#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 1.52 -3.37 3.45 -2.24 -1.26 -4.90 114.28 107.49 2aff n THR 4 Ca 0.00 -0.44 -0.38 0.00 -2.27 0.00 0.00 64.05 60.97 2aff n THR 4 Cb 0.00 -1.74 -0.06 0.00 -2.10 0.00 0.00 70.33 66.42 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 -2.51 4.30 0.03 -0.78 0.52 -1.26 -0.60 118.95 118.64 2aff s ARG 5 Ca -0.37 0.34 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 2aff s ARG 5 Cb 0.13 -3.45 -0.02 0.00 0.52 0.00 0.00 34.95 32.13 2aff s ARG 5 CO 0.53 0.14 -0.09 1.03 0.02 0.00 0.00 175.30 176.93 2aff s ARG 6 N 0.72 0.64 -0.07 3.54 0.52 -0.48 -1.36 118.95 122.46 2aff s ARG 6 Ca 0.23 -0.58 0.03 0.00 -0.52 0.00 0.00 55.73 54.89 2aff s ARG 6 Cb -0.15 -0.55 -0.02 0.00 0.52 0.00 0.00 34.95 34.76 2aff s ARG 6 CO 0.08 0.13 -0.16 -0.51 0.02 0.00 0.00 175.30 174.86 2aff s LEU 7 N -0.98 2.59 -0.17 2.53 1.43 -0.88 -1.33 118.68 121.87 2aff s LEU 7 Ca -0.02 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 2aff s LEU 7 Cb -0.07 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 2aff s LEU 7 CO 0.00 0.28 -0.03 -0.69 0.23 0.00 0.00 176.35 176.14 2aff s VAL 8 N -0.32 3.77 0.30 -1.59 1.01 -0.79 -0.86 120.40 121.92 2aff s VAL 8 Ca 0.02 -0.39 -0.28 0.00 0.00 0.00 0.00 61.98 61.34 2aff s VAL 8 Cb -0.13 -2.67 -0.09 0.00 0.00 0.00 0.00 36.38 33.49 2aff s VAL 8 CO 0.02 0.47 1.01 -0.89 0.00 0.00 0.00 175.10 175.71 2aff s THR 9 N 0.70 3.84 -0.11 3.92 2.01 -0.91 -1.62 115.64 123.46 2aff s THR 9 Ca -0.02 1.70 -0.01 0.00 0.31 0.00 0.00 61.69 63.67 2aff s THR 9 Cb -0.14 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 2aff s THR 9 CO 0.02 0.29 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.54 2aff s ILE 10 N -1.36 3.68 0.44 1.82 1.01 -0.72 -1.97 121.20 124.10 2aff s ILE 10 Ca 0.47 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 2aff s ILE 10 Cb -0.26 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 2aff s ILE 10 CO 0.32 0.54 0.73 -0.54 0.00 0.00 0.00 174.94 176.00 2aff s LYS 11 N -0.13 3.58 0.45 2.79 1.02 0.12 -4.34 119.74 123.22 2aff s LYS 11 Ca 0.02 0.15 0.14 0.00 0.02 0.00 0.00 55.97 56.30 2aff s LYS 11 Cb -0.13 -2.44 1.08 0.00 -0.52 0.00 0.00 37.83 35.81 2aff s LYS 11 CO 0.03 -0.10 2.02 0.00 -0.92 0.00 0.00 175.35 176.38 2aff h ARG 12 N 0.57 0.32 0.00 1.68 3.08 -1.87 0.59 114.38 118.75 2aff h ARG 12 Ca -0.47 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2aff h ARG 12 Cb 1.20 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2aff h ARG 12 CO 0.62 0.21 0.00 0.43 -1.07 0.00 0.00 179.97 180.17 2aff n SER 13 N -4.47 0.00 -0.04 7.04 7.64 -1.26 -4.86 113.62 117.67 2aff n SER 13 Ca 0.07 0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2aff n SER 13 Cb 0.31 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.98 1.16 3.42 0.23 0.00 0.21 -5.08 105.19 106.10 2aff n GLY 14 Ca 0.11 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.08 3.16 0.22 1.61 1.01 -1.23 -4.81 120.40 118.28 2aff s VAL 15 Ca 0.00 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 2aff s VAL 15 Cb 0.00 -2.31 -0.08 0.00 0.00 0.00 0.00 36.38 33.99 2aff s VAL 15 CO 0.00 0.54 1.14 -1.81 0.00 0.00 0.00 175.10 174.97 2aff s ASP 16 N 0.01 7.20 0.00 3.32 1.01 -1.26 0.14 116.67 127.09 2aff s ASP 16 Ca -0.04 2.21 0.00 0.00 0.71 0.00 0.00 52.55 55.43 2aff s ASP 16 Cb -0.14 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.17 2aff s ASP 16 CO 0.04 -0.25 0.00 0.61 0.21 0.00 0.00 175.17 175.78 2aff n GLY 17 N 1.78 3.14 3.78 0.21 0.00 -0.83 -4.93 105.19 108.34 2aff n GLY 17 Ca 0.02 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 3.29 3.54 -0.16 1.61 0.04 -1.26 -4.71 135.00 137.34 2aff s PRO 18 Ca 0.00 1.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.53 2aff s PRO 18 Cb 0.00 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2aff s PRO 18 CO 0.00 -0.68 -0.07 -3.38 0.04 0.00 0.00 177.00 172.92 2aff s HIS 19 N -1.85 2.94 -0.47 0.56 -3.43 -1.26 -2.14 115.29 109.64 2aff s HIS 19 Ca 0.70 -0.56 -0.16 0.00 -0.80 0.00 0.00 55.06 54.24 2aff s HIS 19 Cb -0.21 -1.96 0.07 0.00 -1.43 0.00 0.00 32.58 29.05 2aff s HIS 19 CO 0.24 -0.22 0.42 0.12 -2.00 0.00 0.00 174.74 173.30 2aff s PHE 20 N 0.65 3.22 0.16 0.38 5.36 -0.04 -4.92 117.98 122.78 2aff s PHE 20 Ca -0.04 -0.86 -0.30 0.00 -0.96 0.00 0.00 56.93 54.78 2aff s PHE 20 Cb -0.15 -3.18 -0.07 0.00 -0.34 0.00 0.00 43.02 39.28 2aff s PHE 20 CO 0.02 -0.81 1.09 -1.25 -1.46 0.00 0.00 175.22 172.82 2aff s PRO 21 N 1.76 4.59 -1.32 10.12 0.04 -1.26 -2.07 135.00 146.86 2aff s PRO 21 Ca 0.05 1.70 -0.07 0.00 0.04 0.00 0.00 61.00 62.72 2aff s PRO 21 Cb -0.23 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.04 2aff s PRO 21 CO 0.08 0.06 2.69 1.28 0.04 0.00 0.00 177.00 181.14 2aff n LEU 22 N 2.52 8.11 -0.00 -3.56 4.77 -0.46 -4.58 117.00 123.80 2aff n LEU 22 Ca 0.03 -4.57 -0.00 0.00 -0.03 0.00 0.00 56.01 51.44 2aff n LEU 22 Cb 0.46 -1.43 0.29 0.00 -2.33 0.00 0.00 43.42 40.41 2aff n LEU 22 CO 0.54 2.03 0.92 0.77 -1.33 0.00 0.00 177.39 180.32 2aff h SER 23 N 4.58 0.49 -3.93 -1.43 4.64 -1.92 -3.43 113.55 112.56 2aff h SER 23 Ca 0.73 -0.10 -0.48 0.00 -0.47 0.00 0.00 61.79 61.47 2aff h SER 23 Cb 0.38 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2aff h SER 23 CO 1.50 0.58 0.41 -0.76 -0.87 0.00 0.00 176.83 177.69 2aff s LEU 24 N -9.04 4.22 0.40 5.97 1.43 -1.26 -4.93 118.68 115.48 2aff s LEU 24 Ca -0.08 2.04 0.29 0.00 -1.03 0.00 0.00 54.13 55.35 2aff s LEU 24 Cb 0.15 -4.08 1.25 0.00 0.03 0.00 0.00 46.19 43.54 2aff s LEU 24 CO 0.77 -0.38 1.86 0.28 0.23 0.00 0.00 176.35 179.10 2aff h SER 25 N 2.77 0.00 -3.70 2.29 0.02 -1.90 -3.43 113.55 109.61 2aff h SER 25 Ca -0.48 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.06 2aff h SER 25 Cb 1.21 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.44 2aff h SER 25 CO 0.63 0.00 -0.78 -0.89 -1.14 0.00 0.00 176.83 174.65 2aff s THR 26 N -3.53 0.67 -0.17 -2.27 2.01 -1.26 -1.25 115.64 109.84 2aff s THR 26 Ca 0.02 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.75 2aff s THR 26 Cb 0.09 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 72.01 2aff s THR 26 CO 0.44 0.23 -0.09 0.00 -0.69 0.00 0.00 174.62 174.50 2aff s LEU 28 N 1.51 2.81 -0.17 0.00 2.96 -1.26 -0.36 118.68 124.16 2aff s LEU 28 Ca 0.01 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.56 2aff s LEU 28 Cb -0.15 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 2aff s LEU 28 CO -0.09 0.15 0.00 -0.36 -1.32 0.00 0.00 176.35 174.74 2aff s PHE 29 N 0.47 3.10 -1.89 5.38 0.40 0.12 -0.43 117.98 125.13 2aff s PHE 29 Ca -0.08 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 2aff s PHE 29 Cb -0.15 -2.02 0.00 0.00 0.51 0.00 0.00 43.02 41.35 2aff s PHE 29 CO 0.04 -0.00 0.00 0.41 0.70 0.00 0.00 175.22 176.37 2aff n GLY 30 N 3.65 -1.56 0.11 4.36 0.00 -0.83 -2.46 105.19 108.46 2aff n GLY 30 Ca -0.17 -1.05 -0.00 0.00 0.00 0.00 0.00 46.02 44.79 2aff n GLY 30 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aff h ARG 31 N 0.00 0.00 -6.79 1.61 3.08 -1.43 -3.07 114.38 107.79 2aff h ARG 31 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2aff h ARG 31 Cb 0.00 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.18 2aff h ARG 31 CO 0.00 0.65 0.33 0.41 -1.07 0.00 0.00 179.97 180.29 2aff n GLY 32 N 1.27 0.18 0.27 0.04 0.00 -1.25 -4.88 105.19 100.82 2aff n GLY 32 Ca 0.01 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 1.58 1.25 0.00 -0.61 6.09 -1.94 -1.96 117.51 121.92 2aff h ILE 33 Ca -0.47 -0.94 0.00 0.00 -1.37 0.00 0.00 64.86 62.08 2aff h ILE 33 Cb 1.32 0.76 0.00 0.00 0.47 0.00 0.00 36.82 39.37 2aff h ILE 33 CO 0.57 0.35 0.12 1.05 -3.07 0.00 0.00 178.15 177.16 2aff h GLU 34 N 0.84 0.00 -6.70 2.19 4.11 -1.97 -3.42 114.58 109.62 2aff h GLU 34 Ca 0.18 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 59.08 2aff h GLU 34 Cb 0.39 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.68 2aff h GLU 34 CO 0.01 0.00 0.75 0.00 0.07 0.00 0.00 179.01 179.84 2aff h ASP 36 N 5.41 0.70 -3.27 0.00 3.32 -1.01 -3.38 116.42 118.19 2aff h ASP 36 Ca -0.45 -0.11 -0.65 0.00 0.02 0.00 0.00 57.03 55.84 2aff h ASP 36 Cb 1.21 -0.18 -0.36 0.00 0.22 0.00 0.00 39.33 40.22 2aff h ASP 36 CO 0.80 0.68 -0.84 -0.63 -1.72 0.00 0.00 179.24 177.53 2aff s ILE 37 N -5.24 1.96 -0.13 0.35 -1.09 -0.16 -4.95 121.20 111.94 2aff s ILE 37 Ca -0.09 -1.04 -0.03 0.00 -2.23 0.00 0.00 60.65 57.25 2aff s ILE 37 Cb 0.16 -1.87 -0.03 0.00 -1.58 0.00 0.00 42.46 39.13 2aff s ILE 37 CO 0.79 0.37 -0.00 -0.13 -1.23 0.00 0.00 174.94 174.74 2aff s ARG 38 N 1.29 3.40 -0.09 2.79 0.52 -1.26 -1.97 118.95 123.64 2aff s ARG 38 Ca 0.02 -0.44 0.04 0.00 -0.52 0.00 0.00 55.73 54.83 2aff s ARG 38 Cb -0.15 -2.90 -0.00 0.00 0.52 0.00 0.00 34.95 32.42 2aff s ARG 38 CO -0.11 0.47 -0.23 0.42 0.02 0.00 0.00 175.30 175.87 2aff s ILE 39 N -0.23 1.96 -0.51 1.52 1.01 -1.16 -4.98 121.20 118.82 2aff s ILE 39 Ca 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.73 2aff s ILE 39 Cb -0.12 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.65 2aff s ILE 39 CO 0.02 0.54 0.67 0.00 0.00 0.00 0.00 174.94 176.17 2aff n GLN 40 N 3.41 0.89 -3.47 2.79 6.02 -1.26 -4.59 117.38 121.17 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 -1.25 -0.06 0.00 1.02 0.00 0.00 30.24 30.47 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 4.31 0.12 1.08 1.43 -1.26 -4.98 118.68 119.38 2aff s LEU 41 Ca 0.00 0.71 0.20 0.00 -1.03 0.00 0.00 54.13 54.01 2aff s LEU 41 Cb 0.00 -2.52 0.83 0.00 0.03 0.00 0.00 46.19 44.54 2aff s LEU 41 CO 0.00 0.13 1.63 -0.81 0.23 0.00 0.00 176.35 177.53 2aff n PRO 42 N 3.16 0.10 -0.32 1.29 -0.04 -1.26 -2.43 135.00 135.51 2aff n PRO 42 Ca -0.11 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 2aff n PRO 42 Cb 0.52 -1.68 0.28 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.86 0.83 -3.49 0.52 0.24 -1.26 -4.88 118.33 108.43 2aff n VAL 43 Ca 0.03 -0.85 -0.37 0.00 -2.04 0.00 0.00 64.34 61.11 2aff n VAL 43 Cb 0.23 0.47 -0.07 0.00 -1.47 0.00 0.00 33.84 33.01 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 -1.17 5.25 0.96 3.34 1.01 -1.02 -4.94 120.40 123.83 2aff s VAL 44 Ca 0.43 0.68 -0.14 0.00 0.00 0.00 0.00 61.98 62.94 2aff s VAL 44 Cb 0.23 -3.68 0.17 0.00 0.00 0.00 0.00 36.38 33.10 2aff s VAL 44 CO 0.30 0.41 1.19 -0.44 0.00 0.00 0.00 175.10 176.55 2aff s SER 45 N 0.24 3.09 0.23 3.32 0.01 -1.26 -4.48 113.70 114.85 2aff s SER 45 Ca 0.20 0.69 -0.05 0.00 1.31 0.00 0.00 55.95 58.10 2aff s SER 45 Cb -0.14 -1.06 0.22 0.00 0.21 0.00 0.00 66.02 65.26 2aff s SER 45 CO 0.07 -2.79 1.74 0.11 0.41 0.00 0.00 173.24 172.78 2aff h LYS 46 N -1.67 0.99 0.00 12.44 1.57 -1.93 -1.82 116.57 126.15 2aff h LYS 46 Ca -0.47 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.02 2aff h LYS 46 Cb 1.30 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2aff h LYS 46 CO 0.51 0.91 -1.38 1.04 -0.57 0.00 0.00 179.45 179.96 2aff n GLN 47 N -4.23 1.16 0.00 3.15 1.13 -1.26 -3.80 117.38 113.53 2aff n GLN 47 Ca 0.04 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2aff n GLN 47 Cb 0.27 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.45 2aff n GLN 47 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2aff n HIS 48 N -1.93 0.00 -4.43 1.08 -0.00 -1.14 -3.98 115.22 104.83 2aff n HIS 48 Ca -0.05 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.92 2aff n HIS 48 Cb 0.38 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.09 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 1.67 -0.12 0.00 2.20 -0.76 0.11 119.74 123.02 2aff s LYS 50 Ca -0.03 -0.38 -0.01 0.00 -0.36 0.00 0.00 55.97 55.19 2aff s LYS 50 Cb -0.09 -1.47 -0.02 0.00 -1.51 0.00 0.00 37.83 34.74 2aff s LYS 50 CO 0.01 -0.05 -0.09 0.42 -0.36 0.00 0.00 175.35 175.28 2aff s ILE 51 N 0.94 3.48 -0.16 5.43 1.01 0.51 0.27 121.20 132.69 2aff s ILE 51 Ca -0.09 -0.52 -0.00 0.00 0.00 0.00 0.00 60.65 60.03 2aff s ILE 51 Cb -0.15 -2.47 -0.00 0.00 0.01 0.00 0.00 42.46 39.85 2aff s ILE 51 CO 0.00 0.53 -0.14 -1.61 0.00 0.00 0.00 174.94 173.73 2aff s GLU 52 N 0.03 3.26 -0.30 2.79 2.02 0.27 -1.68 118.70 125.09 2aff s GLU 52 Ca -0.02 -0.73 -0.08 0.00 0.02 0.00 0.00 54.97 54.17 2aff s GLU 52 Cb -0.14 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.43 2aff s GLU 52 CO 0.03 0.03 0.10 0.42 0.02 0.00 0.00 175.26 175.86 2aff s ILE 53 N 0.80 4.13 0.02 -1.63 1.01 -0.38 -0.94 121.20 124.21 2aff s ILE 53 Ca -0.05 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.03 2aff s ILE 53 Cb -0.15 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 2aff s ILE 53 CO 0.00 0.08 -0.10 -1.00 0.00 0.00 0.00 174.94 173.93 2aff s HIS 54 N 1.53 2.79 0.58 3.97 3.76 0.01 -4.88 115.29 123.05 2aff s HIS 54 Ca 0.03 -0.11 0.37 0.00 -0.15 0.00 0.00 55.06 55.21 2aff s HIS 54 Cb -0.17 -1.56 1.34 0.00 1.11 0.00 0.00 32.58 33.29 2aff s HIS 54 CO 0.03 0.34 1.49 0.93 -0.85 0.00 0.00 174.74 176.69 2aff h GLU 55 N 4.48 0.00 0.08 1.40 5.08 -2.01 0.20 114.58 123.81 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 -0.04 1.96 -1.00 0.00 0.00 179.01 180.45 2aff h GLN 56 N 0.00 -0.11 0.00 2.33 4.20 -2.01 -3.49 115.11 116.03 2aff h GLN 56 Ca 0.66 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.37 2aff h GLN 56 Cb 3.10 0.02 0.00 0.00 0.30 0.00 0.00 27.48 30.90 2aff h GLN 56 CO -0.01 -0.07 0.00 -0.85 -0.67 0.00 0.00 178.83 177.23 2aff n GLU 57 N -2.38 0.00 -4.41 1.46 0.28 0.71 -5.16 120.64 111.15 2aff n GLU 57 Ca -0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.65 2aff n GLU 57 Cb 0.04 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.80 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 -1.03 3.02 -0.09 -1.84 0.00 -1.26 -0.81 121.76 119.74 2aff s ALA 58 Ca 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.18 2aff s ALA 58 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.58 2aff s ALA 58 CO 0.00 0.25 -0.23 0.42 0.00 0.00 0.00 175.76 176.20 2aff s ILE 59 N 0.26 1.94 -0.22 0.00 1.01 -0.11 0.63 121.20 124.71 2aff s ILE 59 Ca -0.03 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.57 2aff s ILE 59 Cb -0.14 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 2aff s ILE 59 CO 0.03 0.53 0.13 -0.22 0.00 0.00 0.00 174.94 175.41 2aff s LEU 60 N 0.33 4.03 -0.11 2.97 2.96 -0.08 -0.56 118.68 128.23 2aff s LEU 60 Ca -0.17 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 2aff s LEU 60 Cb -0.17 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 2aff s LEU 60 CO 0.08 0.11 -0.05 -1.00 -1.32 0.00 0.00 176.35 174.16 2aff s HIS 61 N 0.78 2.99 -0.51 5.38 3.76 0.14 -1.64 115.29 126.19 2aff s HIS 61 Ca 0.07 -0.12 -0.17 0.00 -0.15 0.00 0.00 55.06 54.69 2aff s HIS 61 Cb -0.13 -1.82 0.08 0.00 1.11 0.00 0.00 32.58 31.83 2aff s HIS 61 CO 0.02 0.18 0.50 1.21 -0.85 0.00 0.00 174.74 175.80 2aff s ASN 62 N -0.32 6.18 0.00 1.40 3.84 -1.26 -1.83 114.94 122.94 2aff s ASN 62 Ca 0.05 -1.33 0.22 0.00 0.21 0.00 0.00 52.86 52.01 2aff s ASN 62 Cb -0.12 -2.23 -0.03 0.00 -0.55 0.00 0.00 41.25 38.32 2aff s ASN 62 CO 0.02 -0.79 1.06 0.49 -2.79 0.00 0.00 177.10 175.09 2aff n PHE 63 N 5.55 0.00 -2.38 0.43 3.01 -0.01 -4.85 117.46 119.21 2aff n PHE 63 Ca -0.11 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.95 2aff n PHE 63 Cb 0.43 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.85 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 -2.72 5.87 0.11 4.37 0.15 -0.16 -4.59 113.70 116.72 2aff s SER 64 Ca 0.14 -0.23 -0.10 0.00 0.70 0.00 0.00 55.95 56.46 2aff s SER 64 Cb 0.17 -2.55 -0.15 0.00 -1.71 0.00 0.00 66.02 61.79 2aff s SER 64 CO 0.70 -2.02 1.28 0.77 1.20 0.00 0.00 173.24 175.17 2aff h SER 65 N 11.62 0.79 -0.49 5.45 4.64 -1.91 -2.87 113.55 130.78 2aff h SER 65 Ca -0.25 -0.59 -0.11 0.00 -0.47 0.00 0.00 61.79 60.36 2aff h SER 65 Cb 1.08 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 2aff h SER 65 CO 1.26 1.38 -0.12 0.71 -0.87 0.00 0.00 176.83 179.19 2aff h THR 66 N 0.39 1.27 -2.09 2.95 1.35 -1.99 -3.41 112.91 111.38 2aff h THR 66 Ca -0.09 -1.27 -0.34 0.00 -0.55 0.00 0.00 66.41 64.17 2aff h THR 66 Cb 1.55 0.99 -0.33 0.00 -1.73 0.00 0.00 68.15 68.64 2aff h THR 66 CO 0.17 0.44 -0.65 0.20 -0.25 0.00 0.00 175.52 175.44 2aff s ASN 67 N -6.67 1.52 0.57 5.36 0.01 -1.23 -5.15 114.94 109.36 2aff s ASN 67 Ca -0.11 -0.97 -0.20 0.00 -0.71 0.00 0.00 52.86 50.87 2aff s ASN 67 Cb 0.13 0.53 -0.05 0.00 0.41 0.00 0.00 41.25 42.27 2aff s ASN 67 CO 0.86 -0.36 1.11 -2.65 -1.51 0.00 0.00 177.10 174.55 2aff n PRO 68 N 5.03 1.18 -2.46 -0.60 -0.02 -1.08 -4.62 135.00 132.43 2aff n PRO 68 Ca 0.01 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 2aff n PRO 68 Cb 0.46 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 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 -1.41 3.63 -0.10 3.45 2.01 -1.26 -4.77 115.64 117.19 2aff s THR 69 Ca 0.74 1.49 -0.08 0.00 0.31 0.00 0.00 61.69 64.16 2aff s THR 69 Cb -0.43 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 2aff s THR 69 CO 0.48 0.30 0.18 -1.10 -0.69 0.00 0.00 174.62 173.79 2aff s GLN 70 N -0.80 3.51 -0.04 4.92 -0.21 -0.91 -1.88 119.66 124.25 2aff s GLN 70 Ca 0.48 -0.06 0.03 0.00 0.02 0.00 0.00 55.36 55.83 2aff s GLN 70 Cb -0.31 -3.19 0.00 0.00 1.00 0.00 0.00 33.01 30.51 2aff s GLN 70 CO 0.38 0.77 -0.11 0.08 -2.12 0.00 0.00 175.29 174.28 2aff s VAL 71 N -1.04 0.96 -1.40 1.09 1.01 0.91 0.93 120.40 122.86 2aff s VAL 71 Ca 0.17 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2aff s VAL 71 Cb -0.13 -0.85 0.05 0.00 0.00 0.00 0.00 36.38 35.45 2aff s VAL 71 CO 0.06 0.30 0.59 0.59 0.00 0.00 0.00 175.10 176.63 2aff n ASN 72 N 3.36 -4.60 -1.63 3.32 3.02 -0.54 0.21 115.26 118.40 2aff n ASN 72 Ca -0.19 -0.40 -0.14 0.00 -0.03 0.00 0.00 54.58 53.82 2aff n ASN 72 Cb 0.53 -3.75 -0.01 0.00 -0.61 0.00 0.00 39.78 35.95 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 -1.35 -0.21 2.76 7.41 0.00 -1.26 -5.01 105.19 107.54 2aff n GLY 73 Ca -0.04 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 2aff n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aff s SER 74 N -2.37 0.72 0.38 1.61 1.04 0.13 -5.12 113.70 110.08 2aff s SER 74 Ca 0.01 0.01 -0.28 0.00 0.48 0.00 0.00 55.95 56.17 2aff s SER 74 Cb -0.00 -0.20 -0.10 0.00 0.10 0.00 0.00 66.02 65.81 2aff s SER 74 CO 0.01 -0.16 1.40 0.54 0.98 0.00 0.00 173.24 176.01 2aff s VAL 75 N 1.47 2.32 -0.16 5.02 0.11 -1.26 -0.06 120.40 127.83 2aff s VAL 75 Ca -0.04 0.31 -0.00 0.00 -2.93 0.00 0.00 61.98 59.32 2aff s VAL 75 Cb -0.13 -3.19 -0.00 0.00 -1.53 0.00 0.00 36.38 31.53 2aff s VAL 75 CO -0.03 0.07 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.03 2aff s ILE 76 N -1.16 2.69 -0.12 7.04 1.01 -0.79 -4.88 121.20 125.00 2aff s ILE 76 Ca 0.53 -0.75 0.19 0.00 0.00 0.00 0.00 60.65 60.63 2aff s ILE 76 Cb -0.43 -2.15 -0.24 0.00 0.01 0.00 0.00 42.46 39.66 2aff s ILE 76 CO 0.57 0.51 0.48 -0.90 0.00 0.00 0.00 174.94 175.60 2aff n ASP 77 N 4.20 0.28 -4.42 3.58 5.75 -1.26 -4.32 116.55 120.36 2aff n ASP 77 Ca -0.19 0.12 -0.20 0.00 -0.01 0.00 0.00 54.79 54.51 2aff n ASP 77 Cb 0.51 1.11 -0.11 0.00 -1.03 0.00 0.00 41.12 41.61 2aff n ASP 77 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2aff s GLU 78 N -3.04 1.59 0.44 0.11 2.02 -1.26 -4.95 118.70 113.62 2aff s GLU 78 Ca -0.07 -1.88 -0.25 0.00 0.02 0.00 0.00 54.97 52.80 2aff s GLU 78 Cb 0.10 -0.73 -0.09 0.00 0.10 0.00 0.00 34.13 33.51 2aff s GLU 78 CO 0.85 -0.21 1.26 -2.30 0.02 0.00 0.00 175.26 174.88 2aff n PRO 79 N -0.63 1.84 -4.11 0.39 -0.02 -1.26 -4.73 135.00 126.48 2aff n PRO 79 Ca -0.02 0.66 -0.16 0.00 -2.02 0.00 0.00 63.50 61.96 2aff n PRO 79 Cb 0.66 -2.38 -0.15 0.00 -0.02 0.00 0.00 33.50 31.62 2aff n PRO 79 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2aff s VAL 80 N -1.22 0.36 0.16 -1.45 1.01 -0.65 -5.01 120.40 113.60 2aff s VAL 80 Ca 0.63 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 2aff s VAL 80 Cb -0.50 -0.33 -0.07 0.00 0.00 0.00 0.00 36.38 35.48 2aff s VAL 80 CO 0.57 0.12 1.15 -0.13 0.00 0.00 0.00 175.10 176.81 2aff s ARG 81 N 0.08 4.53 0.07 2.72 0.52 -1.26 -0.90 118.95 124.70 2aff s ARG 81 Ca -0.00 1.79 -0.23 0.00 -0.52 0.00 0.00 55.73 56.76 2aff s ARG 81 Cb -0.04 -3.27 -0.06 0.00 0.52 0.00 0.00 34.95 32.10 2aff s ARG 81 CO -0.00 -0.04 0.71 -0.51 0.02 0.00 0.00 175.30 175.47 2aff s LEU 82 N -0.12 4.49 0.11 2.53 1.43 0.21 -4.88 118.68 122.44 2aff s LEU 82 Ca 0.52 1.41 0.07 0.00 -1.03 0.00 0.00 54.13 55.10 2aff s LEU 82 Cb -0.31 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 2aff s LEU 82 CO 0.35 0.11 -0.18 -0.75 0.23 0.00 0.00 176.35 176.11 2aff s LYS 83 N -0.47 1.06 -0.05 1.70 2.20 -1.26 -4.36 119.74 118.56 2aff s LYS 83 Ca 0.35 -1.16 -0.33 0.00 -0.36 0.00 0.00 55.97 54.47 2aff s LYS 83 Cb -0.20 -1.18 -0.11 0.00 -1.51 0.00 0.00 37.83 34.82 2aff s LYS 83 CO 0.22 0.26 1.91 1.58 -0.36 0.00 0.00 175.35 178.96 2aff n HIS 84 N 0.93 2.39 0.00 4.03 -0.00 -1.26 -1.07 115.22 120.24 2aff n HIS 84 Ca -0.18 -0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.41 2aff n HIS 84 Cb 0.55 -2.71 0.00 0.00 -0.00 0.00 0.00 29.99 27.83 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 4.45 2.39 3.74 1.57 0.00 -0.60 -4.97 105.19 111.77 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 -1.60 6.98 -0.12 1.61 1.01 -0.23 -4.80 116.67 119.52 2aff s ASP 86 Ca 0.00 2.32 -0.03 0.00 0.71 0.00 0.00 52.55 55.54 2aff s ASP 86 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2aff s ASP 86 CO 0.00 -0.46 0.01 0.54 0.21 0.00 0.00 175.17 175.47 2aff s VAL 87 N 0.07 4.34 -0.16 -1.27 0.11 -1.26 -1.39 120.40 120.84 2aff s VAL 87 Ca 0.55 -0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 59.33 2aff s VAL 87 Cb -0.35 -2.87 -0.03 0.00 -1.53 0.00 0.00 36.38 31.60 2aff s VAL 87 CO 0.37 0.55 0.02 -0.63 -3.33 0.00 0.00 175.10 172.09 2aff s ILE 88 N -0.38 4.42 -0.11 7.04 1.01 -0.20 -1.47 121.20 131.51 2aff s ILE 88 Ca 0.08 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.58 2aff s ILE 88 Cb -0.12 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.40 2aff s ILE 88 CO 0.02 0.49 -0.20 -0.89 0.00 0.00 0.00 174.94 174.37 2aff s THR 89 N 0.17 1.79 -0.12 2.92 2.01 0.26 0.34 115.64 123.02 2aff s THR 89 Ca 0.02 -0.84 -0.00 0.00 0.31 0.00 0.00 61.69 61.17 2aff s THR 89 Cb -0.13 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 2aff s THR 89 CO 0.01 0.50 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.71 2aff s ILE 90 N 0.65 3.29 -0.83 1.82 1.01 0.84 -2.15 121.20 125.84 2aff s ILE 90 Ca -0.13 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.65 2aff s ILE 90 Cb -0.16 -2.38 -0.19 0.00 0.01 0.00 0.00 42.46 39.73 2aff s ILE 90 CO 0.03 0.53 2.33 -0.38 0.00 0.00 0.00 174.94 177.45 2aff n ILE 91 N 3.24 0.00 0.00 2.92 -0.00 -1.26 0.25 119.36 124.51 2aff n ILE 91 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.57 2aff n ILE 91 Cb 0.53 -0.44 0.00 0.00 -0.00 0.00 0.00 39.64 39.72 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2aff n ASP 92 N 8.95 0.00 -4.14 4.38 -0.08 -1.26 -4.98 116.55 119.41 2aff n ASP 92 Ca 0.57 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.64 2aff n ASP 92 Cb 0.02 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.34 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 0.00 1.08 0.03 -0.67 1.81 0.70 -4.63 118.95 117.27 2aff s ARG 93 Ca 0.00 -0.67 0.01 0.00 -1.72 0.00 0.00 55.73 53.35 2aff s ARG 93 Cb 0.00 -1.08 -0.02 0.00 -0.45 0.00 0.00 34.95 33.39 2aff s ARG 93 CO 0.00 0.28 -0.05 -1.54 -0.68 0.00 0.00 175.30 173.31 2aff s SER 94 N -0.80 0.54 -0.08 0.23 1.04 -1.26 0.29 113.70 113.66 2aff s SER 94 Ca 0.04 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.89 2aff s SER 94 Cb -0.07 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.15 2aff s SER 94 CO 0.01 -0.29 -0.08 -0.36 0.98 0.00 0.00 173.24 173.49 2aff s PHE 95 N -1.72 1.26 0.13 5.02 0.40 0.15 -1.76 117.98 121.46 2aff s PHE 95 Ca -0.11 -0.52 -0.25 0.00 -0.60 0.00 0.00 56.93 55.45 2aff s PHE 95 Cb -0.08 -1.03 -0.07 0.00 0.51 0.00 0.00 43.02 42.35 2aff s PHE 95 CO -0.01 -0.36 0.77 1.03 0.70 0.00 0.00 175.22 177.35 2aff s ARG 96 N 1.25 4.54 -0.32 0.44 0.52 -0.64 -1.03 118.95 123.70 2aff s ARG 96 Ca -0.04 1.13 -0.16 0.00 -0.52 0.00 0.00 55.73 56.14 2aff s ARG 96 Cb -0.14 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 32.02 2aff s ARG 96 CO -0.02 0.49 0.39 -0.47 0.02 0.00 0.00 175.30 175.70 2aff s TYR 97 N -0.82 3.21 -0.16 -0.53 5.04 -0.48 -1.88 117.35 121.73 2aff s TYR 97 Ca 0.36 0.13 0.02 0.00 -2.44 0.00 0.00 57.07 55.14 2aff s TYR 97 Cb -0.22 -2.68 0.02 0.00 0.35 0.00 0.00 41.96 39.42 2aff s TYR 97 CO 0.25 -0.39 -0.20 -1.21 -1.34 0.00 0.00 175.55 172.66 2aff s GLU 98 N 2.09 2.91 -0.38 4.97 2.02 -0.44 -1.56 118.70 128.31 2aff s GLU 98 Ca 0.14 -0.81 -0.13 0.00 0.02 0.00 0.00 54.97 54.19 2aff s GLU 98 Cb -0.16 -2.43 0.01 0.00 0.10 0.00 0.00 34.13 31.64 2aff s GLU 98 CO 0.11 -0.11 0.26 1.21 0.02 0.00 0.00 175.26 176.75 2aff s ASN 99 N 1.07 5.99 0.00 -0.19 3.84 -1.26 -1.38 114.94 123.00 2aff s ASN 99 Ca -0.01 -0.77 0.10 0.00 0.21 0.00 0.00 52.86 52.39 2aff s ASN 99 Cb -0.14 -2.12 0.57 0.00 -0.55 0.00 0.00 41.25 39.01 2aff s ASN 99 CO -0.07 -0.37 1.02 1.21 -2.79 0.00 0.00 177.10 176.10