#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 1.33 -3.79 3.45 -1.04 -1.26 -4.98 114.28 107.99 2aff n THR 4 Ca 0.00 -0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.65 2aff n THR 4 Cb 0.00 -2.02 -0.08 0.00 -1.82 0.00 0.00 70.33 66.41 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 -2.58 4.05 0.11 -2.82 0.52 -1.26 -1.97 118.95 115.00 2aff s ARG 5 Ca -0.25 -0.22 0.05 0.00 -0.52 0.00 0.00 55.73 54.78 2aff s ARG 5 Cb 0.07 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 2aff s ARG 5 CO 0.35 0.37 -0.13 1.03 0.02 0.00 0.00 175.30 176.94 2aff s ARG 6 N 0.15 0.93 0.01 3.54 0.52 -0.81 -2.34 118.95 120.95 2aff s ARG 6 Ca 0.08 -1.18 0.09 0.00 -0.52 0.00 0.00 55.73 54.20 2aff s ARG 6 Cb -0.11 -0.76 -0.02 0.00 0.52 0.00 0.00 34.95 34.58 2aff s ARG 6 CO -0.01 0.14 -0.26 -0.51 0.02 0.00 0.00 175.30 174.68 2aff s LEU 7 N -2.37 2.11 -0.12 2.53 1.43 -0.81 -1.92 118.68 119.52 2aff s LEU 7 Ca 0.06 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2aff s LEU 7 Cb -0.05 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 2aff s LEU 7 CO 0.02 0.29 -0.16 -0.69 0.23 0.00 0.00 176.35 176.05 2aff s VAL 8 N -0.70 2.81 -0.41 -1.59 1.01 -0.91 -0.10 120.40 120.50 2aff s VAL 8 Ca 0.11 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 2aff s VAL 8 Cb -0.10 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.14 2aff s VAL 8 CO 0.00 0.53 0.76 -0.89 0.00 0.00 0.00 175.10 175.51 2aff s THR 9 N 0.36 4.71 0.30 3.92 2.01 -0.97 -2.09 115.64 123.87 2aff s THR 9 Ca -0.13 0.59 -0.27 0.00 0.31 0.00 0.00 61.69 62.19 2aff s THR 9 Cb -0.16 -4.25 -0.10 0.00 0.01 0.00 0.00 72.50 68.00 2aff s THR 9 CO 0.06 -0.58 0.95 -0.63 -0.69 0.00 0.00 174.62 173.74 2aff s ILE 10 N 3.15 4.11 0.34 1.82 -1.09 -0.86 -2.52 121.20 126.15 2aff s ILE 10 Ca 0.30 1.88 0.01 0.00 -2.23 0.00 0.00 60.65 60.61 2aff s ILE 10 Cb -0.13 -4.10 -0.03 0.00 -1.58 0.00 0.00 42.46 36.63 2aff s ILE 10 CO 0.20 0.26 0.53 -0.54 -1.23 0.00 0.00 174.94 174.16 2aff s LYS 11 N -1.77 3.44 0.56 2.79 1.02 0.72 -4.41 119.74 122.08 2aff s LYS 11 Ca 0.47 -0.43 0.24 0.00 0.02 0.00 0.00 55.97 56.28 2aff s LYS 11 Cb -0.22 -2.69 1.55 0.00 -0.52 0.00 0.00 37.83 35.95 2aff s LYS 11 CO 0.27 0.16 2.16 0.00 -0.92 0.00 0.00 175.35 177.02 2aff h ARG 12 N 0.79 0.00 0.00 1.68 3.08 -1.86 0.45 114.38 118.51 2aff h ARG 12 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 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 0.66 -1.07 0.00 0.00 179.97 180.17 2aff h SER 13 N 0.00 0.00 0.00 7.04 4.64 -1.93 -3.46 113.55 119.83 2aff h SER 13 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2aff h SER 13 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2aff h SER 13 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2aff n GLY 14 N 0.48 1.15 3.18 -0.77 0.00 0.16 -5.10 105.19 104.29 2aff n GLY 14 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 2aff n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aff s VAL 15 N -2.00 1.48 0.33 1.61 0.11 -1.24 -4.82 120.40 115.86 2aff s VAL 15 Ca 0.00 -0.80 -0.17 0.00 -2.93 0.00 0.00 61.98 58.08 2aff s VAL 15 Cb 0.00 -1.23 -0.09 0.00 -1.53 0.00 0.00 36.38 33.53 2aff s VAL 15 CO 0.00 0.42 0.77 1.51 -3.33 0.00 0.00 175.10 174.47 2aff s ASP 16 N -0.41 6.85 0.00 3.54 -4.77 -1.26 -0.20 116.67 120.41 2aff s ASP 16 Ca 0.07 1.38 0.00 0.00 -3.30 0.00 0.00 52.55 50.69 2aff s ASP 16 Cb -0.07 -2.41 0.00 0.00 -1.09 0.00 0.00 42.92 39.35 2aff s ASP 16 CO -0.01 -0.20 0.00 0.61 0.70 0.00 0.00 175.17 176.28 2aff n GLY 17 N -0.25 1.60 3.76 2.12 0.00 -1.05 -4.93 105.19 106.45 2aff n GLY 17 Ca 0.03 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 0.78 4.54 0.03 1.61 0.04 -1.26 -4.84 135.00 135.90 2aff s PRO 18 Ca 0.00 1.72 0.02 0.00 0.04 0.00 0.00 61.00 62.78 2aff s PRO 18 Cb 0.00 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 2aff s PRO 18 CO 0.00 0.15 0.03 -3.38 0.04 0.00 0.00 177.00 173.84 2aff s HIS 19 N -1.28 3.12 -0.42 0.56 -3.43 -1.26 -2.29 115.29 110.29 2aff s HIS 19 Ca 0.47 0.09 -0.01 0.00 -0.80 0.00 0.00 55.06 54.81 2aff s HIS 19 Cb -0.29 -1.65 0.11 0.00 -1.43 0.00 0.00 32.58 29.32 2aff s HIS 19 CO 0.37 0.49 0.20 0.12 -2.00 0.00 0.00 174.74 173.93 2aff s PHE 20 N -1.20 3.59 0.12 0.38 5.36 0.85 -4.97 117.98 122.11 2aff s PHE 20 Ca 0.23 -2.60 -0.30 0.00 -0.96 0.00 0.00 56.93 53.30 2aff s PHE 20 Cb -0.12 -3.15 -0.06 0.00 -0.34 0.00 0.00 43.02 39.35 2aff s PHE 20 CO 0.14 -0.95 1.09 -1.25 -1.46 0.00 0.00 175.22 172.80 2aff s PRO 21 N 0.91 4.56 -1.05 10.12 0.04 -1.26 -1.92 135.00 146.40 2aff s PRO 21 Ca 0.10 1.66 -0.18 0.00 0.04 0.00 0.00 61.00 62.62 2aff s PRO 21 Cb -0.22 -3.33 0.13 0.00 0.04 0.00 0.00 34.50 31.12 2aff s PRO 21 CO -0.05 -0.00 1.30 -0.51 0.04 0.00 0.00 177.00 177.78 2aff s LEU 22 N 0.20 4.78 0.05 -3.56 1.43 -0.99 -4.71 118.68 115.87 2aff s LEU 22 Ca 0.52 -2.29 0.27 0.00 -1.03 0.00 0.00 54.13 51.59 2aff s LEU 22 Cb -0.28 -2.43 0.87 0.00 0.03 0.00 0.00 46.19 44.38 2aff s LEU 22 CO 0.32 -1.03 1.70 -1.54 0.23 0.00 0.00 176.35 176.03 2aff n SER 23 N 6.69 0.35 -4.71 2.29 3.41 -1.26 -4.71 113.62 115.67 2aff n SER 23 Ca 0.31 0.27 -0.26 0.00 -0.26 0.00 0.00 58.87 58.92 2aff n SER 23 Cb 0.47 -0.27 -0.07 0.00 -0.26 0.00 0.00 64.21 64.08 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 -3.39 3.48 0.00 1.04 1.43 -1.26 -5.02 118.68 114.96 2aff s LEU 24 Ca 0.12 -0.31 0.29 0.00 -1.03 0.00 0.00 54.13 53.19 2aff s LEU 24 Cb 0.17 -2.11 1.31 0.00 0.03 0.00 0.00 46.19 45.59 2aff s LEU 24 CO 0.61 0.08 1.95 -1.20 0.23 0.00 0.00 176.35 178.02 2aff n SER 25 N -0.21 0.00 -4.07 2.29 7.64 -1.26 -4.75 113.62 113.26 2aff n SER 25 Ca -0.09 0.28 -0.27 0.00 1.01 0.00 0.00 58.87 59.80 2aff n SER 25 Cb 0.55 -0.43 -0.17 0.00 -1.01 0.00 0.00 64.21 63.16 2aff n SER 25 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2aff s THR 26 N -2.85 1.38 -0.20 0.44 2.01 -1.26 -0.90 115.64 114.25 2aff s THR 26 Ca 0.19 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.59 2aff s THR 26 Cb 0.19 -1.24 0.04 0.00 0.01 0.00 0.00 72.50 71.50 2aff s THR 26 CO 0.50 0.41 -0.11 0.00 -0.69 0.00 0.00 174.62 174.73 2aff s LEU 28 N 1.37 2.90 -0.14 0.00 2.96 -1.26 -0.79 118.68 123.72 2aff s LEU 28 Ca -0.02 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 53.59 2aff s LEU 28 Cb -0.16 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 2aff s LEU 28 CO -0.08 0.14 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.67 2aff s PHE 29 N 0.52 2.97 -3.70 5.38 0.40 0.76 -0.56 117.98 123.74 2aff s PHE 29 Ca -0.06 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 2aff s PHE 29 Cb -0.15 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.47 2aff s PHE 29 CO 0.03 -0.04 0.00 0.41 0.70 0.00 0.00 175.22 176.32 2aff n GLY 30 N 3.40 -2.10 0.11 4.36 0.00 -0.90 -1.98 105.19 108.08 2aff n GLY 30 Ca -0.18 -1.20 -0.05 0.00 0.00 0.00 0.00 46.02 44.59 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 0.07 -6.74 1.61 3.08 -1.47 -2.93 114.38 108.01 2aff h ARG 31 Ca 0.00 -0.07 -0.57 0.00 0.07 0.00 0.00 59.98 59.41 2aff h ARG 31 Cb 0.00 0.02 0.13 0.00 0.08 0.00 0.00 29.97 30.20 2aff h ARG 31 CO 0.00 0.83 0.30 0.41 -1.07 0.00 0.00 179.97 180.44 2aff n GLY 32 N 0.73 0.10 0.30 0.04 0.00 -1.23 -4.77 105.19 100.37 2aff n GLY 32 Ca -0.02 0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 1.69 1.25 0.00 -0.61 6.09 -1.93 -1.32 117.51 122.68 2aff h ILE 33 Ca -0.46 -0.92 0.00 0.00 -1.37 0.00 0.00 64.86 62.11 2aff h ILE 33 Cb 1.32 0.61 0.00 0.00 0.47 0.00 0.00 36.82 39.22 2aff h ILE 33 CO 0.58 0.35 0.22 -0.08 -3.07 0.00 0.00 178.15 176.15 2aff h GLU 34 N 0.96 0.00 -6.64 2.19 4.81 -1.97 -3.42 114.58 110.50 2aff h GLU 34 Ca 0.21 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.91 2aff h GLU 34 Cb 0.34 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.76 2aff h GLU 34 CO -0.00 0.00 0.68 0.00 -0.73 0.00 0.00 179.01 178.96 2aff h ASP 36 N 5.77 0.14 -3.26 0.00 3.32 -1.08 -3.37 116.42 117.94 2aff h ASP 36 Ca -0.44 -0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.04 2aff h ASP 36 Cb 1.21 -0.03 -0.35 0.00 0.22 0.00 0.00 39.33 40.38 2aff h ASP 36 CO 0.80 0.10 -0.82 -0.63 -1.72 0.00 0.00 179.24 176.97 2aff s ILE 37 N -5.20 1.34 -0.12 0.35 1.01 -0.10 -4.95 121.20 113.53 2aff s ILE 37 Ca -0.06 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 2aff s ILE 37 Cb 0.17 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 2aff s ILE 37 CO 0.69 0.41 -0.07 -0.60 0.00 0.00 0.00 174.94 175.37 2aff s ARG 38 N 1.13 3.29 -0.10 2.79 3.52 -1.26 -2.12 118.95 126.20 2aff s ARG 38 Ca -0.04 -0.57 0.03 0.00 -0.13 0.00 0.00 55.73 55.02 2aff s ARG 38 Cb -0.14 -2.74 -0.01 0.00 -1.56 0.00 0.00 34.95 30.50 2aff s ARG 38 CO -0.03 0.38 -0.21 0.42 -0.81 0.00 0.00 175.30 175.06 2aff s ILE 39 N -0.05 2.37 0.00 4.11 1.01 -1.11 -4.98 121.20 122.55 2aff s ILE 39 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.73 2aff s ILE 39 Cb -0.13 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.41 2aff s ILE 39 CO 0.03 0.55 1.02 0.00 0.00 0.00 0.00 174.94 176.54 2aff n GLN 40 N 3.36 0.79 -4.59 2.79 6.02 -1.26 -4.53 117.38 119.97 2aff n GLN 40 Ca -0.18 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.47 2aff n GLN 40 Cb 0.53 -1.10 -0.14 0.00 1.02 0.00 0.00 30.24 30.54 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 2.78 0.27 1.08 1.43 -1.26 -5.00 118.68 117.98 2aff s LEU 41 Ca 0.00 -0.33 0.25 0.00 -1.03 0.00 0.00 54.13 53.02 2aff s LEU 41 Cb 0.00 -1.64 0.97 0.00 0.03 0.00 0.00 46.19 45.55 2aff s LEU 41 CO 0.00 0.13 1.74 1.55 0.23 0.00 0.00 176.35 180.00 2aff h PRO 42 N 6.95 0.00 -0.01 1.29 0.13 -2.02 -2.70 132.00 135.64 2aff h PRO 42 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2aff h PRO 42 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2aff h PRO 42 CO 0.57 0.00 -0.04 1.55 -0.23 0.00 0.00 178.00 179.85 2aff n VAL 43 N -2.30 0.00 -3.59 1.56 3.14 -1.26 -4.83 118.33 111.05 2aff n VAL 43 Ca 0.03 -0.13 -0.38 0.00 -2.96 0.00 0.00 64.34 60.90 2aff n VAL 43 Cb 0.27 0.08 -0.06 0.00 -1.06 0.00 0.00 33.84 33.08 2aff n VAL 43 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2aff s VAL 44 N -2.14 5.17 1.08 1.55 0.11 -1.02 -4.82 120.40 120.32 2aff s VAL 44 Ca 0.38 0.67 -0.14 0.00 -2.93 0.00 0.00 61.98 59.95 2aff s VAL 44 Cb 0.21 -3.63 0.23 0.00 -1.53 0.00 0.00 36.38 31.66 2aff s VAL 44 CO 0.39 0.57 1.09 -0.55 -3.33 0.00 0.00 175.10 173.27 2aff s SER 45 N -0.95 1.90 0.12 3.54 0.15 -1.26 -4.58 113.70 112.61 2aff s SER 45 Ca 0.21 1.06 -0.17 0.00 0.70 0.00 0.00 55.95 57.75 2aff s SER 45 Cb -0.15 -1.64 -0.03 0.00 -1.71 0.00 0.00 66.02 62.49 2aff s SER 45 CO 0.10 -3.57 1.63 0.11 1.20 0.00 0.00 173.24 172.71 2aff h LYS 46 N -2.19 0.54 0.00 5.44 1.57 -1.93 -2.64 116.57 117.36 2aff h LYS 46 Ca -0.53 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 2aff h LYS 46 Cb 1.33 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2aff h LYS 46 CO 0.51 0.58 -0.62 1.04 -0.57 0.00 0.00 179.45 180.39 2aff n GLN 47 N -4.64 3.37 0.00 3.15 6.02 -1.26 -3.35 117.38 120.68 2aff n GLN 47 Ca -0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2aff n GLN 47 Cb 0.18 -0.94 0.00 0.00 1.02 0.00 0.00 30.24 30.50 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 -1.34 0.00 -4.45 1.08 -0.00 -0.84 -3.68 115.22 105.99 2aff n HIS 48 Ca 0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.51 2aff n HIS 48 Cb 0.14 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.97 2aff n HIS 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2aff s LYS 50 N 0.27 1.85 -0.13 0.00 2.20 -0.53 -0.17 119.74 123.23 2aff s LYS 50 Ca -0.05 -0.44 -0.02 0.00 -0.36 0.00 0.00 55.97 55.10 2aff s LYS 50 Cb -0.10 -1.58 -0.03 0.00 -1.51 0.00 0.00 37.83 34.61 2aff s LYS 50 CO 0.01 -0.03 -0.05 0.42 -0.36 0.00 0.00 175.35 175.34 2aff s ILE 51 N 0.87 3.79 -0.22 5.43 1.01 0.03 0.35 121.20 132.46 2aff s ILE 51 Ca -0.10 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 2aff s ILE 51 Cb -0.15 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.71 2aff s ILE 51 CO 0.01 0.53 -0.09 -1.61 0.00 0.00 0.00 174.94 173.78 2aff s GLU 52 N -0.01 2.99 -0.37 2.79 2.02 -0.14 -2.30 118.70 123.69 2aff s GLU 52 Ca 0.00 -0.86 -0.13 0.00 0.02 0.00 0.00 54.97 54.00 2aff s GLU 52 Cb -0.13 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.22 2aff s GLU 52 CO 0.03 -0.31 0.25 0.42 0.02 0.00 0.00 175.26 175.67 2aff s ILE 53 N 1.35 5.10 -0.05 -1.63 1.01 -0.08 -1.54 121.20 125.36 2aff s ILE 53 Ca 0.03 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.20 2aff s ILE 53 Cb -0.15 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 2aff s ILE 53 CO -0.06 -0.14 -0.06 -1.00 0.00 0.00 0.00 174.94 173.68 2aff s HIS 54 N 1.67 2.96 0.44 3.97 3.76 0.06 -4.88 115.29 123.27 2aff s HIS 54 Ca 0.05 0.03 0.31 0.00 -0.15 0.00 0.00 55.06 55.30 2aff s HIS 54 Cb -0.18 -1.70 1.46 0.00 1.11 0.00 0.00 32.58 33.27 2aff s HIS 54 CO 0.09 0.36 1.60 0.93 -0.85 0.00 0.00 174.74 176.88 2aff h GLU 55 N 5.05 0.05 0.38 1.40 5.08 -2.02 0.22 114.58 124.74 2aff h GLU 55 Ca -0.49 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 2aff h GLU 55 Cb 1.17 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2aff h GLU 55 CO 0.53 0.03 -0.18 0.37 -1.00 0.00 0.00 179.01 178.76 2aff h GLN 56 N 0.05 -0.49 0.00 2.33 4.15 -2.01 -3.48 115.11 115.66 2aff h GLN 56 Ca 0.85 0.03 -0.07 0.00 0.77 0.00 0.00 58.65 60.23 2aff h GLN 56 Cb 2.69 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 30.48 2aff h GLN 56 CO -0.44 -0.33 0.02 -0.85 -1.93 0.00 0.00 178.83 175.30 2aff n GLU 57 N -3.38 0.37 -4.03 1.69 0.28 0.79 -5.15 120.64 111.21 2aff n GLU 57 Ca -0.06 -1.04 -0.35 0.00 -0.16 0.00 0.00 57.16 55.54 2aff n GLU 57 Cb 0.20 1.13 -0.13 0.00 1.43 0.00 0.00 31.44 34.07 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 -1.77 2.96 -0.10 -1.84 0.00 -1.26 -0.76 121.76 118.99 2aff s ALA 58 Ca 0.09 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.03 2aff s ALA 58 Cb -0.01 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 2aff s ALA 58 CO 0.07 -0.24 -0.19 0.42 0.00 0.00 0.00 175.76 175.81 2aff s ILE 59 N 1.16 2.49 -0.21 0.00 1.01 -0.59 0.13 121.20 125.18 2aff s ILE 59 Ca 0.03 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 2aff s ILE 59 Cb -0.14 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 2aff s ILE 59 CO 0.01 0.55 0.13 -0.22 0.00 0.00 0.00 174.94 175.41 2aff s LEU 60 N 0.20 4.09 -0.11 2.97 2.96 0.24 -0.97 118.68 128.06 2aff s LEU 60 Ca -0.12 0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 2aff s LEU 60 Cb -0.16 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 2aff s LEU 60 CO 0.06 0.13 -0.04 -1.00 -1.32 0.00 0.00 176.35 174.18 2aff s HIS 61 N 0.65 3.02 -0.45 5.38 3.76 0.16 -1.32 115.29 126.49 2aff s HIS 61 Ca 0.07 -0.09 -0.17 0.00 -0.15 0.00 0.00 55.06 54.71 2aff s HIS 61 Cb -0.12 -1.83 0.04 0.00 1.11 0.00 0.00 32.58 31.77 2aff s HIS 61 CO 0.01 0.19 0.47 1.21 -0.85 0.00 0.00 174.74 175.77 2aff s ASN 62 N -0.30 6.19 0.00 1.40 3.84 -1.26 -1.46 114.94 123.36 2aff s ASN 62 Ca 0.05 -0.82 0.20 0.00 0.21 0.00 0.00 52.86 52.50 2aff s ASN 62 Cb -0.13 -2.23 -0.11 0.00 -0.55 0.00 0.00 41.25 38.23 2aff s ASN 62 CO 0.02 -0.66 0.94 0.49 -2.79 0.00 0.00 177.10 175.11 2aff n PHE 63 N 5.66 0.00 -2.39 0.43 3.01 0.34 -4.85 117.46 119.66 2aff n PHE 63 Ca -0.08 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.99 2aff n PHE 63 Cb 0.46 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.90 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 -2.60 5.91 0.12 4.37 0.15 0.43 -4.55 113.70 117.53 2aff s SER 64 Ca 0.13 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.37 2aff s SER 64 Cb 0.16 -2.55 -0.16 0.00 -1.71 0.00 0.00 66.02 61.76 2aff s SER 64 CO 0.67 -1.99 1.27 0.77 1.20 0.00 0.00 173.24 175.16 2aff h SER 65 N 11.32 0.27 -0.05 5.45 4.64 -1.90 -2.98 113.55 130.30 2aff h SER 65 Ca -0.18 -0.26 -0.13 0.00 -0.47 0.00 0.00 61.79 60.76 2aff h SER 65 Cb 1.07 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2aff h SER 65 CO 1.28 1.14 -0.49 0.74 -0.87 0.00 0.00 176.83 178.63 2aff h THR 66 N 0.07 1.41 -2.70 2.95 2.02 -1.97 -3.42 112.91 111.27 2aff h THR 66 Ca -0.07 -1.90 -0.56 0.00 0.77 0.00 0.00 66.41 64.65 2aff h THR 66 Cb 1.74 2.40 -0.40 0.00 -1.74 0.00 0.00 68.15 70.15 2aff h THR 66 CO 0.16 0.56 -0.81 0.20 0.37 0.00 0.00 175.52 175.99 2aff s ASN 67 N -6.62 3.27 0.53 4.18 0.01 -1.25 -5.14 114.94 109.92 2aff s ASN 67 Ca -0.13 -1.77 -0.21 0.00 -0.71 0.00 0.00 52.86 50.03 2aff s ASN 67 Cb 0.04 -0.40 -0.07 0.00 0.41 0.00 0.00 41.25 41.23 2aff s ASN 67 CO 0.81 -0.37 1.00 -2.65 -1.51 0.00 0.00 177.10 174.38 2aff n PRO 68 N 4.60 1.13 -2.65 -0.60 -0.02 -1.13 -4.66 135.00 131.67 2aff n PRO 68 Ca 0.03 0.42 -0.34 0.00 -2.02 0.00 0.00 63.50 61.59 2aff n PRO 68 Cb 0.39 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 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 4.01 -0.05 3.45 2.01 -1.26 -4.86 115.64 117.51 2aff s THR 69 Ca 0.70 1.32 0.01 0.00 0.31 0.00 0.00 61.69 64.03 2aff s THR 69 Cb -0.46 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 2aff s THR 69 CO 0.51 -0.21 -0.06 -1.10 -0.69 0.00 0.00 174.62 173.08 2aff s GLN 70 N -3.03 2.73 -0.03 4.92 -0.21 0.44 -1.00 119.66 123.48 2aff s GLN 70 Ca 0.63 -0.57 0.02 0.00 0.02 0.00 0.00 55.36 55.46 2aff s GLN 70 Cb -0.15 -2.59 0.00 0.00 1.00 0.00 0.00 33.01 31.27 2aff s GLN 70 CO 0.19 0.65 -0.09 0.08 -2.12 0.00 0.00 175.29 174.01 2aff s VAL 71 N -0.87 0.77 -1.29 1.09 1.01 0.50 0.23 120.40 121.84 2aff s VAL 71 Ca 0.14 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 2aff s VAL 71 Cb -0.11 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.61 2aff s VAL 71 CO 0.03 0.24 0.33 0.59 0.00 0.00 0.00 175.10 176.29 2aff n ASN 72 N 3.33 -4.42 -1.09 3.32 3.02 -0.80 0.12 115.26 118.75 2aff n ASN 72 Ca -0.19 -0.16 -0.10 0.00 -0.03 0.00 0.00 54.58 54.11 2aff n ASN 72 Cb 0.54 -3.66 -0.01 0.00 -0.61 0.00 0.00 39.78 36.04 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 -1.12 0.08 3.03 7.41 0.00 -1.26 -5.03 105.19 108.30 2aff n GLY 73 Ca -0.09 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.59 -0.08 0.30 1.61 0.15 0.12 -5.10 113.70 108.10 2aff s SER 74 Ca 0.00 0.12 -0.29 0.00 0.70 0.00 0.00 55.95 56.48 2aff s SER 74 Cb 0.00 0.25 -0.10 0.00 -1.71 0.00 0.00 66.02 64.46 2aff s SER 74 CO 0.00 -0.13 1.30 -0.69 1.20 0.00 0.00 173.24 174.91 2aff s VAL 75 N -0.35 2.87 -0.58 4.45 1.01 -1.26 0.19 120.40 126.74 2aff s VAL 75 Ca -0.04 0.83 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 2aff s VAL 75 Cb -0.03 -3.53 0.15 0.00 0.00 0.00 0.00 36.38 32.97 2aff s VAL 75 CO 0.00 0.18 0.39 0.27 0.00 0.00 0.00 175.10 175.94 2aff s ILE 76 N -0.84 3.64 0.44 2.22 -4.36 -0.17 -4.85 121.20 117.28 2aff s ILE 76 Ca 0.51 -2.74 0.18 0.00 -0.26 0.00 0.00 60.65 58.34 2aff s ILE 76 Cb -0.39 -3.40 0.21 0.00 1.25 0.00 0.00 42.46 40.14 2aff s ILE 76 CO 0.48 -0.84 2.02 0.44 0.24 0.00 0.00 174.94 177.28 2aff h ASP 77 N 7.28 0.00 -3.28 4.36 3.32 -1.95 -3.42 116.42 122.73 2aff h ASP 77 Ca -0.04 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.43 2aff h ASP 77 Cb 0.98 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.39 2aff h ASP 77 CO 0.71 0.17 -0.50 -1.61 -1.72 0.00 0.00 179.24 176.30 2aff s GLU 78 N -4.50 1.98 0.54 3.56 2.02 -1.26 -4.88 118.70 116.15 2aff s GLU 78 Ca -0.04 -2.22 -0.22 0.00 0.02 0.00 0.00 54.97 52.52 2aff s GLU 78 Cb 0.15 -0.52 -0.05 0.00 0.10 0.00 0.00 34.13 33.81 2aff s GLU 78 CO 0.66 -0.54 1.36 -2.14 0.02 0.00 0.00 175.26 174.63 2aff s PRO 79 N -3.65 3.16 -0.01 0.39 0.02 -1.26 -4.60 135.00 129.06 2aff s PRO 79 Ca 0.23 2.25 -0.00 0.00 0.02 0.00 0.00 61.00 63.49 2aff s PRO 79 Cb 0.01 -2.28 0.01 0.00 0.02 0.00 0.00 34.50 32.27 2aff s PRO 79 CO 0.16 -1.18 0.02 0.54 -0.33 0.00 0.00 177.00 176.21 2aff s VAL 80 N -1.30 -0.01 0.05 3.83 0.11 -0.43 -4.98 120.40 117.67 2aff s VAL 80 Ca 0.71 0.04 -0.31 0.00 -2.93 0.00 0.00 61.98 59.50 2aff s VAL 80 Cb -0.41 -0.04 -0.06 0.00 -1.53 0.00 0.00 36.38 34.34 2aff s VAL 80 CO 0.48 0.02 1.25 -0.60 -3.33 0.00 0.00 175.10 172.92 2aff s ARG 81 N 0.23 4.39 0.21 1.54 3.52 -1.26 -0.59 118.95 126.98 2aff s ARG 81 Ca -0.02 1.83 -0.29 0.00 -0.13 0.00 0.00 55.73 57.12 2aff s ARG 81 Cb -0.03 -3.37 -0.08 0.00 -1.56 0.00 0.00 34.95 29.91 2aff s ARG 81 CO -0.01 -0.34 0.89 -0.51 -0.81 0.00 0.00 175.30 174.53 2aff s LEU 82 N 1.31 4.62 0.05 -0.88 1.43 0.34 -4.91 118.68 120.65 2aff s LEU 82 Ca 0.60 1.85 0.02 0.00 -1.03 0.00 0.00 54.13 55.56 2aff s LEU 82 Cb -0.30 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 2aff s LEU 82 CO 0.28 0.16 -0.07 -0.75 0.23 0.00 0.00 176.35 176.20 2aff s LYS 83 N -1.08 0.55 -0.25 1.70 2.20 -1.26 -4.42 119.74 117.18 2aff s LYS 83 Ca 0.40 -0.86 -0.35 0.00 -0.36 0.00 0.00 55.97 54.80 2aff s LYS 83 Cb -0.25 -0.20 -0.12 0.00 -1.51 0.00 0.00 37.83 35.75 2aff s LYS 83 CO 0.30 0.02 2.02 1.58 -0.36 0.00 0.00 175.35 178.91 2aff n HIS 84 N 1.16 1.92 0.00 4.03 -0.00 -1.26 0.09 115.22 121.16 2aff n HIS 84 Ca -0.21 0.22 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 2aff n HIS 84 Cb 0.56 -2.57 0.00 0.00 -0.00 0.00 0.00 29.99 27.98 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 5.44 2.40 3.71 1.57 0.00 -1.05 -4.99 105.19 112.27 2aff n GLY 85 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.70 6.68 -0.12 1.61 -1.08 0.11 -4.83 116.67 117.34 2aff s ASP 86 Ca 0.00 2.49 -0.02 0.00 -0.52 0.00 0.00 52.55 54.50 2aff s ASP 86 Cb 0.00 -2.59 -0.03 0.00 -1.46 0.00 0.00 42.92 38.84 2aff s ASP 86 CO 0.00 -0.77 -0.04 0.54 0.52 0.00 0.00 175.17 175.42 2aff s VAL 87 N 1.28 3.90 -0.20 1.11 0.11 -1.26 -2.27 120.40 123.06 2aff s VAL 87 Ca 0.68 -0.38 -0.10 0.00 -2.93 0.00 0.00 61.98 59.25 2aff s VAL 87 Cb -0.41 -2.67 -0.05 0.00 -1.53 0.00 0.00 36.38 31.73 2aff s VAL 87 CO 0.31 0.54 0.14 -0.63 -3.33 0.00 0.00 175.10 172.12 2aff s ILE 88 N -0.11 5.40 -0.10 7.04 1.01 -0.56 -1.91 121.20 131.96 2aff s ILE 88 Ca 0.02 0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.90 2aff s ILE 88 Cb -0.13 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.87 2aff s ILE 88 CO 0.03 0.43 -0.18 -0.89 0.00 0.00 0.00 174.94 174.32 2aff s THR 89 N 0.44 1.68 -0.15 2.92 2.01 0.63 0.19 115.64 123.36 2aff s THR 89 Ca 0.08 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.32 2aff s THR 89 Cb -0.11 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 70.90 2aff s THR 89 CO -0.01 0.48 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.59 2aff s ILE 90 N 0.69 2.49 0.00 1.82 1.01 0.66 -0.42 121.20 127.46 2aff s ILE 90 Ca -0.12 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.69 2aff s ILE 90 Cb -0.16 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.27 2aff s ILE 90 CO 0.03 0.53 0.00 -0.38 0.00 0.00 0.00 174.94 175.11 2aff n ILE 91 N 4.00 0.00 -0.04 2.92 5.41 -1.26 0.29 119.36 130.68 2aff n ILE 91 Ca -0.19 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.62 2aff n ILE 91 Cb 0.52 0.00 0.15 0.00 -0.71 0.00 0.00 39.64 39.60 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 2.76 2.85 -4.27 4.38 8.00 -1.26 -4.97 116.55 124.03 2aff n ASP 92 Ca 0.00 -1.90 -0.29 0.00 0.71 0.00 0.00 54.79 53.31 2aff n ASP 92 Cb 0.00 -0.21 -0.16 0.00 -0.02 0.00 0.00 41.12 40.74 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 -1.01 1.85 0.04 -1.24 0.52 0.84 -4.60 118.95 115.35 2aff s ARG 93 Ca 0.24 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.58 2aff s ARG 93 Cb 0.13 -1.83 -0.03 0.00 0.52 0.00 0.00 34.95 33.75 2aff s ARG 93 CO 0.18 0.50 -0.05 0.45 0.02 0.00 0.00 175.30 176.39 2aff s SER 94 N -0.67 0.60 -0.16 0.23 0.15 -1.26 0.24 113.70 112.83 2aff s SER 94 Ca 0.09 -0.63 0.01 0.00 0.70 0.00 0.00 55.95 56.12 2aff s SER 94 Cb -0.09 0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.33 2aff s SER 94 CO -0.00 -0.32 -0.18 -0.36 1.20 0.00 0.00 173.24 173.58 2aff s PHE 95 N -1.95 2.49 -0.05 3.44 0.08 0.13 -2.03 117.98 120.08 2aff s PHE 95 Ca -0.08 -1.41 -0.25 0.00 0.12 0.00 0.00 56.93 55.31 2aff s PHE 95 Cb -0.06 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.60 2aff s PHE 95 CO -0.02 -0.71 0.77 0.50 -0.10 0.00 0.00 175.22 175.66 2aff s ARG 96 N 1.28 4.47 -0.23 0.44 3.52 -0.89 -1.50 118.95 126.04 2aff s ARG 96 Ca 0.03 1.02 -0.17 0.00 -0.13 0.00 0.00 55.73 56.48 2aff s ARG 96 Cb -0.13 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 2aff s ARG 96 CO -0.10 0.03 0.44 -0.47 -0.81 0.00 0.00 175.30 174.39 2aff s TYR 97 N 0.86 3.32 -0.13 5.12 5.04 -0.96 -2.15 117.35 128.45 2aff s TYR 97 Ca 0.41 0.60 0.02 0.00 -2.44 0.00 0.00 57.07 55.66 2aff s TYR 97 Cb -0.19 -2.60 0.01 0.00 0.35 0.00 0.00 41.96 39.54 2aff s TYR 97 CO 0.21 -0.13 -0.18 -1.21 -1.34 0.00 0.00 175.55 172.90 2aff s GLU 98 N 1.74 2.55 -0.45 4.97 2.02 -0.81 -2.53 118.70 126.19 2aff s GLU 98 Ca 0.19 -0.68 -0.10 0.00 0.02 0.00 0.00 54.97 54.40 2aff s GLU 98 Cb -0.15 -2.15 0.10 0.00 0.10 0.00 0.00 34.13 32.03 2aff s GLU 98 CO 0.09 -0.08 0.33 1.21 0.02 0.00 0.00 175.26 176.83 2aff s ASN 99 N 1.02 5.76 0.00 -0.19 3.84 -1.26 -1.93 114.94 122.18 2aff s ASN 99 Ca -0.04 -1.65 0.20 0.00 0.21 0.00 0.00 52.86 51.57 2aff s ASN 99 Cb -0.15 -2.04 0.16 0.00 -0.55 0.00 0.00 41.25 38.67 2aff s ASN 99 CO -0.04 -0.63 1.12 1.21 -2.79 0.00 0.00 177.10 175.97