#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aff h THR 4 N 0.00 0.90 -2.97 0.52 1.35 -1.91 -3.47 112.91 107.34 2aff h THR 4 Ca 0.00 -2.11 -0.63 0.00 -0.55 0.00 0.00 66.41 63.12 2aff h THR 4 Cb 0.00 2.14 -0.09 0.00 -1.73 0.00 0.00 68.15 68.47 2aff h THR 4 CO 0.00 0.31 -0.44 -0.13 -0.25 0.00 0.00 175.52 175.01 2aff s ARG 5 N -2.34 3.84 0.04 4.72 0.52 -1.26 -1.27 118.95 123.20 2aff s ARG 5 Ca -0.27 -0.08 -0.02 0.00 -0.52 0.00 0.00 55.73 54.84 2aff s ARG 5 Cb 0.05 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 2aff s ARG 5 CO 0.57 0.54 -0.00 -0.98 0.02 0.00 0.00 175.30 175.45 2aff s ARG 6 N -0.37 0.50 0.05 3.54 1.70 -0.44 -2.04 118.95 121.91 2aff s ARG 6 Ca 0.14 -0.91 0.09 0.00 -0.47 0.00 0.00 55.73 54.58 2aff s ARG 6 Cb -0.12 0.18 -0.03 0.00 -0.57 0.00 0.00 34.95 34.41 2aff s ARG 6 CO 0.03 -0.10 -0.24 -0.51 -1.08 0.00 0.00 175.30 173.40 2aff s LEU 7 N -2.25 2.31 -0.13 -1.89 1.43 -0.89 -1.46 118.68 115.80 2aff s LEU 7 Ca -0.04 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 2aff s LEU 7 Cb -0.00 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 2aff s LEU 7 CO -0.06 0.25 -0.14 -0.69 0.23 0.00 0.00 176.35 175.95 2aff s VAL 8 N -0.87 2.99 -0.29 -1.59 1.01 -0.86 -0.47 120.40 120.33 2aff s VAL 8 Ca 0.13 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 2aff s VAL 8 Cb -0.10 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 2aff s VAL 8 CO 0.03 0.53 0.56 -0.89 0.00 0.00 0.00 175.10 175.33 2aff s THR 9 N 0.36 5.01 0.21 3.92 2.01 -0.87 -2.01 115.64 124.27 2aff s THR 9 Ca -0.11 0.81 -0.22 0.00 0.31 0.00 0.00 61.69 62.47 2aff s THR 9 Cb -0.16 -3.92 -0.08 0.00 0.01 0.00 0.00 72.50 68.35 2aff s THR 9 CO 0.06 -0.05 0.76 -0.63 -0.69 0.00 0.00 174.62 174.07 2aff s ILE 10 N 2.45 4.47 0.48 1.82 1.01 -0.95 -2.28 121.20 128.19 2aff s ILE 10 Ca 0.23 1.48 0.03 0.00 0.00 0.00 0.00 60.65 62.38 2aff s ILE 10 Cb -0.15 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.36 2aff s ILE 10 CO 0.11 0.32 0.68 -0.54 0.00 0.00 0.00 174.94 175.50 2aff s LYS 11 N -1.68 2.80 0.46 2.79 1.02 0.49 -4.59 119.74 121.02 2aff s LYS 11 Ca 0.41 -0.79 0.16 0.00 0.02 0.00 0.00 55.97 55.77 2aff s LYS 11 Cb -0.19 -2.58 1.13 0.00 -0.52 0.00 0.00 37.83 35.67 2aff s LYS 11 CO 0.23 -0.44 2.00 0.00 -0.92 0.00 0.00 175.35 176.23 2aff h ARG 12 N 0.34 0.27 -0.00 1.68 3.08 -1.89 0.41 114.38 118.27 2aff h ARG 12 Ca -0.43 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2aff h ARG 12 Cb 1.28 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2aff h ARG 12 CO 0.53 0.18 -0.01 0.43 -1.07 0.00 0.00 179.97 180.02 2aff n SER 13 N -4.46 0.02 -0.30 7.04 7.64 -1.26 -4.89 113.62 117.41 2aff n SER 13 Ca 0.08 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2aff n SER 13 Cb 0.38 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 1.38 0.98 3.24 0.23 0.00 0.14 -5.08 105.19 106.08 2aff n GLY 14 Ca 0.11 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.60 2.13 0.18 1.61 1.01 -1.24 -4.82 120.40 116.67 2aff s VAL 15 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 2aff s VAL 15 Cb 0.00 -1.81 -0.08 0.00 0.00 0.00 0.00 36.38 34.49 2aff s VAL 15 CO 0.00 0.56 1.04 -1.81 0.00 0.00 0.00 175.10 174.89 2aff s ASP 16 N 0.26 7.38 0.00 3.32 1.01 -1.26 -0.38 116.67 127.00 2aff s ASP 16 Ca -0.16 2.02 0.00 0.00 0.71 0.00 0.00 52.55 55.12 2aff s ASP 16 Cb -0.17 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.15 2aff s ASP 16 CO 0.08 -0.11 0.00 0.61 0.21 0.00 0.00 175.17 175.96 2aff n GLY 17 N 1.91 3.48 3.78 0.21 0.00 -0.97 -4.96 105.19 108.64 2aff n GLY 17 Ca 0.01 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 2.49 3.64 0.23 1.61 0.04 -1.26 -4.74 135.00 137.00 2aff s PRO 18 Ca 0.00 1.55 0.09 0.00 0.04 0.00 0.00 61.00 62.68 2aff s PRO 18 Cb 0.00 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 2aff s PRO 18 CO 0.00 -0.60 -0.04 -3.38 0.04 0.00 0.00 177.00 173.02 2aff s HIS 19 N -1.79 2.68 -0.40 0.56 -3.43 -1.26 -2.06 115.29 109.59 2aff s HIS 19 Ca 0.68 -0.22 0.02 0.00 -0.80 0.00 0.00 55.06 54.75 2aff s HIS 19 Cb -0.22 -1.24 0.11 0.00 -1.43 0.00 0.00 32.58 29.80 2aff s HIS 19 CO 0.26 0.58 0.14 0.12 -2.00 0.00 0.00 174.74 173.84 2aff s PHE 20 N -2.06 3.61 0.10 0.38 5.36 0.38 -4.97 117.98 120.78 2aff s PHE 20 Ca 0.29 -2.90 -0.30 0.00 -0.96 0.00 0.00 56.93 53.05 2aff s PHE 20 Cb -0.07 -2.99 -0.06 0.00 -0.34 0.00 0.00 43.02 39.55 2aff s PHE 20 CO 0.18 -0.91 1.18 -1.25 -1.46 0.00 0.00 175.22 172.96 2aff s PRO 21 N 0.69 4.47 -1.25 10.12 0.04 -1.26 -2.09 135.00 145.71 2aff s PRO 21 Ca 0.12 1.78 -0.17 0.00 0.04 0.00 0.00 61.00 62.77 2aff s PRO 21 Cb -0.21 -3.32 0.11 0.00 0.04 0.00 0.00 34.50 31.12 2aff s PRO 21 CO -0.06 -0.18 1.61 -0.51 0.04 0.00 0.00 177.00 177.91 2aff s LEU 22 N 0.62 4.27 0.04 -3.56 1.43 -0.86 -4.64 118.68 115.97 2aff s LEU 22 Ca 0.56 -2.59 0.27 0.00 -1.03 0.00 0.00 54.13 51.34 2aff s LEU 22 Cb -0.30 -2.51 0.82 0.00 0.03 0.00 0.00 46.19 44.23 2aff s LEU 22 CO 0.31 -1.03 1.66 -1.54 0.23 0.00 0.00 176.35 175.97 2aff n SER 23 N 7.43 0.35 -4.73 2.29 3.41 -1.26 -4.71 113.62 116.42 2aff n SER 23 Ca 0.44 0.20 -0.31 0.00 -0.26 0.00 0.00 58.87 58.94 2aff n SER 23 Cb 0.45 -0.19 -0.07 0.00 -0.26 0.00 0.00 64.21 64.14 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 -3.33 3.62 0.34 1.04 1.43 -1.26 -5.00 118.68 115.52 2aff s LEU 24 Ca 0.12 -0.08 0.26 0.00 -1.03 0.00 0.00 54.13 53.40 2aff s LEU 24 Cb 0.17 -2.29 1.14 0.00 0.03 0.00 0.00 46.19 45.24 2aff s LEU 24 CO 0.62 0.19 1.78 -1.28 0.23 0.00 0.00 176.35 177.89 2aff h SER 25 N 3.51 0.00 -3.41 2.29 0.87 -1.93 -3.42 113.55 111.46 2aff h SER 25 Ca -0.47 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 59.54 2aff h SER 25 Cb 1.17 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.79 2aff h SER 25 CO 0.62 0.00 -0.83 -0.89 -0.53 0.00 0.00 176.83 175.20 2aff s THR 26 N -3.45 1.30 -0.21 2.23 2.01 -1.26 -0.84 115.64 115.42 2aff s THR 26 Ca 0.02 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.46 2aff s THR 26 Cb 0.09 -1.17 0.05 0.00 0.01 0.00 0.00 72.50 71.47 2aff s THR 26 CO 0.38 0.39 -0.10 0.00 -0.69 0.00 0.00 174.62 174.61 2aff s LEU 28 N 1.35 2.55 -0.15 0.00 2.96 -1.26 -0.70 118.68 123.43 2aff s LEU 28 Ca -0.03 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.47 2aff s LEU 28 Cb -0.17 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2aff s LEU 28 CO -0.08 0.18 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.75 2aff s PHE 29 N 0.23 3.05 -3.35 5.38 0.40 0.13 -0.30 117.98 123.52 2aff s PHE 29 Ca -0.11 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 2aff s PHE 29 Cb -0.16 -1.94 0.00 0.00 0.51 0.00 0.00 43.02 41.43 2aff s PHE 29 CO 0.06 0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.42 2aff n GLY 30 N 3.37 -1.87 0.08 4.36 0.00 -0.89 -2.34 105.19 107.91 2aff n GLY 30 Ca -0.17 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 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 0.12 -6.59 1.61 3.08 -0.84 -3.16 114.38 108.59 2aff h ARG 31 Ca 0.00 -0.20 -0.58 0.00 0.07 0.00 0.00 59.98 59.27 2aff h ARG 31 Cb 0.00 0.07 0.15 0.00 0.08 0.00 0.00 29.97 30.27 2aff h ARG 31 CO 0.00 1.09 -0.05 0.41 -1.07 0.00 0.00 179.97 180.35 2aff n GLY 32 N 1.43 -0.69 0.23 0.04 0.00 -1.11 -4.86 105.19 100.23 2aff n GLY 32 Ca -0.04 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 0.98 1.23 -0.06 -0.61 1.08 -1.91 -2.00 117.51 116.23 2aff h ILE 33 Ca -0.45 -0.81 0.02 0.00 -0.39 0.00 0.00 64.86 63.23 2aff h ILE 33 Cb 1.36 0.86 -0.00 0.00 -3.07 0.00 0.00 36.82 35.97 2aff h ILE 33 CO 0.53 0.29 0.27 -0.08 -0.69 0.00 0.00 178.15 178.47 2aff h GLU 34 N 0.64 0.00 -6.60 2.37 4.81 -1.96 -3.42 114.58 110.42 2aff h GLU 34 Ca 0.15 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.85 2aff h GLU 34 Cb 0.31 0.00 0.06 0.00 0.63 0.00 0.00 28.75 29.75 2aff h GLU 34 CO -0.00 0.00 1.00 0.00 -0.73 0.00 0.00 179.01 179.28 2aff h ASP 36 N 6.97 0.38 -3.15 0.00 3.32 -0.91 -3.38 116.42 119.66 2aff h ASP 36 Ca -0.44 -0.02 -0.58 0.00 0.02 0.00 0.00 57.03 56.01 2aff h ASP 36 Cb 1.21 -0.10 -0.36 0.00 0.22 0.00 0.00 39.33 40.30 2aff h ASP 36 CO 0.95 0.32 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.34 2aff s ILE 37 N -5.30 1.41 -0.12 0.35 1.01 -0.17 -4.95 121.20 113.44 2aff s ILE 37 Ca -0.07 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 2aff s ILE 37 Cb 0.17 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 2aff s ILE 37 CO 0.73 0.42 0.06 -0.13 0.00 0.00 0.00 174.94 176.02 2aff s ARG 38 N 1.55 3.36 -0.08 2.79 0.52 -1.26 -2.10 118.95 123.73 2aff s ARG 38 Ca 0.05 -0.29 0.04 0.00 -0.52 0.00 0.00 55.73 55.01 2aff s ARG 38 Cb -0.13 -3.03 -0.00 0.00 0.52 0.00 0.00 34.95 32.31 2aff s ARG 38 CO -0.10 0.64 -0.23 0.42 0.02 0.00 0.00 175.30 176.05 2aff s ILE 39 N -0.67 1.94 -0.36 1.52 1.01 -1.19 -4.99 121.20 118.46 2aff s ILE 39 Ca 0.12 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2aff s ILE 39 Cb -0.12 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.68 2aff s ILE 39 CO 0.02 0.54 0.62 0.00 0.00 0.00 0.00 174.94 176.12 2aff n GLN 40 N 3.37 0.76 -3.92 2.79 6.02 -1.26 -4.69 117.38 120.45 2aff n GLN 40 Ca -0.19 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.45 2aff n GLN 40 Cb 0.53 -1.21 -0.09 0.00 1.02 0.00 0.00 30.24 30.48 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 4.00 0.17 1.08 1.43 -1.26 -4.98 118.68 119.12 2aff s LEU 41 Ca 0.00 0.18 0.22 0.00 -1.03 0.00 0.00 54.13 53.51 2aff s LEU 41 Cb 0.00 -2.01 0.89 0.00 0.03 0.00 0.00 46.19 45.10 2aff s LEU 41 CO 0.00 0.22 1.69 -0.81 0.23 0.00 0.00 176.35 177.67 2aff n PRO 42 N 3.26 0.14 -0.05 1.29 -0.04 -1.26 -2.39 135.00 135.95 2aff n PRO 42 Ca -0.17 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 2aff n PRO 42 Cb 0.53 -1.74 0.37 0.00 -0.04 0.00 0.00 33.50 32.61 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 -2.01 0.13 -3.35 0.52 0.24 -1.26 -4.84 118.33 107.76 2aff n VAL 43 Ca 0.03 -0.39 -0.38 0.00 -2.04 0.00 0.00 64.34 61.57 2aff n VAL 43 Cb 0.26 0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 33.26 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 -1.87 5.08 1.07 3.34 1.01 -1.01 -4.92 120.40 123.11 2aff s VAL 44 Ca 0.35 0.97 -0.16 0.00 0.00 0.00 0.00 61.98 63.14 2aff s VAL 44 Cb 0.20 -3.81 0.23 0.00 0.00 0.00 0.00 36.38 33.00 2aff s VAL 44 CO 0.30 0.42 1.15 -0.44 0.00 0.00 0.00 175.10 176.53 2aff s SER 45 N -0.02 2.08 0.17 3.32 0.01 -1.26 -4.48 113.70 113.52 2aff s SER 45 Ca 0.26 0.72 -0.12 0.00 1.31 0.00 0.00 55.95 58.12 2aff s SER 45 Cb -0.16 -1.06 0.07 0.00 0.21 0.00 0.00 66.02 65.08 2aff s SER 45 CO 0.12 -3.41 1.72 0.11 0.41 0.00 0.00 173.24 172.19 2aff h LYS 46 N -2.09 0.89 0.00 12.44 1.57 -1.93 0.13 116.57 127.57 2aff h LYS 46 Ca -0.48 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 2aff h LYS 46 Cb 1.30 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2aff h LYS 46 CO 0.44 0.77 -0.85 1.04 -0.57 0.00 0.00 179.45 180.28 2aff n GLN 47 N -4.46 1.85 0.00 3.15 6.02 -1.26 -2.74 117.38 119.94 2aff n GLN 47 Ca 0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2aff n GLN 47 Cb 0.17 -0.95 0.00 0.00 1.02 0.00 0.00 30.24 30.48 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 -1.45 0.00 -4.70 1.08 -0.00 -1.02 -3.79 115.22 105.34 2aff n HIS 48 Ca -0.00 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.93 2aff n HIS 48 Cb 0.08 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.79 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 0.12 1.82 -0.09 0.00 2.20 -0.19 0.17 119.74 123.77 2aff s LYS 50 Ca -0.04 -0.55 0.04 0.00 -0.36 0.00 0.00 55.97 55.06 2aff s LYS 50 Cb -0.11 -1.53 -0.01 0.00 -1.51 0.00 0.00 37.83 34.67 2aff s LYS 50 CO 0.02 0.16 -0.23 0.42 -0.36 0.00 0.00 175.35 175.35 2aff s ILE 51 N 0.28 2.16 -0.16 5.43 1.01 0.12 0.46 121.20 130.51 2aff s ILE 51 Ca -0.09 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 59.56 2aff s ILE 51 Cb -0.13 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 2aff s ILE 51 CO 0.03 0.56 -0.13 -0.70 0.00 0.00 0.00 174.94 174.70 2aff s GLU 52 N 0.14 3.28 -0.23 2.79 2.12 -0.60 -1.93 118.70 124.28 2aff s GLU 52 Ca -0.12 -0.72 -0.17 0.00 0.36 0.00 0.00 54.97 54.32 2aff s GLU 52 Cb -0.16 -2.67 -0.03 0.00 0.26 0.00 0.00 34.13 31.52 2aff s GLU 52 CO 0.07 0.05 0.44 0.42 -0.54 0.00 0.00 175.26 175.70 2aff s ILE 53 N 0.76 5.14 -0.13 -3.70 -1.09 -0.02 -1.73 121.20 120.43 2aff s ILE 53 Ca -0.05 0.76 0.02 0.00 -2.23 0.00 0.00 60.65 59.15 2aff s ILE 53 Cb -0.15 -3.77 -0.00 0.00 -1.58 0.00 0.00 42.46 36.96 2aff s ILE 53 CO 0.01 0.18 -0.19 -1.00 -1.23 0.00 0.00 174.94 172.71 2aff s HIS 54 N 1.78 2.70 0.53 3.97 3.76 0.62 -4.96 115.29 123.69 2aff s HIS 54 Ca 0.20 -1.04 0.45 0.00 -0.15 0.00 0.00 55.06 54.52 2aff s HIS 54 Cb -0.15 -1.81 1.67 0.00 1.11 0.00 0.00 32.58 33.39 2aff s HIS 54 CO 0.09 -0.44 1.60 0.93 -0.85 0.00 0.00 174.74 176.06 2aff h GLU 55 N 7.04 0.01 0.16 1.40 5.08 -2.02 0.41 114.58 126.65 2aff h GLU 55 Ca -0.27 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2aff h GLU 55 Cb 1.21 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2aff h GLU 55 CO 0.54 0.01 -0.08 1.96 -1.00 0.00 0.00 179.01 180.43 2aff h GLN 56 N 0.01 -0.21 0.00 2.33 4.20 -2.01 -3.49 115.11 115.94 2aff h GLN 56 Ca 0.89 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 59.54 2aff h GLN 56 Cb 3.44 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 31.25 2aff h GLN 56 CO -0.11 -0.14 -0.03 -1.91 -0.67 0.00 0.00 178.83 175.98 2aff n GLU 57 N -2.81 0.22 -4.87 1.46 4.07 0.14 -5.16 120.64 113.69 2aff n GLU 57 Ca -0.03 -0.80 -0.33 0.00 -0.06 0.00 0.00 57.16 55.95 2aff n GLU 57 Cb 0.08 0.79 -0.14 0.00 -0.06 0.00 0.00 31.44 32.10 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2aff s ALA 58 N -1.86 2.56 -0.15 4.31 0.00 -1.26 -0.28 121.76 125.08 2aff s ALA 58 Ca 0.08 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 2aff s ALA 58 Cb -0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 2aff s ALA 58 CO 0.06 0.32 -0.11 0.42 0.00 0.00 0.00 175.76 176.45 2aff s ILE 59 N 0.11 3.19 -0.22 0.00 -1.09 -0.71 -0.42 121.20 122.07 2aff s ILE 59 Ca -0.07 -0.60 -0.12 0.00 -2.23 0.00 0.00 60.65 57.63 2aff s ILE 59 Cb -0.15 -2.37 -0.05 0.00 -1.58 0.00 0.00 42.46 38.32 2aff s ILE 59 CO 0.05 0.50 0.21 -0.22 -1.23 0.00 0.00 174.94 174.25 2aff s LEU 60 N 0.56 4.15 -0.04 2.97 2.96 0.63 -1.56 118.68 128.35 2aff s LEU 60 Ca -0.07 0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.15 2aff s LEU 60 Cb -0.15 -2.20 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 2aff s LEU 60 CO 0.03 0.07 -0.22 -1.00 -1.32 0.00 0.00 176.35 173.91 2aff s HIS 61 N 0.90 2.48 -0.35 5.38 3.76 0.17 -1.79 115.29 125.84 2aff s HIS 61 Ca 0.10 -0.39 -0.12 0.00 -0.15 0.00 0.00 55.06 54.50 2aff s HIS 61 Cb -0.13 -1.56 -0.00 0.00 1.11 0.00 0.00 32.58 31.99 2aff s HIS 61 CO 0.04 0.01 0.22 1.21 -0.85 0.00 0.00 174.74 175.37 2aff s ASN 62 N -0.56 5.91 0.00 1.40 3.04 -1.26 -1.02 114.94 122.44 2aff s ASN 62 Ca 0.08 -0.59 0.19 0.00 0.04 0.00 0.00 52.86 52.58 2aff s ASN 62 Cb -0.11 -2.10 -0.13 0.00 -1.54 0.00 0.00 41.25 37.38 2aff s ASN 62 CO 0.00 -0.28 0.87 0.49 -3.04 0.00 0.00 177.10 175.14 2aff n PHE 63 N 5.07 0.00 -2.76 0.43 3.01 1.00 -4.84 117.46 119.38 2aff n PHE 63 Ca -0.13 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.91 2aff n PHE 63 Cb 0.49 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.92 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 -2.55 6.20 0.17 4.37 0.01 -0.46 -4.59 113.70 116.85 2aff s SER 64 Ca 0.11 -0.89 0.03 0.00 1.31 0.00 0.00 55.95 56.51 2aff s SER 64 Cb 0.15 -2.47 -0.00 0.00 0.21 0.00 0.00 66.02 63.91 2aff s SER 64 CO 0.66 -1.55 1.38 0.28 0.41 0.00 0.00 173.24 174.42 2aff h SER 65 N 9.68 0.21 -0.32 2.44 0.02 -1.91 -2.70 113.55 120.98 2aff h SER 65 Ca -0.25 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.51 2aff h SER 65 Cb 1.06 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2aff h SER 65 CO 1.22 0.98 0.12 0.74 -1.14 0.00 0.00 176.83 178.75 2aff h THR 66 N 0.09 1.19 -2.41 -2.27 2.02 -1.99 -3.39 112.91 106.15 2aff h THR 66 Ca -0.04 -0.59 -0.49 0.00 0.77 0.00 0.00 66.41 66.06 2aff h THR 66 Cb 1.51 0.98 -0.36 0.00 -1.74 0.00 0.00 68.15 68.54 2aff h THR 66 CO 0.13 0.20 -0.77 0.20 0.37 0.00 0.00 175.52 175.65 2aff s ASN 67 N -5.78 2.45 0.60 4.18 0.01 -1.23 -5.14 114.94 110.03 2aff s ASN 67 Ca -0.13 -1.69 -0.19 0.00 -0.71 0.00 0.00 52.86 50.13 2aff s ASN 67 Cb 0.09 -0.03 -0.04 0.00 0.41 0.00 0.00 41.25 41.68 2aff s ASN 67 CO 0.74 -0.33 1.11 -2.65 -1.51 0.00 0.00 177.10 174.46 2aff n PRO 68 N 4.47 1.10 -1.67 -0.60 -0.02 -1.02 -4.73 135.00 132.54 2aff n PRO 68 Ca 0.07 0.42 -0.32 0.00 -2.02 0.00 0.00 63.50 61.64 2aff n PRO 68 Cb 0.41 -2.32 0.05 0.00 -0.02 0.00 0.00 33.50 31.63 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 -1.43 3.38 -0.03 3.45 2.01 -1.26 -4.79 115.64 116.97 2aff s THR 69 Ca 0.76 0.59 0.04 0.00 0.31 0.00 0.00 61.69 63.39 2aff s THR 69 Cb -0.41 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 2aff s THR 69 CO 0.46 -0.45 -0.15 -1.10 -0.69 0.00 0.00 174.62 172.68 2aff s GLN 70 N -4.34 2.42 -0.03 4.92 -0.21 0.66 -0.69 119.66 122.39 2aff s GLN 70 Ca 0.65 -0.75 0.03 0.00 0.02 0.00 0.00 55.36 55.30 2aff s GLN 70 Cb -0.19 -2.34 0.00 0.00 1.00 0.00 0.00 33.01 31.49 2aff s GLN 70 CO 0.45 0.61 -0.12 0.08 -2.12 0.00 0.00 175.29 174.19 2aff s VAL 71 N -0.77 0.99 -1.25 1.09 1.01 0.50 0.23 120.40 122.21 2aff s VAL 71 Ca 0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2aff s VAL 71 Cb -0.11 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.43 2aff s VAL 71 CO 0.01 0.30 0.23 0.59 0.00 0.00 0.00 175.10 176.24 2aff n ASN 72 N 3.24 -4.32 -1.02 3.32 3.02 -0.39 0.46 115.26 119.58 2aff n ASN 72 Ca -0.18 -0.06 -0.09 0.00 -0.03 0.00 0.00 54.58 54.22 2aff n ASN 72 Cb 0.54 -3.60 -0.01 0.00 -0.61 0.00 0.00 39.78 36.10 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 -1.03 0.08 2.95 7.41 0.00 -1.26 -5.03 105.19 108.31 2aff n GLY 73 Ca -0.11 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.61 -0.07 0.44 1.61 1.04 0.17 -5.11 113.70 109.18 2aff s SER 74 Ca 0.00 0.14 -0.25 0.00 0.48 0.00 0.00 55.95 56.32 2aff s SER 74 Cb 0.00 0.15 -0.08 0.00 0.10 0.00 0.00 66.02 66.19 2aff s SER 74 CO 0.00 -0.03 1.36 0.54 0.98 0.00 0.00 173.24 176.09 2aff s VAL 75 N 0.02 2.33 -0.67 5.02 0.11 -1.26 0.19 120.40 126.12 2aff s VAL 75 Ca -0.00 0.28 -0.01 0.00 -2.93 0.00 0.00 61.98 59.32 2aff s VAL 75 Cb -0.01 -3.16 0.17 0.00 -1.53 0.00 0.00 36.38 31.85 2aff s VAL 75 CO 0.00 0.03 0.49 -0.51 -3.33 0.00 0.00 175.10 171.79 2aff s ILE 76 N -1.25 3.61 0.33 7.04 2.07 0.14 -4.79 121.20 128.35 2aff s ILE 76 Ca 0.61 -3.34 0.06 0.00 -1.41 0.00 0.00 60.65 56.57 2aff s ILE 76 Cb -0.41 -3.34 0.10 0.00 0.13 0.00 0.00 42.46 38.94 2aff s ILE 76 CO 0.52 -0.92 1.80 -2.24 -1.91 0.00 0.00 174.94 172.18 2aff h ASP 77 N 6.58 0.32 -2.66 4.50 2.03 -1.94 -3.42 116.42 121.83 2aff h ASP 77 Ca 0.03 -0.10 -0.53 0.00 -0.73 0.00 0.00 57.03 55.70 2aff h ASP 77 Cb 0.90 -0.09 -0.14 0.00 -0.83 0.00 0.00 39.33 39.17 2aff h ASP 77 CO 0.74 0.56 -0.64 -1.61 -1.03 0.00 0.00 179.24 177.26 2aff s GLU 78 N -4.52 1.69 0.51 4.15 2.02 -1.26 -4.94 118.70 116.35 2aff s GLU 78 Ca -0.06 -1.91 -0.23 0.00 0.02 0.00 0.00 54.97 52.80 2aff s GLU 78 Cb 0.14 -1.23 -0.06 0.00 0.10 0.00 0.00 34.13 33.09 2aff s GLU 78 CO 0.76 -0.04 1.40 -2.14 0.02 0.00 0.00 175.26 175.26 2aff s PRO 79 N -3.76 3.35 0.04 0.39 0.02 -1.26 -4.83 135.00 128.94 2aff s PRO 79 Ca 0.33 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.69 2aff s PRO 79 Cb 0.06 -2.42 -0.03 0.00 0.02 0.00 0.00 34.50 32.14 2aff s PRO 79 CO 0.15 -1.06 -0.04 0.14 -0.33 0.00 0.00 177.00 175.86 2aff s VAL 80 N -1.25 0.28 -0.06 3.83 -7.23 -0.74 -4.97 120.40 110.26 2aff s VAL 80 Ca 0.67 -1.21 -0.30 0.00 -1.81 0.00 0.00 61.98 59.33 2aff s VAL 80 Cb -0.42 -0.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.79 2aff s VAL 80 CO 0.52 -0.60 1.02 -0.13 -0.31 0.00 0.00 175.10 175.59 2aff s ARG 81 N -2.17 4.47 -0.04 4.82 0.52 -1.26 -0.27 118.95 125.02 2aff s ARG 81 Ca -0.08 1.44 -0.27 0.00 -0.52 0.00 0.00 55.73 56.30 2aff s ARG 81 Cb -0.05 -3.50 -0.03 0.00 0.52 0.00 0.00 34.95 31.88 2aff s ARG 81 CO -0.03 -0.22 0.84 -0.51 0.02 0.00 0.00 175.30 175.40 2aff s LEU 82 N 1.61 4.33 0.13 2.53 1.43 0.44 -4.93 118.68 124.22 2aff s LEU 82 Ca 0.51 1.40 0.10 0.00 -1.03 0.00 0.00 54.13 55.11 2aff s LEU 82 Cb -0.20 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 2aff s LEU 82 CO 0.22 -0.20 -0.24 -0.75 0.23 0.00 0.00 176.35 175.61 2aff s LYS 83 N 1.00 1.31 -0.26 1.70 2.20 -1.26 -4.42 119.74 120.01 2aff s LYS 83 Ca 0.44 -1.30 -0.38 0.00 -0.36 0.00 0.00 55.97 54.37 2aff s LYS 83 Cb -0.19 -1.70 -0.14 0.00 -1.51 0.00 0.00 37.83 34.28 2aff s LYS 83 CO 0.22 0.40 1.85 1.58 -0.36 0.00 0.00 175.35 179.04 2aff n HIS 84 N 0.91 2.03 0.00 4.03 -0.00 -1.26 -0.32 115.22 120.61 2aff n HIS 84 Ca -0.18 0.40 0.00 0.00 -0.00 0.00 0.00 57.72 57.94 2aff n HIS 84 Cb 0.54 -2.51 0.00 0.00 -0.00 0.00 0.00 29.99 28.02 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 4.67 2.88 3.73 1.57 0.00 -0.92 -4.98 105.19 112.13 2aff n GLY 85 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.40 6.44 -0.15 1.61 -1.08 0.56 -4.76 116.67 117.88 2aff s ASP 86 Ca 0.00 2.84 -0.03 0.00 -0.52 0.00 0.00 52.55 54.83 2aff s ASP 86 Cb 0.00 -2.61 -0.03 0.00 -1.46 0.00 0.00 42.92 38.82 2aff s ASP 86 CO 0.00 -0.90 -0.04 -0.69 0.52 0.00 0.00 175.17 174.06 2aff s VAL 87 N 0.60 3.82 -0.17 1.11 1.01 -1.26 -2.30 120.40 123.20 2aff s VAL 87 Ca 0.68 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 2aff s VAL 87 Cb -0.47 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2aff s VAL 87 CO 0.39 0.49 0.21 -0.63 0.00 0.00 0.00 175.10 175.57 2aff s ILE 88 N 0.38 5.36 -0.09 2.22 1.01 -0.99 -1.26 121.20 127.84 2aff s ILE 88 Ca -0.05 0.37 0.02 0.00 0.00 0.00 0.00 60.65 61.00 2aff s ILE 88 Cb -0.14 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.80 2aff s ILE 88 CO 0.03 0.44 -0.15 -0.89 0.00 0.00 0.00 174.94 174.37 2aff s THR 89 N 0.19 1.42 -0.19 2.92 2.01 0.64 -0.76 115.64 121.87 2aff s THR 89 Ca 0.13 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 2aff s THR 89 Cb -0.12 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.09 2aff s THR 89 CO 0.02 0.42 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.70 2aff s ILE 90 N 0.77 3.69 0.00 1.82 1.01 0.75 -0.25 121.20 128.99 2aff s ILE 90 Ca -0.12 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2aff s ILE 90 Cb -0.16 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.67 2aff s ILE 90 CO 0.02 0.45 0.00 -0.38 0.00 0.00 0.00 174.94 175.03 2aff n ILE 91 N 4.13 0.00 -1.45 2.92 5.41 -1.26 0.27 119.36 129.38 2aff n ILE 91 Ca -0.18 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.63 2aff n ILE 91 Cb 0.52 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.53 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 1.30 1.40 -4.17 4.38 2.03 -1.26 -5.04 116.55 115.20 2aff n ASP 92 Ca 0.00 -2.65 -0.25 0.00 0.52 0.00 0.00 54.79 52.41 2aff n ASP 92 Cb 0.00 -0.34 -0.15 0.00 -0.72 0.00 0.00 41.12 39.91 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2aff s ARG 93 N -1.72 1.39 0.04 -0.67 0.52 0.77 -4.87 118.95 114.42 2aff s ARG 93 Ca 0.19 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 2aff s ARG 93 Cb 0.17 -1.36 -0.03 0.00 0.52 0.00 0.00 34.95 34.25 2aff s ARG 93 CO 0.02 0.37 -0.04 -1.12 0.02 0.00 0.00 175.30 174.55 2aff s SER 94 N -0.47 0.49 -0.15 0.23 0.01 -1.26 0.27 113.70 112.83 2aff s SER 94 Ca 0.07 -0.68 0.01 0.00 1.31 0.00 0.00 55.95 56.66 2aff s SER 94 Cb -0.07 0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.29 2aff s SER 94 CO -0.00 -0.37 -0.18 -0.36 0.41 0.00 0.00 173.24 172.73 2aff s PHE 95 N -2.23 2.47 -0.01 2.43 0.40 0.06 -2.25 117.98 118.85 2aff s PHE 95 Ca -0.07 -1.34 -0.28 0.00 -0.60 0.00 0.00 56.93 54.64 2aff s PHE 95 Cb -0.04 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 41.73 2aff s PHE 95 CO -0.03 -0.66 0.91 1.03 0.70 0.00 0.00 175.22 177.17 2aff s ARG 96 N 1.14 4.53 -0.21 0.44 0.52 -0.85 -2.33 118.95 122.19 2aff s ARG 96 Ca -0.01 1.29 -0.16 0.00 -0.52 0.00 0.00 55.73 56.34 2aff s ARG 96 Cb -0.14 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 2aff s ARG 96 CO -0.07 -0.02 0.41 -0.47 0.02 0.00 0.00 175.30 175.17 2aff s TYR 97 N 0.94 3.35 -0.13 -0.53 5.04 -0.97 -2.02 117.35 123.03 2aff s TYR 97 Ca 0.48 0.60 0.01 0.00 -2.44 0.00 0.00 57.07 55.73 2aff s TYR 97 Cb -0.20 -2.55 0.02 0.00 0.35 0.00 0.00 41.96 39.57 2aff s TYR 97 CO 0.26 -0.06 -0.15 -2.00 -1.34 0.00 0.00 175.55 172.25 2aff s GLU 98 N 1.48 2.32 -0.31 4.97 2.12 -0.54 -2.17 118.70 126.58 2aff s GLU 98 Ca 0.19 -0.59 -0.07 0.00 0.36 0.00 0.00 54.97 54.86 2aff s GLU 98 Cb -0.15 -2.01 0.01 0.00 0.26 0.00 0.00 34.13 32.24 2aff s GLU 98 CO 0.08 -0.12 0.10 1.21 -0.54 0.00 0.00 175.26 175.99 2aff s ASN 99 N 1.15 5.24 0.00 -1.70 3.84 -1.26 -1.32 114.94 120.89 2aff s ASN 99 Ca -0.02 -0.75 0.28 0.00 0.21 0.00 0.00 52.86 52.57 2aff s ASN 99 Cb -0.14 -1.90 0.96 0.00 -0.55 0.00 0.00 41.25 39.61 2aff s ASN 99 CO -0.05 -0.22 1.69 -0.62 -2.79 0.00 0.00 177.10 175.11