#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 1.44 -3.46 3.45 -2.24 -1.26 -4.94 114.28 107.28 2aff n THR 4 Ca 0.00 -0.43 -0.37 0.00 -2.27 0.00 0.00 64.05 60.98 2aff n THR 4 Cb 0.00 -1.69 -0.06 0.00 -2.10 0.00 0.00 70.33 66.47 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 -2.49 4.20 0.01 -0.78 0.52 -1.26 -1.92 118.95 117.23 2aff s ARG 5 Ca -0.36 0.28 0.03 0.00 -0.52 0.00 0.00 55.73 55.16 2aff s ARG 5 Cb 0.12 -3.38 -0.01 0.00 0.52 0.00 0.00 34.95 32.20 2aff s ARG 5 CO 0.50 0.31 -0.08 1.03 0.02 0.00 0.00 175.30 177.08 2aff s ARG 6 N 0.18 0.63 -0.13 3.54 0.52 -0.46 -1.90 118.95 121.33 2aff s ARG 6 Ca 0.21 -0.38 -0.01 0.00 -0.52 0.00 0.00 55.73 55.03 2aff s ARG 6 Cb -0.14 -0.58 -0.02 0.00 0.52 0.00 0.00 34.95 34.72 2aff s ARG 6 CO 0.08 0.15 -0.09 -1.17 0.02 0.00 0.00 175.30 174.29 2aff s LEU 7 N -0.46 2.95 -0.16 2.53 2.96 -0.91 -1.95 118.68 123.64 2aff s LEU 7 Ca 0.01 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 53.65 2aff s LEU 7 Cb -0.04 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2aff s LEU 7 CO -0.00 0.19 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.53 2aff s VAL 8 N 0.20 4.23 -0.35 1.68 1.01 -0.69 0.13 120.40 126.61 2aff s VAL 8 Ca -0.06 -0.24 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 2aff s VAL 8 Cb -0.15 -2.87 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 2aff s VAL 8 CO 0.04 0.49 0.55 -0.89 0.00 0.00 0.00 175.10 175.28 2aff s THR 9 N 0.32 4.98 0.28 3.92 2.01 -0.77 -1.80 115.64 124.57 2aff s THR 9 Ca -0.01 0.43 -0.26 0.00 0.31 0.00 0.00 61.69 62.15 2aff s THR 9 Cb -0.13 -3.99 -0.09 0.00 0.01 0.00 0.00 72.50 68.29 2aff s THR 9 CO 0.02 -0.23 0.91 -0.63 -0.69 0.00 0.00 174.62 174.00 2aff s ILE 10 N 2.47 4.22 0.45 1.82 1.01 -0.96 -2.56 121.20 127.66 2aff s ILE 10 Ca 0.20 1.84 -0.11 0.00 0.00 0.00 0.00 60.65 62.59 2aff s ILE 10 Cb -0.15 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 38.16 2aff s ILE 10 CO 0.13 0.29 0.83 -0.54 0.00 0.00 0.00 174.94 175.65 2aff s LYS 11 N -1.71 3.75 0.37 2.79 1.02 0.31 -4.58 119.74 121.69 2aff s LYS 11 Ca 0.46 0.53 0.06 0.00 0.02 0.00 0.00 55.97 57.03 2aff s LYS 11 Cb -0.21 -2.32 0.76 0.00 -0.52 0.00 0.00 37.83 35.54 2aff s LYS 11 CO 0.26 -0.15 1.98 -0.09 -0.92 0.00 0.00 175.35 176.43 2aff h ARG 12 N 0.89 0.71 0.00 1.68 2.43 -1.86 0.19 114.38 118.42 2aff h ARG 12 Ca -0.47 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 2aff h ARG 12 Cb 1.19 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2aff h ARG 12 CO 0.63 0.47 -0.07 1.03 -1.51 0.00 0.00 179.97 180.52 2aff h SER 13 N 0.73 0.00 0.00 -3.80 0.87 -1.93 -3.46 113.55 105.96 2aff h SER 13 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2aff h SER 13 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2aff h SER 13 CO -0.08 0.07 0.00 0.61 -0.53 0.00 0.00 176.83 176.89 2aff n GLY 14 N -0.21 1.94 3.30 5.77 0.00 0.65 -5.12 105.19 111.53 2aff n GLY 14 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 2.43 0.03 1.61 1.01 -1.23 -4.83 120.40 117.42 2aff s VAL 15 Ca 0.00 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 2aff s VAL 15 Cb 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2aff s VAL 15 CO 0.00 0.56 1.00 -0.62 0.00 0.00 0.00 175.10 176.04 2aff s ASP 16 N 0.05 7.36 0.00 3.32 -1.08 -1.26 0.12 116.67 125.17 2aff s ASP 16 Ca -0.08 1.73 0.00 0.00 -0.52 0.00 0.00 52.55 53.67 2aff s ASP 16 Cb -0.15 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 2aff s ASP 16 CO 0.05 -0.25 0.00 0.61 0.52 0.00 0.00 175.17 176.10 2aff n GLY 17 N 2.82 2.18 3.77 2.66 0.00 -1.06 -4.92 105.19 110.64 2aff n GLY 17 Ca 0.06 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 1.87 3.97 0.03 1.61 0.04 -1.26 -4.82 135.00 136.44 2aff s PRO 18 Ca 0.00 1.76 0.04 0.00 0.04 0.00 0.00 61.00 62.83 2aff s PRO 18 Cb 0.00 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 2aff s PRO 18 CO 0.00 -0.36 -0.06 -3.38 0.04 0.00 0.00 177.00 173.24 2aff s HIS 19 N -1.50 2.90 -0.57 0.56 -3.43 -1.26 -1.85 115.29 110.14 2aff s HIS 19 Ca 0.59 -0.04 -0.02 0.00 -0.80 0.00 0.00 55.06 54.80 2aff s HIS 19 Cb -0.28 -1.59 0.15 0.00 -1.43 0.00 0.00 32.58 29.43 2aff s HIS 19 CO 0.35 0.40 0.36 0.12 -2.00 0.00 0.00 174.74 173.98 2aff s PHE 20 N -1.07 3.41 0.20 0.38 5.36 0.34 -4.96 117.98 121.65 2aff s PHE 20 Ca 0.19 -2.75 -0.32 0.00 -0.96 0.00 0.00 56.93 53.08 2aff s PHE 20 Cb -0.11 -3.14 -0.12 0.00 -0.34 0.00 0.00 43.02 39.31 2aff s PHE 20 CO 0.10 -0.85 1.69 -2.30 -1.46 0.00 0.00 175.22 172.40 2aff n PRO 21 N 3.62 2.64 -2.87 10.12 -0.02 -1.26 -2.14 135.00 145.09 2aff n PRO 21 Ca 0.06 0.95 -0.44 0.00 -2.02 0.00 0.00 63.50 62.05 2aff n PRO 21 Cb 0.38 -2.78 -0.01 0.00 -0.02 0.00 0.00 33.50 31.06 2aff n PRO 21 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2aff s LEU 22 N 1.10 4.79 0.01 2.45 1.43 -0.80 -4.69 118.68 122.97 2aff s LEU 22 Ca 0.76 -2.45 0.25 0.00 -1.03 0.00 0.00 54.13 51.66 2aff s LEU 22 Cb -0.54 -2.43 0.49 0.00 0.03 0.00 0.00 46.19 43.73 2aff s LEU 22 CO 0.34 -0.98 1.41 -1.54 0.23 0.00 0.00 176.35 175.80 2aff n SER 23 N 6.56 0.51 -4.85 2.29 3.41 -1.26 -4.62 113.62 115.66 2aff n SER 23 Ca 0.33 -0.21 -0.33 0.00 -0.26 0.00 0.00 58.87 58.40 2aff n SER 23 Cb 0.46 0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.60 2aff n SER 23 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2aff s LEU 24 N -3.10 4.13 0.42 1.04 1.43 -1.26 -4.99 118.68 116.34 2aff s LEU 24 Ca 0.11 0.23 0.29 0.00 -1.03 0.00 0.00 54.13 53.73 2aff s LEU 24 Cb 0.17 -2.50 1.26 0.00 0.03 0.00 0.00 46.19 45.15 2aff s LEU 24 CO 0.70 0.25 1.87 0.77 0.23 0.00 0.00 176.35 180.17 2aff h SER 25 N 3.81 0.00 -3.48 2.29 4.64 -1.91 -3.42 113.55 115.48 2aff h SER 25 Ca -0.48 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.33 2aff h SER 25 Cb 1.18 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.94 2aff h SER 25 CO 0.67 0.00 -0.81 -0.89 -0.87 0.00 0.00 176.83 174.92 2aff s THR 26 N -3.54 1.12 -0.14 2.95 2.01 -1.26 -0.69 115.64 116.08 2aff s THR 26 Ca 0.02 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.54 2aff s THR 26 Cb 0.09 -1.02 0.03 0.00 0.01 0.00 0.00 72.50 71.61 2aff s THR 26 CO 0.45 0.35 -0.12 0.00 -0.69 0.00 0.00 174.62 174.61 2aff s LEU 28 N 1.55 2.43 -0.07 0.00 2.96 -1.26 -0.09 118.68 124.20 2aff s LEU 28 Ca 0.04 -0.43 -0.00 0.00 -0.22 0.00 0.00 54.13 53.52 2aff s LEU 28 Cb -0.13 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2aff s LEU 28 CO -0.10 0.17 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.70 2aff s PHE 29 N 0.33 3.03 -5.00 5.38 0.40 0.18 -0.22 117.98 122.08 2aff s PHE 29 Ca -0.14 0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 2aff s PHE 29 Cb -0.17 -1.73 0.00 0.00 0.51 0.00 0.00 43.02 41.63 2aff s PHE 29 CO 0.07 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.79 2aff n GLY 30 N 2.12 -1.44 0.17 4.36 0.00 -0.86 -2.47 105.19 107.08 2aff n GLY 30 Ca -0.18 -1.50 -0.04 0.00 0.00 0.00 0.00 46.02 44.30 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 2.00 0.23 -6.50 1.61 3.08 -1.28 -2.83 114.38 110.69 2aff h ARG 31 Ca 0.00 -0.14 -0.60 0.00 0.07 0.00 0.00 59.98 59.31 2aff h ARG 31 Cb 0.00 0.02 0.11 0.00 0.08 0.00 0.00 29.97 30.18 2aff h ARG 31 CO 0.00 0.72 0.14 0.41 -1.07 0.00 0.00 179.97 180.17 2aff n GLY 32 N 0.14 -0.23 0.25 0.04 0.00 -1.03 -4.77 105.19 99.59 2aff n GLY 32 Ca -0.02 0.31 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 1.97 1.27 0.00 -0.61 6.09 -1.91 -2.05 117.51 122.27 2aff h ILE 33 Ca -0.40 -1.18 0.00 0.00 -1.37 0.00 0.00 64.86 61.91 2aff h ILE 33 Cb 1.34 1.11 0.00 0.00 0.47 0.00 0.00 36.82 39.73 2aff h ILE 33 CO 0.60 0.41 0.19 -0.08 -3.07 0.00 0.00 178.15 176.20 2aff h GLU 34 N 0.69 0.00 -6.77 2.19 4.81 -1.97 -3.42 114.58 110.12 2aff h GLU 34 Ca 0.12 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.82 2aff h GLU 34 Cb 0.61 0.00 0.05 0.00 0.63 0.00 0.00 28.75 30.05 2aff h GLU 34 CO 0.04 0.00 0.70 0.00 -0.73 0.00 0.00 179.01 179.02 2aff h ASP 36 N 4.65 0.42 -3.14 0.00 3.32 -0.85 -3.38 116.42 117.44 2aff h ASP 36 Ca -0.47 -0.04 -0.59 0.00 0.02 0.00 0.00 57.03 55.95 2aff h ASP 36 Cb 1.22 -0.11 -0.36 0.00 0.22 0.00 0.00 39.33 40.30 2aff h ASP 36 CO 0.74 0.39 -0.83 -0.63 -1.72 0.00 0.00 179.24 177.19 2aff s ILE 37 N -5.25 1.51 -0.15 0.35 1.01 0.08 -4.94 121.20 113.82 2aff s ILE 37 Ca -0.08 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 2aff s ILE 37 Cb 0.17 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 2aff s ILE 37 CO 0.74 0.43 0.05 -0.60 0.00 0.00 0.00 174.94 175.55 2aff s ARG 38 N 1.51 3.68 -0.11 2.79 3.52 -1.26 -2.03 118.95 127.05 2aff s ARG 38 Ca 0.05 -0.36 0.03 0.00 -0.13 0.00 0.00 55.73 55.32 2aff s ARG 38 Cb -0.13 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 2aff s ARG 38 CO -0.10 0.41 -0.22 0.42 -0.81 0.00 0.00 175.30 175.00 2aff s ILE 39 N -0.05 2.17 -0.04 4.11 1.01 -1.07 -4.97 121.20 122.37 2aff s ILE 39 Ca 0.05 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.73 2aff s ILE 39 Cb -0.12 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.51 2aff s ILE 39 CO 0.01 0.55 0.80 0.00 0.00 0.00 0.00 174.94 176.31 2aff n GLN 40 N 3.62 0.82 -3.42 2.79 6.02 -1.26 -4.33 117.38 121.62 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 -1.10 -0.07 0.00 1.02 0.00 0.00 30.24 30.62 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 4.24 0.02 1.08 1.43 -1.26 -4.96 118.68 119.23 2aff s LEU 41 Ca 0.00 0.63 0.19 0.00 -1.03 0.00 0.00 54.13 53.92 2aff s LEU 41 Cb 0.00 -2.53 0.81 0.00 0.03 0.00 0.00 46.19 44.50 2aff s LEU 41 CO 0.00 0.02 1.61 -0.81 0.23 0.00 0.00 176.35 177.40 2aff n PRO 42 N 3.81 0.02 -0.08 1.29 -0.04 -1.26 -2.42 135.00 136.30 2aff n PRO 42 Ca -0.09 0.19 0.06 0.00 -0.04 0.00 0.00 63.50 63.62 2aff n PRO 42 Cb 0.52 -1.53 0.10 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.55 0.42 -3.09 0.52 0.24 -1.26 -4.91 118.33 108.70 2aff n VAL 43 Ca 0.04 -0.71 -0.43 0.00 -2.04 0.00 0.00 64.34 61.20 2aff n VAL 43 Cb 0.22 0.94 -0.06 0.00 -1.47 0.00 0.00 33.84 33.47 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 -1.02 4.78 0.39 3.34 1.01 -1.02 -4.89 120.40 123.00 2aff s VAL 44 Ca 0.19 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 2aff s VAL 44 Cb 0.12 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 2aff s VAL 44 CO 0.16 -0.72 -0.20 -1.20 0.00 0.00 0.00 175.10 173.14 2aff n SER 45 N 6.39 -2.65 -0.24 3.32 7.64 -1.26 -3.76 113.62 123.05 2aff n SER 45 Ca -0.03 0.31 -0.06 0.00 1.01 0.00 0.00 58.87 60.10 2aff n SER 45 Cb 0.47 -0.50 0.05 0.00 -1.01 0.00 0.00 64.21 63.22 2aff n SER 45 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2aff h LYS 46 N -0.18 0.96 0.00 1.43 1.57 -1.93 -2.56 116.57 115.86 2aff h LYS 46 Ca -0.25 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2aff h LYS 46 Cb 0.85 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2aff h LYS 46 CO 0.22 0.74 -1.15 1.04 -0.57 0.00 0.00 179.45 179.72 2aff n GLN 47 N -4.49 1.06 0.00 3.15 6.02 -1.26 -2.45 117.38 119.41 2aff n GLN 47 Ca 0.05 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2aff n GLN 47 Cb 0.11 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.25 2aff n GLN 47 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2aff n HIS 48 N -1.65 0.00 -4.50 1.08 -0.00 -1.08 -3.81 115.22 105.26 2aff n HIS 48 Ca -0.01 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.95 2aff n HIS 48 Cb 0.18 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.89 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 1.75 -0.07 0.00 2.20 -0.74 0.52 119.74 123.58 2aff s LYS 50 Ca -0.04 -0.48 0.04 0.00 -0.36 0.00 0.00 55.97 55.13 2aff s LYS 50 Cb -0.10 -1.45 -0.02 0.00 -1.51 0.00 0.00 37.83 34.75 2aff s LYS 50 CO 0.01 0.09 -0.18 0.42 -0.36 0.00 0.00 175.35 175.33 2aff s ILE 51 N 0.46 2.69 -0.14 5.43 1.01 0.87 0.17 121.20 131.69 2aff s ILE 51 Ca -0.11 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.72 2aff s ILE 51 Cb -0.14 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.29 2aff s ILE 51 CO 0.03 0.57 -0.21 -1.61 0.00 0.00 0.00 174.94 173.72 2aff s GLU 52 N -0.30 2.94 -0.32 2.79 2.02 -0.41 -1.96 118.70 123.46 2aff s GLU 52 Ca 0.01 -0.82 -0.09 0.00 0.02 0.00 0.00 54.97 54.09 2aff s GLU 52 Cb -0.13 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.73 2aff s GLU 52 CO 0.03 -0.01 0.15 0.42 0.02 0.00 0.00 175.26 175.86 2aff s ILE 53 N 0.81 4.45 0.01 -1.63 1.01 0.13 -0.78 121.20 125.21 2aff s ILE 53 Ca -0.07 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.04 2aff s ILE 53 Cb -0.16 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 2aff s ILE 53 CO -0.02 0.00 -0.10 -1.00 0.00 0.00 0.00 174.94 173.83 2aff s HIS 54 N 1.57 2.80 0.56 3.97 3.76 0.11 -4.91 115.29 123.15 2aff s HIS 54 Ca 0.04 -0.09 0.31 0.00 -0.15 0.00 0.00 55.06 55.16 2aff s HIS 54 Cb -0.18 -1.57 1.06 0.00 1.11 0.00 0.00 32.58 33.00 2aff s HIS 54 CO 0.05 0.34 1.29 -1.91 -0.85 0.00 0.00 174.74 173.66 2aff n GLU 55 N 1.55 0.01 0.05 1.40 2.13 -1.26 0.54 120.64 125.06 2aff n GLU 55 Ca -0.15 0.98 -0.02 0.00 0.66 0.00 0.00 57.16 58.62 2aff n GLU 55 Cb 0.52 -2.39 -0.01 0.00 0.27 0.00 0.00 31.44 29.83 2aff n GLU 55 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2aff h GLN 56 N 0.00 -0.13 0.00 5.31 5.75 -2.00 -3.50 115.11 120.54 2aff h GLN 56 Ca 0.57 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 59.08 2aff h GLN 56 Cb 2.98 0.03 0.00 0.00 1.07 0.00 0.00 27.48 31.56 2aff h GLN 56 CO -0.01 -0.09 0.00 -0.85 -2.65 0.00 0.00 178.83 175.24 2aff n GLU 57 N -2.61 0.00 -4.18 1.69 0.28 0.19 -5.15 120.64 110.85 2aff n GLU 57 Ca -0.02 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.64 2aff n GLU 57 Cb 0.05 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 32.79 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 2.90 -0.14 -1.84 0.00 -1.26 0.04 121.76 120.46 2aff s ALA 58 Ca 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 2aff s ALA 58 Cb 0.00 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 2aff s ALA 58 CO 0.00 -0.11 -0.12 0.42 0.00 0.00 0.00 175.76 175.95 2aff s ILE 59 N 0.94 3.13 -0.19 0.00 1.01 0.04 0.13 121.20 126.26 2aff s ILE 59 Ca 0.00 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 2aff s ILE 59 Cb -0.15 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 2aff s ILE 59 CO 0.01 0.52 0.35 -0.22 0.00 0.00 0.00 174.94 175.60 2aff s LEU 60 N 0.43 4.18 -0.08 2.97 2.96 0.18 -1.28 118.68 128.03 2aff s LEU 60 Ca -0.09 0.49 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 2aff s LEU 60 Cb -0.16 -2.45 -0.02 0.00 0.50 0.00 0.00 46.19 44.06 2aff s LEU 60 CO 0.05 -0.02 -0.13 -1.00 -1.32 0.00 0.00 176.35 173.93 2aff s HIS 61 N 1.04 2.76 -0.48 5.38 3.76 0.13 -0.94 115.29 126.93 2aff s HIS 61 Ca 0.18 -0.34 -0.18 0.00 -0.15 0.00 0.00 55.06 54.56 2aff s HIS 61 Cb -0.14 -1.72 0.05 0.00 1.11 0.00 0.00 32.58 31.88 2aff s HIS 61 CO 0.07 0.03 0.54 1.21 -0.85 0.00 0.00 174.74 175.74 2aff s ASN 62 N -0.30 6.21 0.00 1.40 2.47 -1.26 -1.79 114.94 121.67 2aff s ASN 62 Ca 0.02 -0.91 0.21 0.00 0.42 0.00 0.00 52.86 52.61 2aff s ASN 62 Cb -0.13 -2.26 -0.15 0.00 -1.45 0.00 0.00 41.25 37.27 2aff s ASN 62 CO 0.03 -0.77 0.96 0.49 -3.72 0.00 0.00 177.10 174.08 2aff n PHE 63 N 5.87 0.00 -2.19 0.43 3.01 -0.36 -4.86 117.46 119.37 2aff n PHE 63 Ca -0.08 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.98 2aff n PHE 63 Cb 0.46 -0.02 -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 -1.12 1.01 0.00 0.00 176.76 176.65 2aff s SER 64 N -2.95 5.70 0.00 4.37 0.01 -0.56 -4.62 113.70 115.65 2aff s SER 64 Ca 0.09 0.39 0.29 0.00 1.31 0.00 0.00 55.95 58.02 2aff s SER 64 Cb 0.16 -2.54 1.18 0.00 0.21 0.00 0.00 66.02 65.03 2aff s SER 64 CO 0.83 -2.03 1.82 -1.54 0.41 0.00 0.00 173.24 172.72 2aff n SER 65 N 11.14 1.00 -0.05 2.44 3.41 -1.26 -3.41 113.62 126.89 2aff n SER 65 Ca 0.17 -1.16 -0.06 0.00 -0.26 0.00 0.00 58.87 57.55 2aff n SER 65 Cb 0.50 0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.34 0.57 -3.41 6.66 -2.24 -1.26 -4.92 114.28 109.34 2aff n THR 66 Ca 0.18 -0.27 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 2aff n THR 66 Cb 0.30 -0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 67.60 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 -4.57 2.02 0.53 3.42 0.01 -1.25 -5.14 114.94 109.95 2aff s ASN 67 Ca -0.10 -1.84 -0.21 0.00 -0.71 0.00 0.00 52.86 50.00 2aff s ASN 67 Cb 0.03 0.12 -0.07 0.00 0.41 0.00 0.00 41.25 41.73 2aff s ASN 67 CO 0.27 -0.29 0.99 -2.65 -1.51 0.00 0.00 177.10 173.92 2aff n PRO 68 N 4.18 1.14 -2.31 -0.60 -0.02 -1.22 -4.64 135.00 131.52 2aff n PRO 68 Ca 0.11 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 2aff n PRO 68 Cb 0.41 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 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 -1.42 3.68 -0.04 3.45 2.01 -1.26 -4.81 115.64 117.26 2aff s THR 69 Ca 0.70 1.22 -0.06 0.00 0.31 0.00 0.00 61.69 63.86 2aff s THR 69 Cb -0.47 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2aff s THR 69 CO 0.51 0.10 0.21 -1.10 -0.69 0.00 0.00 174.62 173.66 2aff s GLN 70 N 0.97 3.50 -0.04 4.92 -0.21 -0.58 -2.20 119.66 126.03 2aff s GLN 70 Ca 0.61 -0.15 0.02 0.00 0.02 0.00 0.00 55.36 55.86 2aff s GLN 70 Cb -0.33 -3.12 0.01 0.00 1.00 0.00 0.00 33.01 30.57 2aff s GLN 70 CO 0.30 0.70 -0.09 0.08 -2.12 0.00 0.00 175.29 174.16 2aff s VAL 71 N -1.22 0.83 -1.36 1.09 1.01 0.22 0.16 120.40 121.13 2aff s VAL 71 Ca 0.24 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 2aff s VAL 71 Cb -0.13 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.52 2aff s VAL 71 CO 0.13 0.27 0.37 0.59 0.00 0.00 0.00 175.10 176.46 2aff n ASN 72 N 3.56 -4.69 -1.00 3.32 3.02 -0.61 -0.16 115.26 118.70 2aff n ASN 72 Ca -0.21 -0.19 -0.09 0.00 -0.03 0.00 0.00 54.58 54.06 2aff n ASN 72 Cb 0.53 -3.87 -0.01 0.00 -0.61 0.00 0.00 39.78 35.82 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 -1.18 0.13 2.82 7.41 0.00 -1.26 -5.03 105.19 108.08 2aff n GLY 73 Ca -0.10 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.63 0.16 0.25 1.61 0.01 0.77 -5.11 113.70 108.76 2aff s SER 74 Ca 0.00 0.01 -0.30 0.00 1.31 0.00 0.00 55.95 56.97 2aff s SER 74 Cb 0.00 -0.09 -0.09 0.00 0.21 0.00 0.00 66.02 66.05 2aff s SER 74 CO 0.00 -0.08 1.18 0.54 0.41 0.00 0.00 173.24 175.29 2aff s VAL 75 N 0.73 3.37 -0.22 3.43 0.11 -1.26 0.68 120.40 127.25 2aff s VAL 75 Ca -0.06 1.28 0.01 0.00 -2.93 0.00 0.00 61.98 60.28 2aff s VAL 75 Cb -0.09 -3.82 0.03 0.00 -1.53 0.00 0.00 36.38 30.98 2aff s VAL 75 CO -0.02 0.26 -0.14 0.27 -3.33 0.00 0.00 175.10 172.14 2aff s ILE 76 N -0.69 2.25 -0.48 7.04 -4.36 -0.94 -4.92 121.20 119.10 2aff s ILE 76 Ca 0.49 -1.18 0.24 0.00 -0.26 0.00 0.00 60.65 59.93 2aff s ILE 76 Cb -0.34 -2.11 0.25 0.00 1.25 0.00 0.00 42.46 41.51 2aff s ILE 76 CO 0.41 0.29 1.53 0.44 0.24 0.00 0.00 174.94 177.85 2aff h ASP 77 N 7.90 0.00 -2.79 4.36 3.32 -1.96 -3.40 116.42 123.84 2aff h ASP 77 Ca -0.35 -0.02 -0.51 0.00 0.02 0.00 0.00 57.03 56.17 2aff h ASP 77 Cb 1.10 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.51 2aff h ASP 77 CO 0.57 0.01 -0.68 -1.83 -1.72 0.00 0.00 179.24 175.59 2aff s GLU 78 N -3.21 1.59 0.70 3.56 4.04 -1.26 -4.90 118.70 119.21 2aff s GLU 78 Ca 0.06 -1.80 -0.16 0.00 0.04 0.00 0.00 54.97 53.11 2aff s GLU 78 Cb 0.08 -1.23 0.02 0.00 0.02 0.00 0.00 34.13 33.02 2aff s GLU 78 CO 0.68 0.06 1.20 -1.25 -1.84 0.00 0.00 175.26 174.11 2aff s PRO 79 N -3.71 2.35 -0.00 -4.83 0.04 -1.26 -4.71 135.00 122.89 2aff s PRO 79 Ca 0.30 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 63.04 2aff s PRO 79 Cb 0.03 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.71 2aff s PRO 79 CO 0.12 -1.67 0.08 0.54 0.04 0.00 0.00 177.00 176.11 2aff s VAL 80 N -1.93 0.07 0.01 -0.36 0.11 -0.11 -4.98 120.40 113.21 2aff s VAL 80 Ca 0.74 -0.59 -0.30 0.00 -2.93 0.00 0.00 61.98 58.90 2aff s VAL 80 Cb -0.29 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2aff s VAL 80 CO 0.43 -0.33 1.03 -0.13 -3.33 0.00 0.00 175.10 172.77 2aff s ARG 81 N -1.07 4.53 0.10 1.54 0.52 -1.26 0.49 118.95 123.81 2aff s ARG 81 Ca -0.12 1.50 -0.24 0.00 -0.52 0.00 0.00 55.73 56.36 2aff s ARG 81 Cb -0.07 -3.43 -0.07 0.00 0.52 0.00 0.00 34.95 31.90 2aff s ARG 81 CO 0.00 -0.10 0.73 -0.51 0.02 0.00 0.00 175.30 175.44 2aff s LEU 82 N 1.03 4.53 0.09 2.53 1.43 0.34 -4.89 118.68 123.74 2aff s LEU 82 Ca 0.54 1.49 0.06 0.00 -1.03 0.00 0.00 54.13 55.19 2aff s LEU 82 Cb -0.23 -3.19 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 2aff s LEU 82 CO 0.28 0.15 -0.17 -0.54 0.23 0.00 0.00 176.35 176.31 2aff s LYS 83 N -0.73 0.96 -0.13 1.70 1.02 -1.26 -4.40 119.74 116.91 2aff s LYS 83 Ca 0.35 -1.08 -0.36 0.00 0.02 0.00 0.00 55.97 54.90 2aff s LYS 83 Cb -0.21 -1.04 -0.13 0.00 -0.52 0.00 0.00 37.83 35.93 2aff s LYS 83 CO 0.23 0.23 1.83 1.58 -0.92 0.00 0.00 175.35 178.30 2aff n HIS 84 N 1.07 2.24 0.00 3.18 -0.00 -1.26 -0.66 115.22 119.79 2aff n HIS 84 Ca -0.20 0.16 0.00 0.00 -0.00 0.00 0.00 57.72 57.68 2aff n HIS 84 Cb 0.54 -2.60 0.00 0.00 -0.00 0.00 0.00 29.99 27.93 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 4.29 2.69 3.75 1.57 0.00 -0.99 -4.96 105.19 111.53 2aff n GLY 85 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.44 6.79 -0.10 1.61 1.01 0.16 -4.81 116.67 119.89 2aff s ASP 86 Ca 0.00 2.56 0.02 0.00 0.71 0.00 0.00 52.55 55.84 2aff s ASP 86 Cb 0.00 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 2aff s ASP 86 CO 0.00 -0.58 -0.18 -0.69 0.21 0.00 0.00 175.17 173.93 2aff s VAL 87 N -0.25 2.64 -0.10 -1.27 1.01 -1.26 -1.93 120.40 119.24 2aff s VAL 87 Ca 0.56 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 2aff s VAL 87 Cb -0.39 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2aff s VAL 87 CO 0.43 0.55 0.44 -0.63 0.00 0.00 0.00 175.10 175.90 2aff s ILE 88 N 0.12 5.17 -0.12 2.22 1.01 -0.68 -1.58 121.20 127.34 2aff s ILE 88 Ca -0.09 0.89 0.02 0.00 0.00 0.00 0.00 60.65 61.47 2aff s ILE 88 Cb -0.15 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.55 2aff s ILE 88 CO 0.06 0.38 -0.17 -0.89 0.00 0.00 0.00 174.94 174.31 2aff s THR 89 N 0.30 1.69 -0.19 2.92 2.01 0.42 -0.22 115.64 122.57 2aff s THR 89 Ca 0.24 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 2aff s THR 89 Cb -0.15 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.82 2aff s THR 89 CO 0.10 0.48 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.84 2aff s ILE 90 N 0.98 3.59 0.00 1.82 1.01 0.77 -1.52 121.20 127.86 2aff s ILE 90 Ca -0.05 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2aff s ILE 90 Cb -0.15 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.71 2aff s ILE 90 CO -0.03 0.45 0.00 -0.38 0.00 0.00 0.00 174.94 174.98 2aff n ILE 91 N 4.29 0.00 -0.10 2.92 5.41 -1.26 0.31 119.36 130.93 2aff n ILE 91 Ca -0.18 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.61 2aff n ILE 91 Cb 0.52 0.00 0.10 0.00 -0.71 0.00 0.00 39.64 39.55 2aff n ILE 91 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2aff n ASP 92 N 1.47 2.58 -4.24 4.38 8.00 -1.26 -5.01 116.55 122.48 2aff n ASP 92 Ca 0.00 -1.97 -0.25 0.00 0.71 0.00 0.00 54.79 53.28 2aff n ASP 92 Cb 0.00 -0.15 -0.14 0.00 -0.02 0.00 0.00 41.12 40.81 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2aff s ARG 93 N -0.98 1.38 0.03 -1.24 0.52 0.91 -4.77 118.95 114.80 2aff s ARG 93 Ca 0.15 -0.89 -0.00 0.00 -0.52 0.00 0.00 55.73 54.47 2aff s ARG 93 Cb 0.08 -1.47 -0.03 0.00 0.52 0.00 0.00 34.95 34.06 2aff s ARG 93 CO 0.11 0.38 -0.03 -1.12 0.02 0.00 0.00 175.30 174.65 2aff s SER 94 N -1.07 0.32 -0.13 0.23 0.01 -1.26 0.27 113.70 112.07 2aff s SER 94 Ca 0.07 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.71 2aff s SER 94 Cb -0.09 0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.29 2aff s SER 94 CO 0.01 -0.37 -0.13 -0.36 0.41 0.00 0.00 173.24 172.80 2aff s PHE 95 N -2.06 1.98 -0.04 2.43 0.40 0.70 -2.28 117.98 119.10 2aff s PHE 95 Ca -0.10 -1.04 -0.30 0.00 -0.60 0.00 0.00 56.93 54.90 2aff s PHE 95 Cb -0.06 -1.47 -0.02 0.00 0.51 0.00 0.00 43.02 41.98 2aff s PHE 95 CO -0.03 -0.57 0.98 0.50 0.70 0.00 0.00 175.22 176.79 2aff s ARG 96 N 1.34 4.50 -0.23 0.44 3.52 -0.75 -1.68 118.95 126.09 2aff s ARG 96 Ca 0.01 1.38 -0.13 0.00 -0.13 0.00 0.00 55.73 56.86 2aff s ARG 96 Cb -0.13 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 2aff s ARG 96 CO -0.07 -0.15 0.28 -0.47 -0.81 0.00 0.00 175.30 174.08 2aff s TYR 97 N 1.39 3.32 -0.10 5.12 5.04 -0.81 -1.71 117.35 129.60 2aff s TYR 97 Ca 0.50 0.38 0.02 0.00 -2.44 0.00 0.00 57.07 55.53 2aff s TYR 97 Cb -0.20 -2.42 0.02 0.00 0.35 0.00 0.00 41.96 39.71 2aff s TYR 97 CO 0.24 -0.03 -0.14 -1.21 -1.34 0.00 0.00 175.55 173.07 2aff s GLU 98 N 1.37 2.03 -0.27 4.97 2.02 -0.82 -2.35 118.70 125.65 2aff s GLU 98 Ca 0.13 -0.49 -0.02 0.00 0.02 0.00 0.00 54.97 54.60 2aff s GLU 98 Cb -0.14 -1.76 0.03 0.00 0.10 0.00 0.00 34.13 32.36 2aff s GLU 98 CO 0.07 -0.07 -0.03 1.21 0.02 0.00 0.00 175.26 176.46 2aff s ASN 99 N 1.01 4.56 0.00 -0.19 3.84 -1.26 -1.35 114.94 121.54 2aff s ASN 99 Ca -0.07 -0.96 0.11 0.00 0.21 0.00 0.00 52.86 52.15 2aff s ASN 99 Cb -0.15 -1.70 0.08 0.00 -0.55 0.00 0.00 41.25 38.93 2aff s ASN 99 CO -0.01 -0.17 0.84 -0.62 -2.79 0.00 0.00 177.10 174.34