#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 1.05 -3.16 0.52 -2.24 -1.26 -4.97 114.28 104.21 2aff n THR 4 Ca 0.00 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.29 2aff n THR 4 Cb 0.00 -1.82 -0.05 0.00 -2.10 0.00 0.00 70.33 66.36 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 -2.37 4.37 0.02 -0.78 0.52 -1.26 -0.19 118.95 119.26 2aff s ARG 5 Ca -0.22 0.73 0.01 0.00 -0.52 0.00 0.00 55.73 55.73 2aff s ARG 5 Cb 0.07 -3.40 -0.02 0.00 0.52 0.00 0.00 34.95 32.12 2aff s ARG 5 CO 0.28 0.21 -0.04 -0.98 0.02 0.00 0.00 175.30 174.79 2aff s ARG 6 N 0.36 0.33 0.03 3.54 1.70 -0.21 -1.74 118.95 122.96 2aff s ARG 6 Ca 0.32 -0.57 0.06 0.00 -0.47 0.00 0.00 55.73 55.08 2aff s ARG 6 Cb -0.17 -0.00 -0.03 0.00 -0.57 0.00 0.00 34.95 34.17 2aff s ARG 6 CO 0.16 -0.02 -0.16 -0.51 -1.08 0.00 0.00 175.30 173.69 2aff s LEU 7 N -1.30 2.70 -0.15 -1.89 1.43 -0.74 -1.70 118.68 117.03 2aff s LEU 7 Ca -0.13 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 2aff s LEU 7 Cb -0.09 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.56 2aff s LEU 7 CO -0.01 0.26 -0.17 -0.69 0.23 0.00 0.00 176.35 175.98 2aff s VAL 8 N -0.93 2.49 0.24 -1.59 1.01 -0.94 -1.11 120.40 119.58 2aff s VAL 8 Ca 0.15 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 2aff s VAL 8 Cb -0.11 -2.04 -0.09 0.00 0.00 0.00 0.00 36.38 34.14 2aff s VAL 8 CO 0.05 0.52 1.13 -0.89 0.00 0.00 0.00 175.10 175.92 2aff s THR 9 N 0.86 3.52 -0.09 3.92 2.01 -0.70 -1.82 115.64 123.35 2aff s THR 9 Ca -0.05 1.43 0.00 0.00 0.31 0.00 0.00 61.69 63.39 2aff s THR 9 Cb -0.15 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 2aff s THR 9 CO -0.01 0.30 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.50 2aff s ILE 10 N -0.74 3.54 0.29 1.82 1.01 -0.49 -1.41 121.20 125.21 2aff s ILE 10 Ca 0.47 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 2aff s ILE 10 Cb -0.32 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 2aff s ILE 10 CO 0.40 0.57 0.54 -0.54 0.00 0.00 0.00 174.94 175.91 2aff s LYS 11 N -0.46 3.61 0.61 2.79 1.02 0.59 -4.25 119.74 123.65 2aff s LYS 11 Ca 0.07 -0.05 0.33 0.00 0.02 0.00 0.00 55.97 56.33 2aff s LYS 11 Cb -0.12 -2.66 1.88 0.00 -0.52 0.00 0.00 37.83 36.41 2aff s LYS 11 CO 0.02 0.22 2.19 0.00 -0.92 0.00 0.00 175.35 176.86 2aff h ARG 12 N 1.62 0.00 0.00 1.68 3.08 -1.88 0.75 114.38 119.63 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 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2aff h ARG 12 CO 0.66 0.00 -0.10 -1.13 -1.07 0.00 0.00 179.97 178.33 2aff n SER 13 N -3.57 0.12 -0.11 7.04 3.41 -1.26 -4.90 113.62 114.35 2aff n SER 13 Ca -0.01 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 2aff n SER 13 Cb 0.20 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 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 1.49 1.12 3.20 5.00 0.00 0.26 -5.09 105.19 111.16 2aff n GLY 14 Ca 0.07 -0.38 -0.30 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 -2.22 1.80 0.30 1.61 1.01 -1.23 -4.84 120.40 116.83 2aff s VAL 15 Ca 0.00 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 2aff s VAL 15 Cb 0.00 -1.55 -0.09 0.00 0.00 0.00 0.00 36.38 34.74 2aff s VAL 15 CO 0.00 0.50 1.08 -1.81 0.00 0.00 0.00 175.10 174.87 2aff s ASP 16 N 0.11 7.21 0.00 3.32 1.01 -1.26 -0.30 116.67 126.76 2aff s ASP 16 Ca -0.09 2.20 0.00 0.00 0.71 0.00 0.00 52.55 55.37 2aff s ASP 16 Cb -0.15 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.17 2aff s ASP 16 CO 0.05 -0.18 0.00 0.61 0.21 0.00 0.00 175.17 175.86 2aff n GLY 17 N 1.07 2.87 3.77 0.21 0.00 -0.50 -4.93 105.19 107.68 2aff n GLY 17 Ca -0.00 -0.25 -0.37 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 2.90 4.01 -0.10 1.61 0.04 -1.26 -4.68 135.00 137.51 2aff s PRO 18 Ca 0.00 1.69 -0.03 0.00 0.04 0.00 0.00 61.00 62.70 2aff s PRO 18 Cb 0.00 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 2aff s PRO 18 CO 0.00 -0.32 0.03 -1.01 0.04 0.00 0.00 177.00 175.74 2aff s HIS 19 N -1.55 3.24 -0.37 0.56 3.76 -1.26 -1.72 115.29 117.95 2aff s HIS 19 Ca 0.59 0.23 -0.04 0.00 -0.15 0.00 0.00 55.06 55.69 2aff s HIS 19 Cb -0.27 -1.84 0.08 0.00 1.11 0.00 0.00 32.58 31.67 2aff s HIS 19 CO 0.33 0.48 0.15 0.12 -0.85 0.00 0.00 174.74 174.97 2aff s PHE 20 N -0.80 3.42 0.12 1.40 5.36 -0.27 -4.96 117.98 122.27 2aff s PHE 20 Ca 0.12 -2.02 -0.30 0.00 -0.96 0.00 0.00 56.93 53.77 2aff s PHE 20 Cb -0.12 -2.77 -0.07 0.00 -0.34 0.00 0.00 43.02 39.72 2aff s PHE 20 CO 0.02 -0.88 1.12 -1.25 -1.46 0.00 0.00 175.22 172.78 2aff s PRO 21 N 1.25 4.54 -1.31 10.12 0.04 -1.26 -1.80 135.00 146.57 2aff s PRO 21 Ca 0.03 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.71 2aff s PRO 21 Cb -0.22 -3.32 0.06 0.00 0.04 0.00 0.00 34.50 31.07 2aff s PRO 21 CO -0.02 -0.04 2.56 1.28 0.04 0.00 0.00 177.00 180.82 2aff n LEU 22 N 3.01 8.06 0.28 -3.56 4.77 -0.71 -4.54 117.00 124.31 2aff n LEU 22 Ca 0.05 -4.69 0.17 0.00 -0.03 0.00 0.00 56.01 51.51 2aff n LEU 22 Cb 0.47 -1.40 0.77 0.00 -2.33 0.00 0.00 43.42 40.93 2aff n LEU 22 CO 0.54 2.04 1.01 0.77 -1.33 0.00 0.00 177.39 180.42 2aff h SER 23 N 4.55 0.00 -3.55 -1.43 4.64 -1.92 -3.43 113.55 112.42 2aff h SER 23 Ca 0.71 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.51 2aff h SER 23 Cb 0.35 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 2aff h SER 23 CO 1.48 0.04 0.18 -0.76 -0.87 0.00 0.00 176.83 176.91 2aff s LEU 24 N -6.40 4.56 0.62 5.97 1.43 -1.26 -4.95 118.68 118.65 2aff s LEU 24 Ca -0.01 1.64 0.39 0.00 -1.03 0.00 0.00 54.13 55.12 2aff s LEU 24 Cb 0.10 -3.36 2.04 0.00 0.03 0.00 0.00 46.19 45.00 2aff s LEU 24 CO 0.53 0.18 2.25 0.77 0.23 0.00 0.00 176.35 180.31 2aff h SER 25 N 4.17 0.00 -3.63 2.29 4.64 -1.93 -3.42 113.55 115.67 2aff h SER 25 Ca -0.47 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.41 2aff h SER 25 Cb 1.20 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.97 2aff h SER 25 CO 0.66 0.02 -0.79 -0.89 -0.87 0.00 0.00 176.83 174.96 2aff s THR 26 N -4.13 0.80 -0.16 2.95 2.01 -1.26 -1.09 115.64 114.76 2aff s THR 26 Ca -0.04 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.64 2aff s THR 26 Cb 0.13 -0.74 0.03 0.00 0.01 0.00 0.00 72.50 71.92 2aff s THR 26 CO 0.48 0.27 -0.13 0.00 -0.69 0.00 0.00 174.62 174.55 2aff s LEU 28 N 1.48 2.52 -0.12 0.00 2.96 -1.26 -0.05 118.68 124.20 2aff s LEU 28 Ca 0.03 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 2aff s LEU 28 Cb -0.14 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 2aff s LEU 28 CO -0.10 0.14 0.01 -0.36 -1.32 0.00 0.00 176.35 174.72 2aff s PHE 29 N 0.51 3.17 -5.00 5.38 0.40 0.20 -0.18 117.98 122.45 2aff s PHE 29 Ca -0.11 0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.30 2aff s PHE 29 Cb -0.16 -1.88 0.00 0.00 0.51 0.00 0.00 43.02 41.49 2aff s PHE 29 CO 0.04 0.32 0.00 0.41 0.70 0.00 0.00 175.22 176.69 2aff n GLY 30 N 2.69 -1.24 0.08 4.36 0.00 -0.79 -2.42 105.19 107.87 2aff n GLY 30 Ca -0.18 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 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 0.38 0.04 -6.58 1.61 3.08 -1.27 -2.95 114.38 108.68 2aff h ARG 31 Ca 0.00 -0.07 -0.58 0.00 0.07 0.00 0.00 59.98 59.40 2aff h ARG 31 Cb 0.00 0.02 0.16 0.00 0.08 0.00 0.00 29.97 30.23 2aff h ARG 31 CO 0.00 0.70 -0.17 0.41 -1.07 0.00 0.00 179.97 179.85 2aff n GLY 32 N 1.54 -0.98 0.23 0.04 0.00 -0.98 -4.87 105.19 100.17 2aff n GLY 32 Ca -0.14 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 2aff n GLY 32 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2aff h ILE 33 N 0.61 1.22 0.00 -0.61 1.08 -1.91 -1.73 117.51 116.17 2aff h ILE 33 Ca -0.45 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.27 2aff h ILE 33 Cb 1.38 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.95 2aff h ILE 33 CO 0.50 0.27 0.29 -0.33 -0.69 0.00 0.00 178.15 178.19 2aff h GLU 34 N 0.63 0.00 -6.46 2.37 4.39 -1.95 -3.41 114.58 110.16 2aff h GLU 34 Ca 0.15 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.32 2aff h GLU 34 Cb 0.27 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.95 2aff h GLU 34 CO -0.01 0.00 1.15 0.00 -1.16 0.00 0.00 179.01 179.00 2aff h ASP 36 N 9.23 0.00 -3.25 0.00 3.32 -0.81 -3.38 116.42 121.52 2aff h ASP 36 Ca -0.48 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.02 2aff h ASP 36 Cb 1.23 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.43 2aff h ASP 36 CO 0.95 0.04 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.05 2aff s ILE 37 N -4.97 1.29 -0.10 0.35 1.01 -0.59 -4.96 121.20 113.23 2aff s ILE 37 Ca -0.05 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 2aff s ILE 37 Cb 0.17 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 2aff s ILE 37 CO 0.67 0.40 -0.00 -0.13 0.00 0.00 0.00 174.94 175.88 2aff s ARG 38 N 1.21 3.12 -0.11 2.79 0.52 -1.26 -1.88 118.95 123.33 2aff s ARG 38 Ca -0.03 -0.42 0.03 0.00 -0.52 0.00 0.00 55.73 54.79 2aff s ARG 38 Cb -0.14 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 32.51 2aff s ARG 38 CO -0.04 0.62 -0.22 0.42 0.02 0.00 0.00 175.30 176.10 2aff s ILE 39 N -0.65 2.18 0.00 1.52 1.01 -1.11 -4.96 121.20 119.19 2aff s ILE 39 Ca 0.10 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2aff s ILE 39 Cb -0.12 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.50 2aff s ILE 39 CO 0.02 0.55 0.70 0.00 0.00 0.00 0.00 174.94 176.22 2aff n GLN 40 N 3.67 0.66 -4.25 2.79 6.02 -1.26 -4.65 117.38 120.36 2aff n GLN 40 Ca -0.19 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.46 2aff n GLN 40 Cb 0.53 -1.17 -0.12 0.00 1.02 0.00 0.00 30.24 30.50 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 3.33 0.00 1.08 1.43 -1.26 -4.98 118.68 118.27 2aff s LEU 41 Ca 0.00 -0.12 0.20 0.00 -1.03 0.00 0.00 54.13 53.18 2aff s LEU 41 Cb 0.00 -1.82 0.90 0.00 0.03 0.00 0.00 46.19 45.30 2aff s LEU 41 CO 0.00 0.14 1.65 -0.81 0.23 0.00 0.00 176.35 177.55 2aff n PRO 42 N 3.75 0.08 -0.11 1.29 -0.04 -1.26 -2.23 135.00 136.48 2aff n PRO 42 Ca -0.17 0.14 0.11 0.00 -0.04 0.00 0.00 63.50 63.54 2aff n PRO 42 Cb 0.52 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.44 0.28 -3.53 0.52 0.24 -1.26 -4.85 118.33 108.29 2aff n VAL 43 Ca 0.06 -0.47 -0.37 0.00 -2.04 0.00 0.00 64.34 61.52 2aff n VAL 43 Cb 0.22 0.61 -0.06 0.00 -1.47 0.00 0.00 33.84 33.13 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 -1.72 5.23 1.01 3.34 1.01 -0.95 -4.94 120.40 123.39 2aff s VAL 44 Ca 0.34 0.65 -0.13 0.00 0.00 0.00 0.00 61.98 62.84 2aff s VAL 44 Cb 0.19 -3.66 0.20 0.00 0.00 0.00 0.00 36.38 33.11 2aff s VAL 44 CO 0.28 0.45 1.10 -0.55 0.00 0.00 0.00 175.10 176.38 2aff s SER 45 N -0.07 2.51 0.18 3.32 0.15 -1.26 -4.49 113.70 114.03 2aff s SER 45 Ca 0.20 1.10 -0.12 0.00 0.70 0.00 0.00 55.95 57.83 2aff s SER 45 Cb -0.14 -1.72 0.08 0.00 -1.71 0.00 0.00 66.02 62.53 2aff s SER 45 CO 0.07 -3.19 1.74 0.11 1.20 0.00 0.00 173.24 173.17 2aff h LYS 46 N -1.94 0.90 0.00 5.44 1.57 -1.94 -1.57 116.57 119.03 2aff h LYS 46 Ca -0.54 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.06 2aff h LYS 46 Cb 1.33 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2aff h LYS 46 CO 0.57 0.75 -1.31 1.04 -0.57 0.00 0.00 179.45 179.94 2aff n GLN 47 N -4.47 1.03 0.00 3.15 6.02 -1.26 -2.33 117.38 119.51 2aff n GLN 47 Ca 0.04 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2aff n GLN 47 Cb 0.15 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.27 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 -1.85 0.00 -4.65 1.08 -0.00 -1.17 -3.82 115.22 104.80 2aff n HIS 48 Ca -0.03 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.90 2aff n HIS 48 Cb 0.31 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.02 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 0.24 1.33 -0.05 0.00 2.20 -0.61 0.62 119.74 123.48 2aff s LYS 50 Ca -0.06 -0.48 0.06 0.00 -0.36 0.00 0.00 55.97 55.12 2aff s LYS 50 Cb -0.12 -1.21 -0.01 0.00 -1.51 0.00 0.00 37.83 34.98 2aff s LYS 50 CO 0.02 0.22 -0.23 0.42 -0.36 0.00 0.00 175.35 175.43 2aff s ILE 51 N -0.03 1.85 -0.15 5.43 1.01 0.92 0.14 121.20 130.37 2aff s ILE 51 Ca -0.01 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 2aff s ILE 51 Cb -0.09 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 2aff s ILE 51 CO 0.01 0.52 -0.11 -1.61 0.00 0.00 0.00 174.94 173.74 2aff s GLU 52 N -0.16 3.37 -0.36 2.79 2.02 -0.93 -1.84 118.70 123.59 2aff s GLU 52 Ca -0.02 -0.68 -0.16 0.00 0.02 0.00 0.00 54.97 54.13 2aff s GLU 52 Cb -0.12 -2.72 -0.00 0.00 0.10 0.00 0.00 34.13 31.38 2aff s GLU 52 CO 0.03 0.10 0.42 0.42 0.02 0.00 0.00 175.26 176.24 2aff s ILE 53 N 0.66 5.11 -0.08 -1.63 -1.09 -0.25 -2.43 121.20 121.49 2aff s ILE 53 Ca -0.06 0.06 0.04 0.00 -2.23 0.00 0.00 60.65 58.46 2aff s ILE 53 Cb -0.15 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.81 2aff s ILE 53 CO 0.02 -0.18 -0.20 -1.00 -1.23 0.00 0.00 174.94 172.35 2aff s HIS 54 N 2.15 2.58 0.55 3.97 3.76 -0.04 -4.95 115.29 123.31 2aff s HIS 54 Ca 0.14 -0.62 0.49 0.00 -0.15 0.00 0.00 55.06 54.91 2aff s HIS 54 Cb -0.16 -1.67 1.68 0.00 1.11 0.00 0.00 32.58 33.54 2aff s HIS 54 CO 0.12 -0.15 1.53 0.39 -0.85 0.00 0.00 174.74 175.78 2aff n GLU 55 N 3.00 0.00 0.07 1.40 4.71 -1.26 0.18 120.64 128.74 2aff n GLU 55 Ca -0.18 1.07 -0.03 0.00 -0.01 0.00 0.00 57.16 58.01 2aff n GLU 55 Cb 0.52 -2.49 -0.01 0.00 -1.01 0.00 0.00 31.44 28.45 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 2aff h GLN 56 N 0.00 -0.19 0.00 3.49 4.20 -2.00 -3.49 115.11 117.12 2aff h GLN 56 Ca 0.91 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.63 2aff h GLN 56 Cb 3.72 0.04 0.00 0.00 0.30 0.00 0.00 27.48 31.54 2aff h GLN 56 CO -0.01 -0.13 0.00 -0.85 -0.67 0.00 0.00 178.83 177.17 2aff n GLU 57 N -2.72 0.00 -5.14 1.46 0.28 0.13 -5.16 120.64 109.48 2aff n GLU 57 Ca -0.02 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.66 2aff n GLU 57 Cb 0.08 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 32.78 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 -1.14 2.15 -0.12 -1.84 0.00 -1.26 -0.86 121.76 118.68 2aff s ALA 58 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2aff s ALA 58 Cb 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 2aff s ALA 58 CO 0.00 0.25 -0.13 0.42 0.00 0.00 0.00 175.76 176.30 2aff s ILE 59 N 0.40 3.06 -0.21 0.00 1.01 -1.02 -0.50 121.20 123.94 2aff s ILE 59 Ca -0.18 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.65 2aff s ILE 59 Cb -0.18 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 2aff s ILE 59 CO 0.08 0.53 0.39 -0.22 0.00 0.00 0.00 174.94 175.72 2aff s LEU 60 N 0.27 4.14 -0.08 2.97 2.96 0.12 -2.19 118.68 126.88 2aff s LEU 60 Ca -0.09 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 2aff s LEU 60 Cb -0.16 -2.50 -0.02 0.00 0.50 0.00 0.00 46.19 44.01 2aff s LEU 60 CO 0.05 -0.09 -0.11 -1.00 -1.32 0.00 0.00 176.35 173.88 2aff s HIS 61 N 1.42 2.80 -0.49 5.38 3.76 0.12 -1.80 115.29 126.48 2aff s HIS 61 Ca 0.18 -0.20 -0.17 0.00 -0.15 0.00 0.00 55.06 54.72 2aff s HIS 61 Cb -0.15 -1.71 0.08 0.00 1.11 0.00 0.00 32.58 31.91 2aff s HIS 61 CO 0.08 0.14 0.48 0.54 -0.85 0.00 0.00 174.74 175.13 2aff s ASN 62 N -0.49 6.17 0.00 1.40 4.22 -1.26 -1.57 114.94 123.41 2aff s ASN 62 Ca 0.07 -1.27 0.24 0.00 -2.14 0.00 0.00 52.86 49.76 2aff s ASN 62 Cb -0.12 -2.22 0.35 0.00 1.28 0.00 0.00 41.25 40.55 2aff s ASN 62 CO 0.02 -0.75 1.31 0.49 -2.04 0.00 0.00 177.10 176.13 2aff n PHE 63 N 5.50 0.00 -2.31 1.54 3.01 0.17 -4.80 117.46 120.57 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 0.44 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.77 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 -2.73 5.79 0.00 4.37 0.15 -0.08 -4.53 113.70 116.68 2aff s SER 64 Ca 0.16 -0.00 0.26 0.00 0.70 0.00 0.00 55.95 57.07 2aff s SER 64 Cb 0.18 -2.55 0.73 0.00 -1.71 0.00 0.00 66.02 62.68 2aff s SER 64 CO 0.65 -2.03 1.57 -1.20 1.20 0.00 0.00 173.24 173.42 2aff n SER 65 N 10.77 0.42 -0.09 5.45 7.64 -1.26 -3.60 113.62 132.96 2aff n SER 65 Ca 0.12 -0.15 -0.21 0.00 1.01 0.00 0.00 58.87 59.64 2aff n SER 65 Cb 0.50 0.06 -0.12 0.00 -1.01 0.00 0.00 64.21 63.63 2aff n SER 65 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2aff n THR 66 N -1.41 1.59 -3.54 0.44 -1.04 -1.26 -4.86 114.28 104.21 2aff n THR 66 Ca 0.07 -0.54 -0.28 0.00 -2.04 0.00 0.00 64.05 61.27 2aff n THR 66 Cb 0.33 -1.62 -0.15 0.00 -1.82 0.00 0.00 70.33 67.07 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 -6.83 3.24 0.44 8.00 0.01 -1.25 -5.14 114.94 113.40 2aff s ASN 67 Ca -0.31 -1.16 -0.25 0.00 -0.71 0.00 0.00 52.86 50.43 2aff s ASN 67 Cb 0.09 -0.27 -0.09 0.00 0.41 0.00 0.00 41.25 41.39 2aff s ASN 67 CO 0.64 -0.42 1.21 -2.65 -1.51 0.00 0.00 177.10 174.37 2aff n PRO 68 N 5.26 1.75 -2.29 -0.60 -0.02 -1.24 -4.68 135.00 133.18 2aff n PRO 68 Ca -0.06 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 2aff n PRO 68 Cb 0.43 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.23 3.19 -0.09 3.45 2.01 -1.26 -4.81 115.64 116.89 2aff s THR 69 Ca 0.63 1.12 -0.09 0.00 0.31 0.00 0.00 61.69 63.66 2aff s THR 69 Cb -0.51 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2aff s THR 69 CO 0.57 0.24 0.21 -1.10 -0.69 0.00 0.00 174.62 173.84 2aff s GLN 70 N -1.16 3.58 -0.04 4.92 -0.21 0.13 -1.71 119.66 125.18 2aff s GLN 70 Ca 0.49 0.00 0.02 0.00 0.02 0.00 0.00 55.36 55.89 2aff s GLN 70 Cb -0.35 -3.21 0.01 0.00 1.00 0.00 0.00 33.01 30.46 2aff s GLN 70 CO 0.44 0.74 -0.06 0.08 -2.12 0.00 0.00 175.29 174.36 2aff s VAL 71 N -0.99 0.64 -1.34 1.09 1.01 0.52 0.27 120.40 121.60 2aff s VAL 71 Ca 0.17 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 2aff s VAL 71 Cb -0.13 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.67 2aff s VAL 71 CO 0.06 0.23 0.43 0.59 0.00 0.00 0.00 175.10 176.41 2aff n ASN 72 N 3.71 -4.53 -0.87 3.32 3.02 -0.61 -0.07 115.26 119.23 2aff n ASN 72 Ca -0.22 -0.25 -0.08 0.00 -0.03 0.00 0.00 54.58 54.00 2aff n ASN 72 Cb 0.52 -3.73 -0.01 0.00 -0.61 0.00 0.00 39.78 35.96 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 -1.21 0.14 3.10 7.41 0.00 -1.26 -5.04 105.19 108.33 2aff n GLY 73 Ca -0.07 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.67 -0.17 0.28 1.61 0.15 0.90 -5.10 113.70 108.70 2aff s SER 74 Ca 0.00 0.28 -0.29 0.00 0.70 0.00 0.00 55.95 56.64 2aff s SER 74 Cb 0.00 0.37 -0.09 0.00 -1.71 0.00 0.00 66.02 64.59 2aff s SER 74 CO 0.00 -0.15 1.09 0.68 1.20 0.00 0.00 173.24 176.06 2aff s VAL 75 N -0.25 3.53 -0.52 4.45 -7.23 -1.26 0.20 120.40 119.32 2aff s VAL 75 Ca -0.04 1.53 -0.11 0.00 -1.81 0.00 0.00 61.98 61.56 2aff s VAL 75 Cb -0.03 -3.97 0.13 0.00 0.56 0.00 0.00 36.38 33.07 2aff s VAL 75 CO 0.01 0.35 0.41 0.27 -0.31 0.00 0.00 175.10 175.83 2aff s ILE 76 N -1.18 4.47 0.33 -0.62 -4.36 -0.69 -4.89 121.20 114.25 2aff s ILE 76 Ca 0.45 -1.83 0.04 0.00 -0.26 0.00 0.00 60.65 59.04 2aff s ILE 76 Cb -0.31 -3.91 0.16 0.00 1.25 0.00 0.00 42.46 39.65 2aff s ILE 76 CO 0.40 -0.82 1.87 0.44 0.24 0.00 0.00 174.94 177.08 2aff h ASP 77 N 8.43 0.51 -4.73 4.36 3.32 -1.95 -3.43 116.42 122.93 2aff h ASP 77 Ca -0.20 -0.09 -0.53 0.00 0.02 0.00 0.00 57.03 56.23 2aff h ASP 77 Cb 1.07 -0.13 -0.11 0.00 0.22 0.00 0.00 39.33 40.37 2aff h ASP 77 CO 0.88 0.57 -0.43 -0.62 -1.72 0.00 0.00 179.24 177.93 2aff n GLU 78 N -4.28 0.65 -1.84 3.56 1.02 -1.26 -4.94 120.64 113.55 2aff n GLU 78 Ca 0.02 -3.22 -0.40 0.00 -0.02 0.00 0.00 57.16 53.54 2aff n GLU 78 Cb 0.24 1.60 0.01 0.00 -0.02 0.00 0.00 31.44 33.27 2aff n GLU 78 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 2aff s PRO 79 N -3.47 3.78 -0.02 3.49 0.02 -1.26 -4.73 135.00 132.81 2aff s PRO 79 Ca 0.16 2.40 0.03 0.00 0.02 0.00 0.00 61.00 63.60 2aff s PRO 79 Cb 0.01 -2.71 -0.00 0.00 0.02 0.00 0.00 34.50 31.82 2aff s PRO 79 CO 0.11 -0.73 -0.09 0.08 -0.33 0.00 0.00 177.00 176.04 2aff s VAL 80 N -1.20 0.74 0.01 3.83 1.01 -0.75 -4.99 120.40 119.05 2aff s VAL 80 Ca 0.59 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 2aff s VAL 80 Cb -0.43 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2aff s VAL 80 CO 0.56 0.22 1.15 -0.13 0.00 0.00 0.00 175.10 176.90 2aff s ARG 81 N 0.03 4.44 0.09 2.72 0.52 -1.26 -0.71 118.95 124.79 2aff s ARG 81 Ca -0.00 1.65 -0.26 0.00 -0.52 0.00 0.00 55.73 56.60 2aff s ARG 81 Cb -0.06 -3.44 -0.06 0.00 0.52 0.00 0.00 34.95 31.91 2aff s ARG 81 CO 0.00 -0.27 0.79 -0.51 0.02 0.00 0.00 175.30 175.33 2aff s LEU 82 N 1.40 4.51 0.13 2.53 1.43 0.35 -4.91 118.68 124.11 2aff s LEU 82 Ca 0.56 1.55 0.11 0.00 -1.03 0.00 0.00 54.13 55.32 2aff s LEU 82 Cb -0.26 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 2aff s LEU 82 CO 0.26 0.07 -0.26 -0.54 0.23 0.00 0.00 176.35 176.12 2aff s LYS 83 N -0.43 1.37 0.01 1.70 1.02 -1.26 -4.52 119.74 117.64 2aff s LYS 83 Ca 0.38 -1.33 -0.34 0.00 0.02 0.00 0.00 55.97 54.71 2aff s LYS 83 Cb -0.22 -1.85 -0.12 0.00 -0.52 0.00 0.00 37.83 35.12 2aff s LYS 83 CO 0.25 0.44 1.77 1.58 -0.92 0.00 0.00 175.35 178.46 2aff n HIS 84 N 0.94 2.31 0.00 3.18 -0.00 -1.26 -0.63 115.22 119.76 2aff n HIS 84 Ca -0.18 0.09 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 2aff n HIS 84 Cb 0.53 -2.62 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 4.03 1.35 3.75 1.57 0.00 -0.44 -4.94 105.19 110.50 2aff n GLY 85 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.72 7.02 -0.09 1.61 1.01 0.20 -4.80 116.67 119.91 2aff s ASP 86 Ca 0.00 2.37 -0.03 0.00 0.71 0.00 0.00 52.55 55.60 2aff s ASP 86 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 2aff s ASP 86 CO 0.00 -0.39 0.03 0.54 0.21 0.00 0.00 175.17 175.56 2aff s VAL 87 N -0.46 4.56 -0.15 -1.27 0.11 -1.26 -1.04 120.40 120.89 2aff s VAL 87 Ca 0.51 -0.18 -0.04 0.00 -2.93 0.00 0.00 61.98 59.34 2aff s VAL 87 Cb -0.35 -2.94 -0.03 0.00 -1.53 0.00 0.00 36.38 31.53 2aff s VAL 87 CO 0.41 0.59 -0.02 -0.63 -3.33 0.00 0.00 175.10 172.12 2aff s ILE 88 N -0.93 4.03 -0.08 7.04 1.01 -0.33 -1.58 121.20 130.36 2aff s ILE 88 Ca 0.14 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.51 2aff s ILE 88 Cb -0.11 -2.77 0.01 0.00 0.01 0.00 0.00 42.46 39.60 2aff s ILE 88 CO 0.03 0.50 -0.15 -0.89 0.00 0.00 0.00 174.94 174.43 2aff s THR 89 N 0.25 1.38 -0.20 2.92 2.01 0.75 -0.01 115.64 122.75 2aff s THR 89 Ca -0.02 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.34 2aff s THR 89 Cb -0.14 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 2aff s THR 89 CO 0.02 0.41 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.67 2aff s ILE 90 N 0.70 3.26 0.00 1.82 1.01 0.59 -0.70 121.20 127.88 2aff s ILE 90 Ca -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 59.98 2aff s ILE 90 Cb -0.16 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.85 2aff s ILE 90 CO 0.03 0.45 0.00 -0.38 0.00 0.00 0.00 174.94 175.04 2aff n ILE 91 N 4.57 0.00 -0.09 2.92 5.41 -1.26 0.23 119.36 131.14 2aff n ILE 91 Ca -0.18 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.62 2aff n ILE 91 Cb 0.51 0.00 0.14 0.00 -0.71 0.00 0.00 39.64 39.58 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 2.18 2.82 -4.19 4.38 8.00 -1.26 -4.98 116.55 123.51 2aff n ASP 92 Ca 0.00 -1.93 -0.23 0.00 0.71 0.00 0.00 54.79 53.34 2aff n ASP 92 Cb 0.00 -0.21 -0.14 0.00 -0.02 0.00 0.00 41.12 40.75 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 -0.99 1.21 0.05 -1.24 0.52 0.63 -4.47 118.95 114.67 2aff s ARG 93 Ca 0.23 -0.81 -0.02 0.00 -0.52 0.00 0.00 55.73 54.61 2aff s ARG 93 Cb 0.12 -1.26 -0.03 0.00 0.52 0.00 0.00 34.95 34.30 2aff s ARG 93 CO 0.16 0.32 0.01 -1.54 0.02 0.00 0.00 175.30 174.27 2aff s SER 94 N -1.01 0.40 -0.09 0.23 1.04 -1.26 0.22 113.70 113.23 2aff s SER 94 Ca 0.05 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.59 2aff s SER 94 Cb -0.08 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.28 2aff s SER 94 CO 0.01 -0.60 -0.10 -0.36 0.98 0.00 0.00 173.24 173.17 2aff s PHE 95 N -3.73 1.46 0.09 5.02 0.40 0.99 -1.40 117.98 120.81 2aff s PHE 95 Ca 0.05 -0.64 -0.28 0.00 -0.60 0.00 0.00 56.93 55.47 2aff s PHE 95 Cb 0.06 -1.14 -0.06 0.00 0.51 0.00 0.00 43.02 42.39 2aff s PHE 95 CO -0.09 -0.40 0.87 1.03 0.70 0.00 0.00 175.22 177.33 2aff s ARG 96 N 1.19 4.62 -0.24 0.44 0.52 -0.76 -1.19 118.95 123.53 2aff s ARG 96 Ca -0.05 1.28 -0.13 0.00 -0.52 0.00 0.00 55.73 56.31 2aff s ARG 96 Cb -0.14 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 2aff s ARG 96 CO -0.02 0.28 0.29 -0.47 0.02 0.00 0.00 175.30 175.39 2aff s TYR 97 N -0.15 3.30 -0.18 -0.53 5.04 -0.20 -2.22 117.35 122.41 2aff s TYR 97 Ca 0.43 0.37 0.01 0.00 -2.44 0.00 0.00 57.07 55.43 2aff s TYR 97 Cb -0.22 -2.44 0.03 0.00 0.35 0.00 0.00 41.96 39.68 2aff s TYR 97 CO 0.27 -0.07 -0.12 -1.21 -1.34 0.00 0.00 175.55 173.08 2aff s GLU 98 N 1.52 2.17 -0.26 4.97 2.02 -0.69 -1.32 118.70 127.11 2aff s GLU 98 Ca 0.13 -0.71 -0.17 0.00 0.02 0.00 0.00 54.97 54.24 2aff s GLU 98 Cb -0.15 -2.28 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 2aff s GLU 98 CO 0.08 -0.34 0.45 1.21 0.02 0.00 0.00 175.26 176.68 2aff s ASN 99 N 1.44 6.36 0.00 -0.19 3.84 -1.26 -1.04 114.94 124.08 2aff s ASN 99 Ca 0.02 0.42 0.00 0.00 0.21 0.00 0.00 52.86 53.51 2aff s ASN 99 Cb -0.15 -2.25 0.00 0.00 -0.55 0.00 0.00 41.25 38.30 2aff s ASN 99 CO -0.09 -0.24 0.00 1.21 -2.79 0.00 0.00 177.10 175.19