 176.20 2aff s ASP 16 N 0.01 7.02 0.00 3.32 -1.08 -1.26 -0.38 116.67 124.30 2aff s ASP 16 Ca -0.05 1.96 0.00 0.00 -0.52 0.00 0.00 52.55 53.94 2aff s ASP 16 Cb -0.13 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 2aff s ASP 16 CO 0.03 -0.56 0.00 0.61 0.52 0.00 0.00 175.17 175.77 2aff n GLY 17 N 3.36 2.37 3.78 2.66 0.00 -0.94 -4.96 105.19 111.47 2aff n GLY 17 Ca 0.11 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 3.76 0.17 1.61 0.04 -1.26 -4.75 135.00 137.84 2aff s PRO 18 Ca 0.00 1.52 0.06 0.00 0.04 0.00 0.00 61.00 62.61 2aff s PRO 18 Cb 0.00 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2aff s PRO 18 CO 0.00 -0.49 0.09 -3.38 0.04 0.00 0.00 177.00 173.26 2aff s HIS 19 N -1.80 3.05 -0.28 0.56 -3.43 -1.26 -1.70 115.29 110.43 2aff s HIS 19 Ca 0.66 -0.06 -0.01 0.00 -0.80 0.00 0.00 55.06 54.86 2aff s HIS 19 Cb -0.21 -1.47 0.09 0.00 -1.43 0.00 0.00 32.58 29.56 2aff s HIS 19 CO 0.25 0.52 0.06 0.12 -2.00 0.00 0.00 174.74 173.70 2aff s PHE 20 N -1.75 1.82 0.22 0.38 5.36 0.10 -4.96 117.98 119.16 2aff s PHE 20 Ca 0.30 -1.67 -0.30 0.00 -0.96 0.00 0.00 56.93 54.30 2aff s PHE 20 Cb -0.10 -1.65 -0.08 0.00 -0.34 0.00 0.00 43.02 40.84 2aff s PHE 20 CO 0.22 -0.82 1.00 -1.25 -1.46 0.00 0.00 175.22 172.91 2aff s PRO 21 N 1.58 4.75 -0.85 10.12 0.04 -1.26 -1.96 135.00 147.42 2aff s PRO 21 Ca 0.06 1.59 -0.04 0.00 0.04 0.00 0.00 61.00 62.65 2aff s PRO 21 Cb -0.18 -3.27 0.14 0.00 0.04 0.00 0.00 34.50 31.23 2aff s PRO 21 CO -0.18 0.34 2.45 1.28 0.04 0.00 0.00 177.00 180.93 2aff n LEU 22 N 1.73 7.22 0.25 -3.56 4.77 -0.86 -4.61 117.00 121.95 2aff n LEU 22 Ca -0.01 -4.58 0.10 0.00 -0.03 0.00 0.00 56.01 51.50 2aff n LEU 22 Cb 0.47 -1.25 0.70 0.00 -2.33 0.00 0.00 43.42 41.01 2aff n LEU 22 CO 0.52 1.88 1.09 0.77 -1.33 0.00 0.00 177.39 180.31 2aff h SER 23 N 3.66 0.00 -3.85 -1.43 4.64 -1.93 -3.41 113.55 111.22 2aff h SER 23 Ca 0.53 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.36 2aff h SER 23 Cb 0.45 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2aff h SER 23 CO 1.18 0.00 0.44 -0.76 -0.87 0.00 0.00 176.83 176.81 2aff s LEU 24 N -8.77 4.42 0.40 5.97 1.43 -1.26 -4.93 118.68 115.94 2aff s LEU 24 Ca -0.05 2.14 0.28 0.00 -1.03 0.00 0.00 54.13 55.48 2aff s LEU 24 Cb 0.17 -3.82 1.32 0.00 0.03 0.00 0.00 46.19 43.88 2aff s LEU 24 CO 0.65 -0.22 1.85 0.28 0.23 0.00 0.00 176.35 179.14 2aff h SER 25 N 3.40 0.00 -3.77 2.29 0.02 -1.91 -3.43 113.55 110.14 2aff h SER 25 Ca -0.47 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.26 2aff h SER 25 Cb 1.21 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.47 2aff h SER 25 CO 0.65 0.00 -0.70 -0.89 -1.14 0.00 0.00 176.83 174.76 2aff s THR 26 N -3.57 0.00 -0.02 -2.27 2.01 -1.26 -1.23 115.64 109.31 2aff s THR 26 Ca 0.01 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 61.99 2aff s THR 26 Cb 0.09 -0.04 0.01 0.00 0.01 0.00 0.00 72.50 72.57 2aff s THR 26 CO 0.38 -0.01 -0.03 0.00 -0.69 0.00 0.00 174.62 174.27 2aff s LEU 28 N 0.50 1.99 -0.17 0.00 2.96 -1.26 -1.08 118.68 121.61 2aff s LEU 28 Ca -0.06 -0.53 -0.08 0.00 -0.22 0.00 0.00 54.13 53.25 2aff s LEU 28 Cb -0.09 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 2aff s LEU 28 CO -0.01 0.09 0.10 -0.36 -1.32 0.00 0.00 176.35 174.86 2aff s PHE 29 N 0.66 3.36 -4.35 5.38 0.40 0.17 0.14 117.98 123.74 2aff s PHE 29 Ca -0.12 0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.46 2aff s PHE 29 Cb -0.16 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.29 2aff s PHE 29 CO 0.03 0.31 0.00 0.41 0.70 0.00 0.00 175.22 176.67 2aff n GLY 30 N 3.22 -2.42 0.10 4.36 0.00 -0.99 -1.96 105.19 107.50 2aff n GLY 30 Ca -0.17 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 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 0.12 -6.68 1.61 3.08 -1.21 -2.84 114.38 108.46 2aff h ARG 31 Ca 0.00 -0.17 -0.58 0.00 0.07 0.00 0.00 59.98 59.31 2aff h ARG 31 Cb 0.00 0.06 0.16 0.00 0.08 0.00 0.00 29.97 30.27 2aff h ARG 31 CO 0.00 0.99 -0.08 0.41 -1.07 0.00 0.00 179.97 180.22 2aff n GLY 32 N 1.12 -0.78 0.25 0.04 0.00 -0.97 -4.73 105.19 100.11 2aff n GLY 32 Ca -0.03 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 0.48 1.26 0.00 -0.61 6.09 -1.90 -1.99 117.51 120.84 2aff h ILE 33 Ca -0.47 -1.10 0.00 0.00 -1.37 0.00 0.00 64.86 61.92 2aff h ILE 33 Cb 1.38 1.02 0.00 0.00 0.47 0.00 0.00 36.82 39.69 2aff h ILE 33 CO 0.50 0.38 0.32 -0.33 -3.07 0.00 0.00 178.15 175.95 2aff h GLU 34 N 0.71 0.00 -6.37 2.19 4.39 -1.95 -3.40 114.58 110.14 2aff h GLU 34 Ca 0.13 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.30 2aff h GLU 34 Cb 0.54 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.20 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 9.50 0.00 -3.11 0.00 3.32 -0.53 -3.35 116.42 122.25 2aff h ASP 36 Ca -0.45 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 55.97 2aff h ASP 36 Cb 1.21 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.40 2aff h ASP 36 CO 0.94 0.00 -0.84 -0.63 -1.72 0.00 0.00 179.24 176.99 2aff s ILE 37 N -4.99 1.78 -0.15 0.35 1.01 -0.70 -4.95 121.20 113.54 2aff s ILE 37 Ca -0.05 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 2aff s ILE 37 Cb 0.18 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 2aff s ILE 37 CO 0.67 0.48 0.06 -0.13 0.00 0.00 0.00 174.94 176.02 2aff s ARG 38 N 1.40 3.67 -0.12 2.79 0.52 -1.26 -2.36 118.95 123.60 2aff s ARG 38 Ca 0.05 -0.33 0.02 0.00 -0.52 0.00 0.00 55.73 54.95 2aff s ARG 38 Cb -0.13 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.23 2aff s ARG 38 CO -0.12 0.44 -0.19 0.42 0.02 0.00 0.00 175.30 175.88 2aff s ILE 39 N -0.12 2.47 -0.59 1.52 1.01 -1.07 -4.99 121.20 119.43 2aff s ILE 39 Ca 0.07 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.85 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 0.01 0.54 0.63 0.00 0.00 0.00 0.00 174.94 176.13 2aff n GLN 40 N 3.59 0.90 -4.04 2.79 6.02 -1.26 -4.48 117.38 120.90 2aff n GLN 40 Ca -0.19 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.46 2aff n GLN 40 Cb 0.53 -1.29 -0.11 0.00 1.02 0.00 0.00 30.24 30.40 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 3.65 0.16 1.08 1.43 -1.26 -4.99 118.68 118.75 2aff s LEU 41 Ca 0.00 -0.00 0.21 0.00 -1.03 0.00 0.00 54.13 53.31 2aff s LEU 41 Cb 0.00 -1.93 0.87 0.00 0.03 0.00 0.00 46.19 45.16 2aff s LEU 41 CO 0.00 0.14 1.65 -0.81 0.23 0.00 0.00 176.35 177.56 2aff n PRO 42 N 3.77 0.13 0.00 1.29 -0.04 -1.26 -2.42 135.00 136.47 2aff n PRO 42 Ca -0.17 0.32 0.14 0.00 -0.04 0.00 0.00 63.50 63.76 2aff n PRO 42 Cb 0.52 -1.73 0.53 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 -1.97 0.00 -3.42 0.52 0.24 -1.26 -4.81 118.33 107.64 2aff n VAL 43 Ca 0.03 -0.16 -0.38 0.00 -2.04 0.00 0.00 64.34 61.79 2aff n VAL 43 Cb 0.24 0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 32.84 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 -2.22 5.12 0.90 3.34 1.01 -1.02 -4.85 120.40 122.68 2aff s VAL 44 Ca 0.33 0.87 -0.11 0.00 0.00 0.00 0.00 61.98 63.07 2aff s VAL 44 Cb 0.20 -3.75 0.13 0.00 0.00 0.00 0.00 36.38 32.96 2aff s VAL 44 CO 0.41 0.45 1.11 -0.44 0.00 0.00 0.00 175.10 176.63 2aff s SER 45 N -0.17 3.27 0.19 3.32 0.01 -1.26 -4.51 113.70 114.55 2aff s SER 45 Ca 0.24 1.87 -0.12 0.00 1.31 0.00 0.00 55.95 59.25 2aff s SER 45 Cb -0.16 -2.45 0.12 0.00 0.21 0.00 0.00 66.02 63.75 2aff s SER 45 CO 0.11 -2.83 1.86 0.11 0.41 0.00 0.00 173.24 172.90 2aff h LYS 46 N -1.68 0.85 0.00 12.44 1.57 -1.94 -2.42 116.57 125.39 2aff h LYS 46 Ca -0.47 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2aff h LYS 46 Cb 1.27 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2aff h LYS 46 CO 0.48 0.56 -1.23 1.04 -0.57 0.00 0.00 179.45 179.73 2aff n GLN 47 N -4.64 1.00 0.00 3.15 6.02 -1.26 -2.30 117.38 119.35 2aff n GLN 47 Ca 0.05 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2aff n GLN 47 Cb 0.02 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.12 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 -1.71 0.00 -4.32 1.08 -0.00 -1.16 -4.04 115.22 105.08 2aff n HIS 48 Ca -0.01 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.98 2aff n HIS 48 Cb 0.22 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.94 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 0.18 1.79 -0.04 0.00 2.20 -0.86 0.43 119.74 123.45 2aff s LYS 50 Ca -0.03 -0.63 0.05 0.00 -0.36 0.00 0.00 55.97 55.01 2aff s LYS 50 Cb -0.08 -1.57 -0.01 0.00 -1.51 0.00 0.00 37.83 34.67 2aff s LYS 50 CO 0.00 0.26 -0.20 -1.50 -0.36 0.00 0.00 175.35 173.56 2aff s ILE 51 N -0.02 1.61 -0.07 5.43 2.07 -0.24 0.44 121.20 130.42 2aff s ILE 51 Ca -0.03 -0.83 0.04 0.00 -1.41 0.00 0.00 60.65 58.43 2aff s ILE 51 Cb -0.11 -1.37 -0.00 0.00 0.13 0.00 0.00 42.46 41.11 2aff s ILE 51 CO 0.02 0.46 -0.21 -1.61 -1.91 0.00 0.00 174.94 171.68 2aff s GLU 52 N -0.13 2.46 -0.33 3.50 2.02 -0.29 -2.15 118.70 123.78 2aff s GLU 52 Ca -0.01 -0.77 -0.08 0.00 0.02 0.00 0.00 54.97 54.13 2aff s GLU 52 Cb -0.11 -1.98 0.02 0.00 0.10 0.00 0.00 34.13 32.16 2aff s GLU 52 CO 0.02 0.23 0.13 0.42 0.02 0.00 0.00 175.26 176.08 2aff s ILE 53 N 0.18 4.18 0.04 -1.63 1.01 -0.36 -0.82 121.20 123.80 2aff s ILE 53 Ca -0.11 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.77 2aff s ILE 53 Cb -0.15 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 2aff s ILE 53 CO 0.05 -0.09 -0.11 -1.00 0.00 0.00 0.00 174.94 173.80 2aff s HIS 54 N 1.50 2.75 0.59 3.97 3.76 -0.03 -4.91 115.29 122.93 2aff s HIS 54 Ca 0.01 -0.13 0.36 0.00 -0.15 0.00 0.00 55.06 55.15 2aff s HIS 54 Cb -0.18 -1.52 1.23 0.00 1.11 0.00 0.00 32.58 33.22 2aff s HIS 54 CO 0.04 0.35 1.41 0.93 -0.85 0.00 0.00 174.74 176.62 2aff h GLU 55 N 4.29 0.00 0.07 1.40 5.08 -2.02 0.23 114.58 123.64 2aff h GLU 55 Ca -0.48 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2aff h GLU 55 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2aff h GLU 55 CO 0.52 0.00 -0.03 1.96 -1.00 0.00 0.00 179.01 180.45 2aff h GLN 56 N 0.00 -0.09 0.00 2.33 4.20 -2.01 -3.49 115.11 116.05 2aff h GLN 56 Ca 0.66 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.38 2aff h GLN 56 Cb 3.25 0.02 0.00 0.00 0.30 0.00 0.00 27.48 31.05 2aff h GLN 56 CO -0.01 -0.06 0.00 0.39 -0.67 0.00 0.00 178.83 178.48 2aff n GLU 57 N -2.36 0.00 -3.72 1.46 1.02 0.82 -5.14 120.64 112.71 2aff n GLU 57 Ca -0.01 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.76 2aff n GLU 57 Cb 0.04 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.34 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 -1.07 3.29 -0.15 0.62 0.00 -1.26 -0.85 121.76 122.35 2aff s ALA 58 Ca 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 2aff s ALA 58 Cb 0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 2aff s ALA 58 CO 0.00 -0.46 -0.07 0.42 0.00 0.00 0.00 175.76 175.65 2aff s ILE 59 N 1.57 3.56 -0.18 0.00 1.01 0.00 0.22 121.20 127.38 2aff s ILE 59 Ca 0.06 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 2aff s ILE 59 Cb -0.15 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 2aff s ILE 59 CO 0.06 0.50 0.22 -0.22 0.00 0.00 0.00 174.94 175.50 2aff s LEU 60 N 0.48 4.22 -0.07 2.97 2.96 -0.02 -1.14 118.68 128.09 2aff s LEU 60 Ca -0.05 0.38 0.03 0.00 -0.22 0.00 0.00 54.13 54.27 2aff s LEU 60 Cb -0.15 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.27 2aff s LEU 60 CO 0.03 0.13 -0.15 -1.00 -1.32 0.00 0.00 176.35 174.04 2aff s HIS 61 N 0.46 2.69 -0.49 5.38 3.76 0.17 -1.87 115.29 125.40 2aff s HIS 61 Ca 0.13 -0.34 -0.19 0.00 -0.15 0.00 0.00 55.06 54.50 2aff s HIS 61 Cb -0.12 -1.68 0.05 0.00 1.11 0.00 0.00 32.58 31.94 2aff s HIS 61 CO 0.01 0.04 0.60 1.21 -0.85 0.00 0.00 174.74 175.75 2aff s ASN 62 N -0.39 6.23 -0.00 1.40 2.47 -1.26 -2.02 114.94 121.36 2aff s ASN 62 Ca 0.04 -0.82 0.18 0.00 0.42 0.00 0.00 52.86 52.68 2aff s ASN 62 Cb -0.12 -2.28 -0.20 0.00 -1.45 0.00 0.00 41.25 37.19 2aff s ASN 62 CO 0.02 -0.84 0.77 0.49 -3.72 0.00 0.00 177.10 173.82 2aff n PHE 63 N 6.09 0.00 -2.27 0.43 3.01 -0.55 -4.89 117.46 119.28 2aff n PHE 63 Ca -0.06 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.00 2aff n PHE 63 Cb 0.46 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.89 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 -2.75 5.76 0.10 4.37 0.15 -0.05 -4.60 113.70 116.69 2aff s SER 64 Ca 0.07 0.13 0.27 0.00 0.70 0.00 0.00 55.95 57.11 2aff s SER 64 Cb 0.14 -2.54 0.83 0.00 -1.71 0.00 0.00 66.02 62.74 2aff s SER 64 CO 0.75 -2.04 1.71 -1.54 1.20 0.00 0.00 173.24 173.32 2aff n SER 65 N 10.91 0.50 -0.11 5.45 3.41 -1.26 -3.40 113.62 129.12 2aff n SER 65 Ca 0.13 0.38 -0.14 0.00 -0.26 0.00 0.00 58.87 58.98 2aff n SER 65 Cb 0.50 -0.41 -0.13 0.00 -0.26 0.00 0.00 64.21 63.91 2aff n SER 65 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2aff n THR 66 N -1.90 1.36 -3.41 6.66 -2.24 -1.26 -4.87 114.28 108.62 2aff n THR 66 Ca 0.06 -0.66 -0.21 0.00 -2.27 0.00 0.00 64.05 60.97 2aff n THR 66 Cb 0.39 -0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 67.54 2aff n THR 66 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2aff s ASN 67 N -5.93 1.87 0.51 3.42 0.01 -1.25 -5.13 114.94 108.45 2aff s ASN 67 Ca -0.23 -1.56 -0.22 0.00 -0.71 0.00 0.00 52.86 50.15 2aff s ASN 67 Cb 0.07 0.25 -0.07 0.00 0.41 0.00 0.00 41.25 41.91 2aff s ASN 67 CO 0.66 -0.31 1.10 -2.65 -1.51 0.00 0.00 177.10 174.39 2aff n PRO 68 N 4.46 1.34 -2.60 -0.60 -0.02 -1.22 -4.64 135.00 131.72 2aff n PRO 68 Ca 0.08 0.49 -0.40 0.00 -2.02 0.00 0.00 63.50 61.65 2aff n PRO 68 Cb 0.43 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 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 -1.36 3.85 -0.09 3.45 2.01 -1.26 -4.86 115.64 117.39 2aff s THR 69 Ca 0.69 1.78 -0.04 0.00 0.31 0.00 0.00 61.69 64.42 2aff s THR 69 Cb -0.47 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 2aff s THR 69 CO 0.52 0.39 0.09 -1.10 -0.69 0.00 0.00 174.62 173.83 2aff s GLN 70 N -1.00 3.25 -0.03 4.92 -0.21 0.49 -1.60 119.66 125.48 2aff s GLN 70 Ca 0.44 -0.27 0.03 0.00 0.02 0.00 0.00 55.36 55.58 2aff s GLN 70 Cb -0.29 -3.02 0.00 0.00 1.00 0.00 0.00 33.01 30.71 2aff s GLN 70 CO 0.36 0.73 -0.12 0.08 -2.12 0.00 0.00 175.29 174.22 2aff s VAL 71 N -1.03 1.03 -1.21 1.09 1.01 0.36 0.28 120.40 121.93 2aff s VAL 71 Ca 0.16 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 2aff s VAL 71 Cb -0.12 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.37 2aff s VAL 71 CO 0.06 0.31 0.21 0.59 0.00 0.00 0.00 175.10 176.27 2aff n ASN 72 N 3.28 -4.21 -0.48 3.32 3.02 0.35 0.21 115.26 120.76 2aff n ASN 72 Ca -0.19 -0.03 -0.05 0.00 -0.03 0.00 0.00 54.58 54.28 2aff n ASN 72 Cb 0.54 -3.52 -0.01 0.00 -0.61 0.00 0.00 39.78 36.18 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 -1.00 0.48 2.94 7.41 0.00 -1.26 -5.04 105.19 108.72 2aff n GLY 73 Ca -0.11 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 2aff n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2aff s SER 74 N -2.86 -0.04 0.31 1.61 0.15 0.13 -5.08 113.70 107.91 2aff s SER 74 Ca 0.00 0.08 -0.29 0.00 0.70 0.00 0.00 55.95 56.44 2aff s SER 74 Cb 0.00 0.12 -0.10 0.00 -1.71 0.00 0.00 66.02 64.33 2aff s SER 74 CO 0.00 -0.05 1.28 -0.69 1.20 0.00 0.00 173.24 174.99 2aff s VAL 75 N -0.09 2.85 -0.62 4.45 1.01 -1.26 0.14 120.40 126.87 2aff s VAL 75 Ca -0.01 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 62.80 2aff s VAL 75 Cb -0.01 -3.53 0.16 0.00 0.00 0.00 0.00 36.38 32.99 2aff s VAL 75 CO 0.00 0.19 0.42 0.27 0.00 0.00 0.00 175.10 175.98 2aff s ILE 76 N -1.02 3.43 0.46 2.22 -4.36 -0.63 -4.88 121.20 116.42 2aff s ILE 76 Ca 0.49 -3.16 0.30 0.00 -0.26 0.00 0.00 60.65 58.02 2aff s ILE 76 Cb -0.39 -3.26 0.33 0.00 1.25 0.00 0.00 42.46 40.39 2aff s ILE 76 CO 0.50 -0.87 2.14 0.44 0.24 0.00 0.00 174.94 177.38 2aff h ASP 77 N 6.76 0.00 -2.50 4.36 3.32 -1.95 -3.42 116.42 123.00 2aff h ASP 77 Ca -0.02 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.49 2aff h ASP 77 Cb 0.92 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.33 2aff h ASP 77 CO 0.71 0.07 -0.65 -1.83 -1.72 0.00 0.00 179.24 175.83 2aff s GLU 78 N -4.24 1.71 0.60 3.56 -1.05 -1.26 -4.84 118.70 113.19 2aff s GLU 78 Ca -0.03 -1.91 -0.18 0.00 -0.15 0.00 0.00 54.97 52.70 2aff s GLU 78 Cb 0.13 -1.33 -0.03 0.00 -0.44 0.00 0.00 34.13 32.46 2aff s GLU 78 CO 0.55 0.01 1.20 -1.25 0.95 0.00 0.00 175.26 176.72 2aff s PRO 79 N -3.72 2.92 -0.02 -4.83 0.04 -1.26 -4.71 135.00 123.41 2aff s PRO 79 Ca 0.32 1.78 -0.04 0.00 0.04 0.00 0.00 61.00 63.11 2aff s PRO 79 Cb 0.06 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2aff s PRO 79 CO 0.15 -1.24 0.10 0.14 0.04 0.00 0.00 177.00 176.19 2aff s VAL 80 N -1.68 0.04 0.24 -0.36 -7.23 -0.78 -4.98 120.40 105.65 2aff s VAL 80 Ca 0.76 -0.30 -0.30 0.00 -1.81 0.00 0.00 61.98 60.33 2aff s VAL 80 Cb -0.29 -0.25 -0.09 0.00 0.56 0.00 0.00 36.38 36.31 2aff s VAL 80 CO 0.34 -0.17 1.08 -0.13 -0.31 0.00 0.00 175.10 175.92 2aff s ARG 81 N -0.52 4.65 -0.12 4.82 0.52 -1.26 -0.84 118.95 126.20 2aff s ARG 81 Ca -0.06 1.75 -0.12 0.00 -0.52 0.00 0.00 55.73 56.77 2aff s ARG 81 Cb -0.04 -3.23 -0.05 0.00 0.52 0.00 0.00 34.95 32.16 2aff s ARG 81 CO 0.00 0.20 0.27 -0.51 0.02 0.00 0.00 175.30 175.28 2aff s LEU 82 N -1.05 4.33 0.23 2.53 1.43 0.60 -4.91 118.68 121.83 2aff s LEU 82 Ca 0.46 0.59 0.11 0.00 -1.03 0.00 0.00 54.13 54.25 2aff s LEU 82 Cb -0.31 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 2aff s LEU 82 CO 0.38 0.23 -0.21 -0.54 0.23 0.00 0.00 176.35 176.45 2aff s LYS 83 N -0.27 1.53 -0.07 1.70 1.02 -1.26 -4.20 119.74 118.19 2aff s LYS 83 Ca 0.17 -1.61 -0.34 0.00 0.02 0.00 0.00 55.97 54.21 2aff s LYS 83 Cb -0.13 -1.66 -0.12 0.00 -0.52 0.00 0.00 37.83 35.40 2aff s LYS 83 CO 0.06 0.33 1.87 1.58 -0.92 0.00 0.00 175.35 178.27 2aff n HIS 84 N -0.15 2.34 0.00 3.18 -0.00 -1.26 -0.82 115.22 118.51 2aff n HIS 84 Ca -0.09 -0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 2aff n HIS 84 Cb 0.58 -2.67 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 4.36 2.69 3.75 1.57 0.00 -0.83 -4.96 105.19 111.76 2aff n GLY 85 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.55 6.82 -0.10 1.61 1.01 -0.00 -4.80 116.67 119.66 2aff s ASP 86 Ca 0.00 2.52 0.02 0.00 0.71 0.00 0.00 52.55 55.80 2aff s ASP 86 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 2aff s ASP 86 CO 0.00 -0.56 -0.14 -0.69 0.21 0.00 0.00 175.17 173.99 2aff s VAL 87 N -0.23 2.97 -0.18 -1.27 1.01 -1.26 -2.21 120.40 119.23 2aff s VAL 87 Ca 0.55 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 2aff s VAL 87 Cb -0.38 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 2aff s VAL 87 CO 0.43 0.55 0.12 -0.63 0.00 0.00 0.00 175.10 175.57 2aff s ILE 88 N -0.03 5.33 -0.08 2.22 1.01 -0.90 -0.49 121.20 128.26 2aff s ILE 88 Ca -0.04 0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.80 2aff s ILE 88 Cb -0.14 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 38.94 2aff s ILE 88 CO 0.04 0.49 -0.17 -0.89 0.00 0.00 0.00 174.94 174.41 2aff s THR 89 N 0.02 1.47 -0.12 2.92 2.01 0.78 -0.38 115.64 122.34 2aff s THR 89 Ca 0.09 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.44 2aff s THR 89 Cb -0.11 -1.31 0.00 0.00 0.01 0.00 0.00 72.50 71.09 2aff s THR 89 CO -0.00 0.43 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.51 2aff s ILE 90 N 0.54 2.17 0.00 1.82 1.01 0.69 -0.38 121.20 127.06 2aff s ILE 90 Ca -0.16 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.53 2aff s ILE 90 Cb -0.17 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.45 2aff s ILE 90 CO 0.06 0.55 0.00 -0.38 0.00 0.00 0.00 174.94 175.17 2aff n ILE 91 N 3.79 0.00 -1.59 2.92 2.08 -1.26 0.26 119.36 125.55 2aff n ILE 91 Ca -0.19 0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.18 2aff n ILE 91 Cb 0.52 0.00 0.11 0.00 -0.75 0.00 0.00 39.64 39.53 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 3.05 1.51 -4.17 4.38 2.03 -1.26 -5.02 116.55 117.08 2aff n ASP 92 Ca 0.00 -2.93 -0.25 0.00 0.52 0.00 0.00 54.79 52.13 2aff n ASP 92 Cb 0.00 -0.39 -0.15 0.00 -0.72 0.00 0.00 41.12 39.86 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 -1.99 1.44 0.02 -0.67 0.52 0.71 -4.60 118.95 114.40 2aff s ARG 93 Ca 0.27 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 2aff s ARG 93 Cb 0.26 -1.39 -0.02 0.00 0.52 0.00 0.00 34.95 34.32 2aff s ARG 93 CO -0.03 0.37 -0.03 0.45 0.02 0.00 0.00 175.30 176.08 2aff s SER 94 N -0.39 0.29 -0.19 0.23 0.15 -1.26 0.25 113.70 112.78 2aff s SER 94 Ca 0.06 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2aff s SER 94 Cb -0.07 0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.36 2aff s SER 94 CO -0.01 -0.31 -0.17 -0.36 1.20 0.00 0.00 173.24 173.59 2aff s PHE 95 N -1.59 2.83 -0.01 3.44 0.08 0.49 -2.32 117.98 120.90 2aff s PHE 95 Ca -0.14 -1.59 -0.28 0.00 0.12 0.00 0.00 56.93 55.04 2aff s PHE 95 Cb -0.09 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 2aff s PHE 95 CO -0.01 -0.78 0.88 0.50 -0.10 0.00 0.00 175.22 175.71 2aff s ARG 96 N 1.31 4.53 -0.23 0.44 3.52 -0.92 -2.11 118.95 125.49 2aff s ARG 96 Ca 0.04 1.24 -0.13 0.00 -0.13 0.00 0.00 55.73 56.76 2aff s ARG 96 Cb -0.14 -3.44 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 2aff s ARG 96 CO -0.11 0.02 0.26 -0.47 -0.81 0.00 0.00 175.30 174.19 2aff s TYR 97 N 0.81 3.33 -0.10 5.12 5.04 -0.94 -2.12 117.35 128.50 2aff s TYR 97 Ca 0.47 0.38 0.01 0.00 -2.44 0.00 0.00 57.07 55.48 2aff s TYR 97 Cb -0.20 -2.38 0.02 0.00 0.35 0.00 0.00 41.96 39.75 2aff s TYR 97 CO 0.25 0.02 -0.10 -1.21 -1.34 0.00 0.00 175.55 173.17 2aff s GLU 98 N 1.20 1.70 -0.42 4.97 2.02 -0.80 -1.97 118.70 125.41 2aff s GLU 98 Ca 0.12 -0.35 -0.15 0.00 0.02 0.00 0.00 54.97 54.61 2aff s GLU 98 Cb -0.14 -1.60 0.03 0.00 0.10 0.00 0.00 34.13 32.52 2aff s GLU 98 CO 0.06 -0.15 0.31 1.21 0.02 0.00 0.00 175.26 176.70 2aff s ASN 99 N 1.30 6.10 0.00 -0.19 2.47 -1.26 -1.96 114.94 121.40 2aff s ASN 99 Ca -0.02 -0.95 0.25 0.00 0.42 0.00 0.00 52.86 52.56 2aff s ASN 99 Cb -0.14 -2.16 0.36 0.00 -1.45 0.00 0.00 41.25 37.87 2aff s ASN 99 CO -0.04 -0.47 1.36 -0.62 -3.72 0.00 0.00 177.10 173.61