#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 1.56 -3.09 0.52 -1.04 -1.26 -4.91 114.28 106.06 2aff n THR 4 Ca 0.00 -0.43 -0.39 0.00 -2.04 0.00 0.00 64.05 61.18 2aff n THR 4 Cb 0.00 -1.73 -0.05 0.00 -1.82 0.00 0.00 70.33 66.73 2aff n THR 4 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2aff s ARG 5 N -2.50 4.41 -0.01 -2.82 0.52 -1.26 -4.04 118.95 113.26 2aff s ARG 5 Ca -0.33 0.80 0.02 0.00 -0.52 0.00 0.00 55.73 55.70 2aff s ARG 5 Cb 0.10 -3.45 -0.00 0.00 0.52 0.00 0.00 34.95 32.12 2aff s ARG 5 CO 0.59 0.07 -0.08 1.03 0.02 0.00 0.00 175.30 176.93 2aff s ARG 6 N 0.81 0.65 -0.13 3.54 0.52 0.04 -1.96 118.95 122.42 2aff s ARG 6 Ca 0.35 -0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.29 2aff s ARG 6 Cb -0.17 -0.63 -0.01 0.00 0.52 0.00 0.00 34.95 34.66 2aff s ARG 6 CO 0.17 0.16 -0.14 -1.17 0.02 0.00 0.00 175.30 174.34 2aff s LEU 7 N -0.14 2.66 -0.15 2.53 2.96 -0.97 -1.41 118.68 124.17 2aff s LEU 7 Ca 0.02 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.54 2aff s LEU 7 Cb -0.04 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 2aff s LEU 7 CO -0.00 0.15 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.47 2aff s VAL 8 N 0.43 4.04 0.36 1.68 1.01 -0.61 0.13 120.40 127.45 2aff s VAL 8 Ca -0.10 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 2aff s VAL 8 Cb -0.16 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.35 2aff s VAL 8 CO 0.05 0.50 0.88 -0.89 0.00 0.00 0.00 175.10 175.64 2aff s THR 9 N 0.22 4.43 -0.05 3.92 2.01 -0.85 -0.83 115.64 124.49 2aff s THR 9 Ca -0.01 1.43 0.06 0.00 0.31 0.00 0.00 61.69 63.48 2aff s THR 9 Cb -0.14 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 2aff s THR 9 CO 0.02 -0.14 -0.22 -0.63 -0.69 0.00 0.00 174.62 172.97 2aff s ILE 10 N -1.95 2.41 0.42 1.82 1.01 -0.28 -2.31 121.20 122.32 2aff s ILE 10 Ca 0.56 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 2aff s ILE 10 Cb -0.12 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 2aff s ILE 10 CO 0.17 0.58 0.67 -0.54 0.00 0.00 0.00 174.94 175.82 2aff s LYS 11 N -0.46 3.43 0.54 2.79 1.02 0.21 -4.14 119.74 123.13 2aff s LYS 11 Ca 0.05 -0.13 0.21 0.00 0.02 0.00 0.00 55.97 56.12 2aff s LYS 11 Cb -0.12 -2.52 1.42 0.00 -0.52 0.00 0.00 37.83 36.09 2aff s LYS 11 CO 0.01 -0.08 2.13 0.00 -0.92 0.00 0.00 175.35 176.50 2aff h ARG 12 N 0.46 0.00 0.00 1.68 3.08 -1.87 0.22 114.38 117.96 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 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2aff h ARG 12 CO 0.61 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.38 2aff n SER 13 N -4.33 0.00 -0.08 7.04 3.41 -1.26 -4.86 113.62 113.54 2aff n SER 13 Ca -0.00 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2aff n SER 13 Cb 0.21 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 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 1.16 1.10 3.18 5.00 0.00 0.76 -5.08 105.19 111.32 2aff n GLY 14 Ca 0.10 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.16 1.66 0.22 1.61 1.01 -1.23 -4.86 120.40 116.65 2aff s VAL 15 Ca 0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 2aff s VAL 15 Cb 0.00 -1.42 -0.08 0.00 0.00 0.00 0.00 36.38 34.88 2aff s VAL 15 CO 0.00 0.47 1.06 -1.81 0.00 0.00 0.00 175.10 174.82 2aff s ASP 16 N -0.03 7.36 0.00 3.32 1.01 -1.26 0.68 116.67 127.75 2aff s ASP 16 Ca -0.04 2.11 0.00 0.00 0.71 0.00 0.00 52.55 55.33 2aff s ASP 16 Cb -0.12 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.19 2aff s ASP 16 CO 0.03 -0.10 0.00 0.61 0.21 0.00 0.00 175.17 175.91 2aff n GLY 17 N 1.63 2.66 3.80 0.21 0.00 -0.98 -4.92 105.19 107.60 2aff n GLY 17 Ca 0.00 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 3.16 3.48 0.16 1.61 0.04 -1.26 -4.73 135.00 137.45 2aff s PRO 18 Ca 0.00 1.28 0.07 0.00 0.04 0.00 0.00 61.00 62.38 2aff s PRO 18 Cb 0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2aff s PRO 18 CO 0.00 -0.69 0.00 -3.38 0.04 0.00 0.00 177.00 172.97 2aff s HIS 19 N -2.26 2.88 -0.42 0.56 -3.43 -1.26 -2.01 115.29 109.34 2aff s HIS 19 Ca 0.65 -0.12 0.03 0.00 -0.80 0.00 0.00 55.06 54.83 2aff s HIS 19 Cb -0.17 -1.41 0.12 0.00 -1.43 0.00 0.00 32.58 29.69 2aff s HIS 19 CO 0.31 0.51 0.16 0.12 -2.00 0.00 0.00 174.74 173.84 2aff s PHE 20 N -1.65 3.09 0.15 0.38 5.36 0.34 -4.96 117.98 120.69 2aff s PHE 20 Ca 0.27 -2.86 -0.32 0.00 -0.96 0.00 0.00 56.93 53.07 2aff s PHE 20 Cb -0.10 -2.62 -0.11 0.00 -0.34 0.00 0.00 43.02 39.85 2aff s PHE 20 CO 0.19 -0.84 1.79 -2.30 -1.46 0.00 0.00 175.22 172.59 2aff n PRO 21 N 3.79 2.74 -1.23 10.12 -0.02 -1.26 -2.29 135.00 146.85 2aff n PRO 21 Ca 0.04 0.99 -0.19 0.00 -2.02 0.00 0.00 63.50 62.33 2aff n PRO 21 Cb 0.37 -2.86 -0.12 0.00 -0.02 0.00 0.00 33.50 30.87 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 4.96 5.83 0.02 2.45 4.77 -0.83 -4.51 117.00 129.69 2aff n LEU 22 Ca 0.17 -3.59 0.03 0.00 -0.03 0.00 0.00 56.01 52.59 2aff n LEU 22 Cb 0.36 -1.34 0.41 0.00 -2.33 0.00 0.00 43.42 40.52 2aff n LEU 22 CO 0.65 1.72 1.11 0.28 -1.33 0.00 0.00 177.39 179.82 2aff h SER 23 N 3.03 0.44 -3.85 -1.43 0.02 -1.89 -3.42 113.55 106.45 2aff h SER 23 Ca 0.29 -0.03 -0.52 0.00 -0.84 0.00 0.00 61.79 60.70 2aff h SER 23 Cb 1.15 -0.11 0.05 0.00 0.14 0.00 0.00 62.40 63.62 2aff h SER 23 CO 0.54 0.36 0.57 -0.76 -1.14 0.00 0.00 176.83 176.40 2aff s LEU 24 N -9.37 4.48 0.53 5.07 1.43 -1.26 -4.90 118.68 114.66 2aff s LEU 24 Ca -0.08 2.52 0.35 0.00 -1.03 0.00 0.00 54.13 55.89 2aff s LEU 24 Cb 0.17 -3.64 1.67 0.00 0.03 0.00 0.00 46.19 44.42 2aff s LEU 24 CO 0.73 -0.37 2.06 -1.28 0.23 0.00 0.00 176.35 177.72 2aff h SER 25 N 3.57 0.00 -3.65 2.29 0.87 -1.89 -3.42 113.55 111.32 2aff h SER 25 Ca -0.48 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 59.69 2aff h SER 25 Cb 1.22 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.86 2aff h SER 25 CO 0.66 0.00 -0.77 -0.89 -0.53 0.00 0.00 176.83 175.30 2aff s THR 26 N -3.78 0.54 -0.11 2.23 2.01 -1.26 -0.56 115.64 114.71 2aff s THR 26 Ca -0.01 -0.19 -0.00 0.00 0.31 0.00 0.00 61.69 61.80 2aff s THR 26 Cb 0.10 -0.52 0.02 0.00 0.01 0.00 0.00 72.50 72.11 2aff s THR 26 CO 0.45 0.20 -0.08 0.00 -0.69 0.00 0.00 174.62 174.50 2aff s LEU 28 N 1.67 2.37 -0.06 0.00 2.96 -1.26 -0.13 118.68 124.22 2aff s LEU 28 Ca 0.04 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2aff s LEU 28 Cb -0.13 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2aff s LEU 28 CO -0.08 0.19 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.73 2aff s PHE 29 N 0.17 2.98 -5.00 5.38 0.40 0.15 -0.38 117.98 121.68 2aff s PHE 29 Ca -0.11 0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 2aff s PHE 29 Cb -0.16 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.66 2aff s PHE 29 CO 0.06 0.37 0.00 0.41 0.70 0.00 0.00 175.22 176.76 2aff n GLY 30 N 2.12 -1.25 0.13 4.36 0.00 -0.74 -2.32 105.19 107.50 2aff n GLY 30 Ca -0.18 -1.48 -0.07 0.00 0.00 0.00 0.00 46.02 44.29 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 2.12 0.17 -6.24 1.61 3.08 -1.32 -2.93 114.38 110.87 2aff h ARG 31 Ca 0.00 -0.17 -0.64 0.00 0.07 0.00 0.00 59.98 59.25 2aff h ARG 31 Cb 0.00 0.04 0.11 0.00 0.08 0.00 0.00 29.97 30.20 2aff h ARG 31 CO 0.00 0.88 -0.20 0.41 -1.07 0.00 0.00 179.97 179.99 2aff n GLY 32 N 0.72 -1.01 0.27 0.04 0.00 -0.94 -4.81 105.19 99.47 2aff n GLY 32 Ca -0.03 0.33 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 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 1.49 1.27 0.00 -0.61 6.09 -1.90 -2.12 117.51 121.73 2aff h ILE 33 Ca -0.34 -1.19 0.00 0.00 -1.37 0.00 0.00 64.86 61.96 2aff h ILE 33 Cb 1.39 1.00 0.00 0.00 0.47 0.00 0.00 36.82 39.68 2aff h ILE 33 CO 0.59 0.42 0.00 -0.08 -3.07 0.00 0.00 178.15 176.01 2aff h GLU 34 N 0.81 0.00 -6.69 2.19 4.57 -1.97 -3.43 114.58 110.07 2aff h GLU 34 Ca 0.14 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.79 2aff h GLU 34 Cb 0.62 0.00 0.06 0.00 -0.16 0.00 0.00 28.75 29.27 2aff h GLU 34 CO 0.04 0.00 0.95 0.00 -1.18 0.00 0.00 179.01 178.82 2aff h ASP 36 N 6.19 0.39 -3.44 0.00 3.32 -0.98 -3.36 116.42 118.55 2aff h ASP 36 Ca -0.44 -0.02 -0.65 0.00 0.02 0.00 0.00 57.03 55.94 2aff h ASP 36 Cb 1.21 -0.10 -0.36 0.00 0.22 0.00 0.00 39.33 40.30 2aff h ASP 36 CO 0.90 0.32 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.28 2aff s ILE 37 N -5.34 1.96 -0.17 0.35 -1.09 0.05 -4.96 121.20 112.00 2aff s ILE 37 Ca -0.08 -1.18 -0.09 0.00 -2.23 0.00 0.00 60.65 57.08 2aff s ILE 37 Cb 0.17 -1.94 -0.05 0.00 -1.58 0.00 0.00 42.46 39.06 2aff s ILE 37 CO 0.73 0.24 0.12 -0.13 -1.23 0.00 0.00 174.94 174.67 2aff s ARG 38 N 1.26 3.92 -0.11 2.79 0.52 -1.26 -1.79 118.95 124.29 2aff s ARG 38 Ca -0.01 -0.22 0.03 0.00 -0.52 0.00 0.00 55.73 55.01 2aff s ARG 38 Cb -0.16 -3.31 -0.00 0.00 0.52 0.00 0.00 34.95 32.00 2aff s ARG 38 CO -0.09 0.44 -0.23 0.42 0.02 0.00 0.00 175.30 175.87 2aff s ILE 39 N -0.06 2.19 -0.59 1.52 1.01 -1.11 -4.96 121.20 119.20 2aff s ILE 39 Ca 0.09 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.77 2aff s ILE 39 Cb -0.11 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.51 2aff s ILE 39 CO 0.00 0.55 0.53 0.00 0.00 0.00 0.00 174.94 176.02 2aff n GLN 40 N 3.54 0.75 -3.58 2.79 6.02 -1.26 -4.54 117.38 121.10 2aff n GLN 40 Ca -0.19 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.43 2aff n GLN 40 Cb 0.53 -1.27 -0.08 0.00 1.02 0.00 0.00 30.24 30.43 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 0.00 1.08 1.43 -1.26 -4.96 118.68 119.13 2aff s LEU 41 Ca 0.00 0.30 0.16 0.00 -1.03 0.00 0.00 54.13 53.56 2aff s LEU 41 Cb 0.00 -2.26 0.69 0.00 0.03 0.00 0.00 46.19 44.66 2aff s LEU 41 CO 0.00 0.05 1.51 -0.81 0.23 0.00 0.00 176.35 177.33 2aff n PRO 42 N 4.10 0.02 -0.18 1.29 -0.04 -1.26 -2.38 135.00 136.55 2aff n PRO 42 Ca -0.13 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 2aff n PRO 42 Cb 0.52 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.48 0.47 -3.56 0.52 0.24 -1.26 -4.91 118.33 108.35 2aff n VAL 43 Ca 0.04 -0.68 -0.37 0.00 -2.04 0.00 0.00 64.34 61.29 2aff n VAL 43 Cb 0.18 0.83 -0.06 0.00 -1.47 0.00 0.00 33.84 33.32 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 -1.53 5.19 0.95 3.34 1.01 -1.00 -4.93 120.40 123.42 2aff s VAL 44 Ca 0.38 0.68 -0.12 0.00 0.00 0.00 0.00 61.98 62.92 2aff s VAL 44 Cb 0.22 -3.65 0.16 0.00 0.00 0.00 0.00 36.38 33.11 2aff s VAL 44 CO 0.30 0.52 1.09 -0.55 0.00 0.00 0.00 175.10 176.46 2aff s SER 45 N -0.56 2.95 0.19 3.32 0.15 -1.26 -4.51 113.70 113.98 2aff s SER 45 Ca 0.21 1.53 -0.11 0.00 0.70 0.00 0.00 55.95 58.28 2aff s SER 45 Cb -0.15 -2.20 0.11 0.00 -1.71 0.00 0.00 66.02 62.08 2aff s SER 45 CO 0.09 -2.97 1.77 0.11 1.20 0.00 0.00 173.24 173.44 2aff h LYS 46 N -1.78 0.99 0.00 5.44 1.57 -1.94 -2.18 116.57 118.67 2aff h LYS 46 Ca -0.51 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 2aff h LYS 46 Cb 1.29 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2aff h LYS 46 CO 0.53 0.79 -1.20 1.04 -0.57 0.00 0.00 179.45 180.04 2aff n GLN 47 N -4.44 1.13 0.00 3.15 6.02 -1.26 -2.22 117.38 119.75 2aff n GLN 47 Ca 0.05 -0.07 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 30.24 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 -1.69 0.00 -4.50 1.08 -0.00 -1.08 -3.88 115.22 105.16 2aff n HIS 48 Ca -0.01 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.96 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 0.03 1.95 -0.10 0.00 2.20 -0.76 0.31 119.74 123.37 2aff s LYS 50 Ca -0.01 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.13 2aff s LYS 50 Cb -0.08 -1.60 -0.02 0.00 -1.51 0.00 0.00 37.83 34.62 2aff s LYS 50 CO 0.00 0.03 -0.15 0.42 -0.36 0.00 0.00 175.35 175.29 2aff s ILE 51 N 0.70 2.93 -0.14 5.43 1.01 0.81 0.64 121.20 132.58 2aff s ILE 51 Ca -0.13 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.80 2aff s ILE 51 Cb -0.16 -2.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.12 2aff s ILE 51 CO 0.03 0.55 -0.17 -1.61 0.00 0.00 0.00 174.94 173.74 2aff s GLU 52 N -0.01 3.19 -0.30 2.79 2.02 0.54 -1.66 118.70 125.27 2aff s GLU 52 Ca -0.04 -0.78 -0.07 0.00 0.02 0.00 0.00 54.97 54.11 2aff s GLU 52 Cb -0.14 -2.54 0.02 0.00 0.10 0.00 0.00 34.13 31.56 2aff s GLU 52 CO 0.04 0.08 0.08 0.42 0.02 0.00 0.00 175.26 175.90 2aff s ILE 53 N 0.65 3.89 0.06 -1.63 1.01 0.28 -0.30 121.20 125.16 2aff s ILE 53 Ca -0.09 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 59.83 2aff s ILE 53 Cb -0.16 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 2aff s ILE 53 CO 0.02 0.03 -0.14 -1.00 0.00 0.00 0.00 174.94 173.85 2aff s HIS 54 N 1.47 2.67 0.64 3.97 3.76 0.51 -4.86 115.29 123.45 2aff s HIS 54 Ca 0.02 -0.19 0.13 0.00 -0.15 0.00 0.00 55.06 54.87 2aff s HIS 54 Cb -0.18 -1.47 0.47 0.00 1.11 0.00 0.00 32.58 32.52 2aff s HIS 54 CO 0.02 0.34 1.17 0.93 -0.85 0.00 0.00 174.74 176.35 2aff h GLU 55 N 4.19 0.00 0.02 1.40 3.07 -2.01 0.29 114.58 121.54 2aff h GLU 55 Ca -0.48 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.38 2aff h GLU 55 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2aff h GLU 55 CO 0.50 0.00 -0.01 1.96 -1.40 0.00 0.00 179.01 180.06 2aff h GLN 56 N 0.00 -0.03 0.00 2.33 1.08 -2.00 -3.50 115.11 112.99 2aff h GLN 56 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2aff h GLN 56 Cb 2.37 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.81 2aff h GLN 56 CO -0.00 -0.02 0.00 -0.85 -0.95 0.00 0.00 178.83 177.01 2aff n GLU 57 N -2.19 0.00 -4.11 1.46 0.28 0.10 -5.15 120.64 111.03 2aff n GLU 57 Ca -0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.65 2aff n GLU 57 Cb 0.01 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 32.75 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 2.94 -0.13 -1.84 0.00 -1.26 -0.36 121.76 120.11 2aff s ALA 58 Ca 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 2aff s ALA 58 Cb 0.00 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.41 2aff s ALA 58 CO 0.00 -0.16 -0.12 0.42 0.00 0.00 0.00 175.76 175.90 2aff s ILE 59 N 1.03 3.15 -0.21 0.00 1.01 0.59 0.17 121.20 126.94 2aff s ILE 59 Ca 0.01 -0.63 -0.10 0.00 0.00 0.00 0.00 60.65 59.93 2aff s ILE 59 Cb -0.14 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 2aff s ILE 59 CO 0.01 0.52 0.15 -0.22 0.00 0.00 0.00 174.94 175.40 2aff s LEU 60 N 0.34 4.18 -0.09 2.97 2.96 0.39 -0.34 118.68 129.10 2aff s LEU 60 Ca -0.10 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 2aff s LEU 60 Cb -0.16 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 2aff s LEU 60 CO 0.05 0.14 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.10 2aff s HIS 61 N 0.61 2.80 -0.47 5.38 3.76 0.21 -1.60 115.29 125.97 2aff s HIS 61 Ca 0.08 -0.29 -0.20 0.00 -0.15 0.00 0.00 55.06 54.50 2aff s HIS 61 Cb -0.12 -1.74 0.04 0.00 1.11 0.00 0.00 32.58 31.87 2aff s HIS 61 CO 0.00 0.07 0.61 1.21 -0.85 0.00 0.00 174.74 175.78 2aff s ASN 62 N -0.32 6.26 -0.00 1.40 3.84 -1.26 -1.83 114.94 123.02 2aff s ASN 62 Ca 0.03 -0.64 0.20 0.00 0.21 0.00 0.00 52.86 52.66 2aff s ASN 62 Cb -0.13 -2.29 -0.23 0.00 -0.55 0.00 0.00 41.25 38.05 2aff s ASN 62 CO 0.03 -0.81 0.79 0.49 -2.79 0.00 0.00 177.10 174.80 2aff n PHE 63 N 6.15 0.00 -2.17 0.43 3.01 -0.66 -4.84 117.46 119.37 2aff n PHE 63 Ca -0.05 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.04 2aff n PHE 63 Cb 0.47 -0.07 -0.03 0.00 -0.01 0.00 0.00 39.48 39.83 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 -3.11 5.50 0.28 4.37 0.15 -0.26 -4.63 113.70 116.00 2aff s SER 64 Ca 0.05 -0.03 0.24 0.00 0.70 0.00 0.00 55.95 56.92 2aff s SER 64 Cb 0.15 -2.54 0.46 0.00 -1.71 0.00 0.00 66.02 62.38 2aff s SER 64 CO 0.82 -2.27 1.55 -1.28 1.20 0.00 0.00 173.24 173.26 2aff h SER 65 N 13.24 0.00 0.06 5.45 0.87 -1.90 -3.28 113.55 127.99 2aff h SER 65 Ca -0.20 -0.04 -0.35 0.00 -1.23 0.00 0.00 61.79 59.97 2aff h SER 65 Cb 1.11 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.04 2aff h SER 65 CO 1.24 0.02 -2.01 0.41 -0.53 0.00 0.00 176.83 175.96 2aff n THR 66 N -2.59 1.64 -3.68 2.23 -1.04 -1.26 -4.81 114.28 104.77 2aff n THR 66 Ca 0.04 -0.48 -0.30 0.00 -2.04 0.00 0.00 64.05 61.28 2aff n THR 66 Cb 0.48 -1.75 -0.14 0.00 -1.82 0.00 0.00 70.33 67.10 2aff n THR 66 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2aff s ASN 67 N -6.94 3.81 0.48 8.00 0.01 -1.26 -5.13 114.94 113.91 2aff s ASN 67 Ca -0.28 -1.81 -0.24 0.00 -0.71 0.00 0.00 52.86 49.82 2aff s ASN 67 Cb 0.08 -0.79 -0.08 0.00 0.41 0.00 0.00 41.25 40.87 2aff s ASN 67 CO 0.67 -0.38 1.27 -2.65 -1.51 0.00 0.00 177.10 174.50 2aff n PRO 68 N 4.60 1.78 -2.41 -0.60 -0.02 -1.24 -4.68 135.00 132.44 2aff n PRO 68 Ca 0.01 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.78 2aff n PRO 68 Cb 0.40 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 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 -1.26 3.49 -0.03 3.45 2.01 -1.26 -4.89 115.64 117.16 2aff s THR 69 Ca 0.65 0.93 0.04 0.00 0.31 0.00 0.00 61.69 63.63 2aff s THR 69 Cb -0.47 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2aff s THR 69 CO 0.54 -0.20 -0.15 -1.10 -0.69 0.00 0.00 174.62 173.03 2aff s GLN 70 N -3.26 2.42 -0.05 4.92 -0.21 -0.79 -1.57 119.66 121.13 2aff s GLN 70 Ca 0.70 -0.76 0.03 0.00 0.02 0.00 0.00 55.36 55.36 2aff s GLN 70 Cb -0.20 -2.34 0.00 0.00 1.00 0.00 0.00 33.01 31.47 2aff s GLN 70 CO 0.23 0.61 -0.15 0.08 -2.12 0.00 0.00 175.29 173.94 2aff s VAL 71 N -0.78 1.25 -1.37 1.09 1.01 0.36 0.76 120.40 122.72 2aff s VAL 71 Ca 0.12 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 2aff s VAL 71 Cb -0.11 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.20 2aff s VAL 71 CO 0.02 0.37 0.21 0.59 0.00 0.00 0.00 175.10 176.29 2aff n ASN 72 N 3.33 -4.79 -0.64 3.32 3.02 -0.94 -0.33 115.26 118.23 2aff n ASN 72 Ca -0.19 -0.05 -0.07 0.00 -0.03 0.00 0.00 54.58 54.23 2aff n ASN 72 Cb 0.53 -3.98 -0.02 0.00 -0.61 0.00 0.00 39.78 35.70 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 0.65 2.95 7.41 0.00 -1.26 -5.03 105.19 108.85 2aff n GLY 73 Ca -0.14 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.84 0.35 0.18 1.61 0.15 0.55 -5.10 113.70 108.60 2aff s SER 74 Ca 0.00 -0.23 -0.31 0.00 0.70 0.00 0.00 55.95 56.11 2aff s SER 74 Cb 0.00 0.01 -0.09 0.00 -1.71 0.00 0.00 66.02 64.23 2aff s SER 74 CO 0.00 -0.09 1.43 -0.69 1.20 0.00 0.00 173.24 175.09 2aff s VAL 75 N -0.60 2.95 -0.73 4.45 1.01 -1.26 0.13 120.40 126.35 2aff s VAL 75 Ca -0.05 0.73 0.04 0.00 0.00 0.00 0.00 61.98 62.70 2aff s VAL 75 Cb -0.04 -3.47 0.18 0.00 0.00 0.00 0.00 36.38 33.05 2aff s VAL 75 CO -0.00 0.08 0.56 0.00 0.00 0.00 0.00 175.10 175.75 2aff n ILE 76 N 3.22 1.92 0.29 2.22 0.00 -0.61 -4.86 119.36 121.55 2aff n ILE 76 Ca 0.10 -4.94 0.18 0.00 0.00 0.00 0.00 62.75 58.08 2aff n ILE 76 Cb 0.41 -2.21 0.85 0.00 0.00 0.00 0.00 39.64 38.69 2aff n ILE 76 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2aff h ASP 77 N 5.38 0.00 -2.21 9.51 3.58 -1.93 -3.43 116.42 127.32 2aff h ASP 77 Ca 0.16 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 57.07 2aff h ASP 77 Cb 0.75 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.72 2aff h ASP 77 CO 0.75 0.04 -0.60 -1.61 -2.88 0.00 0.00 179.24 174.94 2aff s GLU 78 N -3.94 2.53 0.51 0.28 2.02 -1.26 -4.83 118.70 114.01 2aff s GLU 78 Ca -0.02 -1.28 -0.23 0.00 0.02 0.00 0.00 54.97 53.47 2aff s GLU 78 Cb 0.11 -2.31 -0.06 0.00 0.10 0.00 0.00 34.13 31.97 2aff s GLU 78 CO 0.52 0.38 1.31 -1.25 0.02 0.00 0.00 175.26 176.24 2aff s PRO 79 N -3.73 3.40 -0.02 0.39 0.04 -1.26 -4.76 135.00 129.05 2aff s PRO 79 Ca 0.32 2.12 -0.06 0.00 0.04 0.00 0.00 61.00 63.42 2aff s PRO 79 Cb -0.07 -2.36 0.01 0.00 0.04 0.00 0.00 34.50 32.12 2aff s PRO 79 CO 0.22 -0.95 0.14 0.54 0.04 0.00 0.00 177.00 176.99 2aff s VAL 80 N -1.36 0.05 0.10 -0.36 0.11 -0.63 -5.00 120.40 113.31 2aff s VAL 80 Ca 0.68 -0.41 -0.30 0.00 -2.93 0.00 0.00 61.98 59.02 2aff s VAL 80 Cb -0.37 -0.34 -0.06 0.00 -1.53 0.00 0.00 36.38 34.08 2aff s VAL 80 CO 0.45 -0.22 1.14 -0.13 -3.33 0.00 0.00 175.10 173.01 2aff s ARG 81 N -0.77 4.50 0.25 1.54 0.52 -1.26 -0.46 118.95 123.28 2aff s ARG 81 Ca -0.09 1.71 -0.28 0.00 -0.52 0.00 0.00 55.73 56.56 2aff s ARG 81 Cb -0.05 -3.33 -0.09 0.00 0.52 0.00 0.00 34.95 32.00 2aff s ARG 81 CO 0.01 -0.12 0.91 -0.51 0.02 0.00 0.00 175.30 175.61 2aff s LEU 82 N 0.55 4.55 0.08 2.53 1.43 0.46 -4.90 118.68 123.38 2aff s LEU 82 Ca 0.55 1.86 0.06 0.00 -1.03 0.00 0.00 54.13 55.57 2aff s LEU 82 Cb -0.28 -3.67 -0.03 0.00 0.03 0.00 0.00 46.19 42.24 2aff s LEU 82 CO 0.31 0.10 -0.16 -0.54 0.23 0.00 0.00 176.35 176.29 2aff s LYS 83 N -1.43 0.91 -0.11 1.70 1.02 -1.26 -4.45 119.74 116.13 2aff s LYS 83 Ca 0.43 -1.01 -0.35 0.00 0.02 0.00 0.00 55.97 55.06 2aff s LYS 83 Cb -0.23 -1.00 -0.12 0.00 -0.52 0.00 0.00 37.83 35.96 2aff s LYS 83 CO 0.29 0.23 1.88 1.58 -0.92 0.00 0.00 175.35 178.40 2aff n HIS 84 N 1.25 2.31 0.00 3.18 -0.00 -1.26 -0.04 115.22 120.66 2aff n HIS 84 Ca -0.21 0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 2aff n HIS 84 Cb 0.54 -2.65 0.00 0.00 -0.00 0.00 0.00 29.99 27.87 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 4.43 0.49 3.70 1.57 0.00 -0.83 -5.01 105.19 109.54 2aff n GLY 85 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.02 6.92 -0.14 1.61 -1.08 0.94 -4.84 116.67 118.07 2aff s ASP 86 Ca 0.00 2.11 -0.05 0.00 -0.52 0.00 0.00 52.55 54.10 2aff s ASP 86 Cb 0.00 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.85 2aff s ASP 86 CO 0.00 -0.63 0.03 -0.69 0.52 0.00 0.00 175.17 174.40 2aff s VAL 87 N 1.73 4.51 -0.20 1.11 1.01 -1.26 -1.89 120.40 125.42 2aff s VAL 87 Ca 0.62 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 2aff s VAL 87 Cb -0.32 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 2aff s VAL 87 CO 0.28 0.54 0.22 -0.63 0.00 0.00 0.00 175.10 175.50 2aff s ILE 88 N -0.23 5.34 -0.10 2.22 -1.09 -0.07 -2.21 121.20 125.07 2aff s ILE 88 Ca 0.07 0.36 0.03 0.00 -2.23 0.00 0.00 60.65 58.88 2aff s ILE 88 Cb -0.12 -3.56 0.01 0.00 -1.58 0.00 0.00 42.46 37.21 2aff s ILE 88 CO 0.02 0.38 -0.20 -0.89 -1.23 0.00 0.00 174.94 173.02 2aff s THR 89 N 0.63 1.80 -0.12 2.92 2.01 0.23 0.29 115.64 123.41 2aff s THR 89 Ca 0.12 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.29 2aff s THR 89 Cb -0.12 -1.58 0.01 0.00 0.01 0.00 0.00 72.50 70.82 2aff s THR 89 CO 0.02 0.50 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.61 2aff s ILE 90 N 0.52 1.95 0.00 1.82 1.01 0.81 -1.88 121.20 125.43 2aff s ILE 90 Ca -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.56 2aff s ILE 90 Cb -0.17 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.58 2aff s ILE 90 CO 0.06 0.53 0.00 -0.38 0.00 0.00 0.00 174.94 175.15 2aff n ILE 91 N 3.88 0.00 -0.81 2.92 2.08 -1.26 0.33 119.36 126.50 2aff n ILE 91 Ca -0.20 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.19 2aff n ILE 91 Cb 0.52 0.00 0.13 0.00 -0.75 0.00 0.00 39.64 39.54 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 2.25 2.56 -4.20 4.38 2.03 -1.26 -5.00 116.55 117.31 2aff n ASP 92 Ca 0.00 -2.82 -0.25 0.00 0.52 0.00 0.00 54.79 52.24 2aff n ASP 92 Cb 0.00 -0.36 -0.15 0.00 -0.72 0.00 0.00 41.12 39.89 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 -2.42 1.42 0.03 -0.67 0.52 0.98 -4.32 118.95 114.49 2aff s ARG 93 Ca 0.27 -0.77 -0.00 0.00 -0.52 0.00 0.00 55.73 54.71 2aff s ARG 93 Cb 0.23 -1.43 -0.03 0.00 0.52 0.00 0.00 34.95 34.24 2aff s ARG 93 CO 0.04 0.38 -0.03 0.45 0.02 0.00 0.00 175.30 176.17 2aff s SER 94 N -0.75 0.31 -0.11 0.23 0.15 -1.26 0.28 113.70 112.55 2aff s SER 94 Ca 0.07 -0.64 0.01 0.00 0.70 0.00 0.00 55.95 56.10 2aff s SER 94 Cb -0.08 0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.38 2aff s SER 94 CO 0.00 -0.39 -0.14 -0.36 1.20 0.00 0.00 173.24 173.56 2aff s PHE 95 N -2.16 1.87 -0.01 3.44 0.40 0.15 -1.13 117.98 120.54 2aff s PHE 95 Ca -0.09 -0.88 -0.21 0.00 -0.60 0.00 0.00 56.93 55.14 2aff s PHE 95 Cb -0.05 -1.37 -0.05 0.00 0.51 0.00 0.00 43.02 42.06 2aff s PHE 95 CO -0.04 -0.47 0.63 1.03 0.70 0.00 0.00 175.22 177.08 2aff s ARG 96 N 1.05 4.36 -0.22 0.44 0.52 -0.01 -0.89 118.95 124.21 2aff s ARG 96 Ca -0.06 0.79 -0.13 0.00 -0.52 0.00 0.00 55.73 55.82 2aff s ARG 96 Cb -0.15 -3.36 -0.05 0.00 0.52 0.00 0.00 34.95 31.92 2aff s ARG 96 CO -0.02 0.31 0.25 -0.47 0.02 0.00 0.00 175.30 175.39 2aff s TYR 97 N -0.01 3.36 -0.08 -0.53 5.04 -0.79 -1.57 117.35 122.76 2aff s TYR 97 Ca 0.33 0.40 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 2aff s TYR 97 Cb -0.18 -2.36 0.02 0.00 0.35 0.00 0.00 41.96 39.79 2aff s TYR 97 CO 0.18 0.07 -0.07 -1.21 -1.34 0.00 0.00 175.55 173.18 2aff s GLU 98 N 1.05 1.32 0.00 4.97 2.02 -0.50 -1.96 118.70 125.60 2aff s GLU 98 Ca 0.12 -0.22 0.20 0.00 0.02 0.00 0.00 54.97 55.10 2aff s GLU 98 Cb -0.14 -1.32 0.57 0.00 0.10 0.00 0.00 34.13 33.35 2aff s GLU 98 CO 0.05 -0.16 1.48 0.27 0.02 0.00 0.00 175.26 176.92 2aff n ASN 99 N 4.52 3.74 -0.88 -0.19 6.94 -1.26 -0.78 115.26 127.35 2aff n ASN 99 Ca -0.17 -2.00 0.11 0.00 -0.02 0.00 0.00 54.58 52.51 2aff n ASN 99 Cb 0.51 -0.43 0.09 0.00 -2.36 0.00 0.00 39.78 37.58 2aff n ASN 99 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44