#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 0.78 -3.35 0.52 1.35 -1.96 -3.47 112.91 106.79 2aff h THR 4 Ca 0.00 -2.26 -0.57 0.00 -0.55 0.00 0.00 66.41 63.03 2aff h THR 4 Cb 0.00 2.36 -0.06 0.00 -1.73 0.00 0.00 68.15 68.72 2aff h THR 4 CO 0.00 0.59 0.02 -0.13 -0.25 0.00 0.00 175.52 175.75 2aff s ARG 5 N -2.46 4.40 -0.04 4.72 0.52 -1.26 -1.26 118.95 123.57 2aff s ARG 5 Ca -0.26 0.74 0.05 0.00 -0.52 0.00 0.00 55.73 55.74 2aff s ARG 5 Cb 0.06 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 32.08 2aff s ARG 5 CO 0.68 0.08 -0.17 1.03 0.02 0.00 0.00 175.30 176.94 2aff s ARG 6 N 0.78 1.71 -0.10 3.54 0.52 -0.15 -2.08 118.95 123.17 2aff s ARG 6 Ca 0.34 -0.61 0.02 0.00 -0.52 0.00 0.00 55.73 54.96 2aff s ARG 6 Cb -0.17 -1.52 -0.01 0.00 0.52 0.00 0.00 34.95 33.77 2aff s ARG 6 CO 0.15 0.27 -0.17 -1.17 0.02 0.00 0.00 175.30 174.41 2aff s LEU 7 N -0.05 2.53 -0.13 2.53 2.96 -0.48 -1.27 118.68 124.78 2aff s LEU 7 Ca -0.02 -0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2aff s LEU 7 Cb -0.11 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 2aff s LEU 7 CO 0.02 0.21 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.51 2aff s VAL 8 N 0.08 3.71 -0.37 1.68 1.01 -0.80 0.13 120.40 125.84 2aff s VAL 8 Ca -0.07 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 2aff s VAL 8 Cb -0.15 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.65 2aff s VAL 8 CO 0.05 0.52 0.73 -0.89 0.00 0.00 0.00 175.10 175.51 2aff s THR 9 N 0.07 4.79 0.22 3.92 2.01 -0.97 -1.86 115.64 123.82 2aff s THR 9 Ca -0.01 0.74 -0.21 0.00 0.31 0.00 0.00 61.69 62.52 2aff s THR 9 Cb -0.14 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.12 2aff s THR 9 CO 0.03 -0.41 0.75 -0.63 -0.69 0.00 0.00 174.62 173.67 2aff s ILE 10 N 2.97 4.52 0.32 1.82 1.01 -0.37 -2.16 121.20 129.31 2aff s ILE 10 Ca 0.29 1.37 0.02 0.00 0.00 0.00 0.00 60.65 62.32 2aff s ILE 10 Cb -0.14 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 2aff s ILE 10 CO 0.16 0.24 0.50 -0.54 0.00 0.00 0.00 174.94 175.30 2aff s LYS 11 N -1.89 3.44 0.64 2.79 1.02 -0.77 -4.29 119.74 120.68 2aff s LYS 11 Ca 0.43 -0.48 0.42 0.00 0.02 0.00 0.00 55.97 56.35 2aff s LYS 11 Cb -0.17 -2.73 2.18 0.00 -0.52 0.00 0.00 37.83 36.59 2aff s LYS 11 CO 0.22 0.21 2.28 0.00 -0.92 0.00 0.00 175.35 177.14 2aff h ARG 12 N 0.86 0.00 0.00 1.68 3.08 -1.89 0.13 114.38 118.24 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 -3.47 113.55 119.83 2aff h SER 13 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2aff h SER 13 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 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 1.07 0.92 3.40 -0.77 0.00 0.46 -5.09 105.19 105.19 2aff n GLY 14 Ca 0.05 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 2aff n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aff s VAL 15 N -2.00 2.88 0.36 1.61 -7.23 -1.26 -4.86 120.40 109.90 2aff s VAL 15 Ca 0.00 -0.76 -0.27 0.00 -1.81 0.00 0.00 61.98 59.14 2aff s VAL 15 Cb 0.00 -2.15 -0.09 0.00 0.56 0.00 0.00 36.38 34.70 2aff s VAL 15 CO 0.00 0.56 1.13 -1.81 -0.31 0.00 0.00 175.10 174.67 2aff s ASP 16 N -0.25 6.83 0.00 4.85 1.01 -1.26 -1.85 116.67 126.01 2aff s ASP 16 Ca 0.01 2.28 0.00 0.00 0.71 0.00 0.00 52.55 55.55 2aff s ASP 16 Cb -0.13 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.19 2aff s ASP 16 CO 0.03 -0.45 0.00 0.61 0.21 0.00 0.00 175.17 175.57 2aff n GLY 17 N 0.76 2.51 3.78 0.21 0.00 -0.92 -4.94 105.19 106.59 2aff n GLY 17 Ca 0.02 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 2.77 3.92 -0.09 1.61 0.04 -1.26 -4.80 135.00 137.19 2aff s PRO 18 Ca 0.00 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 2aff s PRO 18 Cb 0.00 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 2aff s PRO 18 CO 0.00 -0.38 -0.02 -3.38 0.04 0.00 0.00 177.00 173.26 2aff s HIS 19 N -1.65 3.09 -0.39 0.56 -3.43 -1.26 -2.30 115.29 109.91 2aff s HIS 19 Ca 0.62 0.10 -0.06 0.00 -0.80 0.00 0.00 55.06 54.92 2aff s HIS 19 Cb -0.24 -1.79 0.08 0.00 -1.43 0.00 0.00 32.58 29.20 2aff s HIS 19 CO 0.30 0.38 0.19 0.12 -2.00 0.00 0.00 174.74 173.73 2aff s PHE 20 N -0.74 3.39 0.07 0.38 5.36 0.35 -4.95 117.98 121.84 2aff s PHE 20 Ca 0.11 -1.82 -0.31 0.00 -0.96 0.00 0.00 56.93 53.95 2aff s PHE 20 Cb -0.11 -2.83 -0.06 0.00 -0.34 0.00 0.00 43.02 39.68 2aff s PHE 20 CO 0.02 -0.86 1.21 -1.25 -1.46 0.00 0.00 175.22 172.88 2aff s PRO 21 N 1.31 4.43 -1.51 10.12 0.04 -1.26 -1.38 135.00 146.75 2aff s PRO 21 Ca 0.03 1.79 -0.08 0.00 0.04 0.00 0.00 61.00 62.77 2aff s PRO 21 Cb -0.22 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 30.97 2aff s PRO 21 CO -0.00 -0.26 2.74 1.28 0.04 0.00 0.00 177.00 180.80 2aff n LEU 22 N 3.87 8.48 -0.28 -3.56 4.77 -0.88 -4.55 117.00 124.84 2aff n LEU 22 Ca 0.09 -4.56 -0.06 0.00 -0.03 0.00 0.00 56.01 51.46 2aff n LEU 22 Cb 0.46 -1.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.12 2aff n LEU 22 CO 0.56 2.05 1.06 -1.28 -1.33 0.00 0.00 177.39 178.45 2aff h SER 23 N 4.88 1.04 -3.94 -1.43 0.87 -1.91 -3.42 113.55 109.64 2aff h SER 23 Ca 0.81 -0.16 -0.50 0.00 -1.23 0.00 0.00 61.79 60.71 2aff h SER 23 Cb 0.30 -0.27 0.04 0.00 -0.44 0.00 0.00 62.40 62.03 2aff h SER 23 CO 1.68 0.91 0.49 -0.76 -0.53 0.00 0.00 176.83 178.61 2aff s LEU 24 N -9.77 4.21 0.23 2.23 1.43 -1.26 -4.92 118.68 110.83 2aff s LEU 24 Ca -0.13 2.29 0.22 0.00 -1.03 0.00 0.00 54.13 55.48 2aff s LEU 24 Cb 0.15 -4.02 0.94 0.00 0.03 0.00 0.00 46.19 43.29 2aff s LEU 24 CO 0.83 -0.60 1.67 -1.54 0.23 0.00 0.00 176.35 176.94 2aff n SER 25 N 0.13 0.58 -4.02 2.29 3.41 -1.26 -4.65 113.62 110.10 2aff n SER 25 Ca 0.04 0.65 -0.22 0.00 -0.26 0.00 0.00 58.87 59.07 2aff n SER 25 Cb 0.47 -0.77 -0.16 0.00 -0.26 0.00 0.00 64.21 63.49 2aff n SER 25 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2aff s THR 26 N -3.29 0.96 -0.18 6.66 2.01 -1.26 -1.00 115.64 119.55 2aff s THR 26 Ca 0.04 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.62 2aff s THR 26 Cb 0.09 -0.87 0.04 0.00 0.01 0.00 0.00 72.50 71.77 2aff s THR 26 CO 0.36 0.30 -0.11 0.00 -0.69 0.00 0.00 174.62 174.49 2aff s LEU 28 N 1.45 2.77 -0.10 0.00 2.96 -1.26 0.02 118.68 124.52 2aff s LEU 28 Ca 0.00 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 2aff s LEU 28 Cb -0.15 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 2aff s LEU 28 CO -0.09 0.17 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.69 2aff s PHE 29 N 0.32 2.96 -4.79 5.38 0.40 0.23 0.11 117.98 122.60 2aff s PHE 29 Ca -0.10 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.12 2aff s PHE 29 Cb -0.16 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.58 2aff s PHE 29 CO 0.05 0.19 0.00 0.41 0.70 0.00 0.00 175.22 176.57 2aff n GLY 30 N 2.69 -2.02 0.07 4.36 0.00 -0.66 -2.18 105.19 107.44 2aff n GLY 30 Ca -0.18 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 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 0.03 -6.73 1.61 3.08 -0.83 -3.19 114.38 108.34 2aff h ARG 31 Ca 0.00 -0.04 -0.57 0.00 0.07 0.00 0.00 59.98 59.43 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 1.02 0.00 0.41 -1.07 0.00 0.00 179.97 180.33 2aff n GLY 32 N 1.36 -0.60 0.21 0.04 0.00 -1.00 -4.89 105.19 100.31 2aff n GLY 32 Ca -0.01 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 0.52 1.28 0.00 -0.61 6.09 -1.90 -2.34 117.51 120.54 2aff h ILE 33 Ca -0.47 -1.19 0.00 0.00 -1.37 0.00 0.00 64.86 61.83 2aff h ILE 33 Cb 1.37 1.31 0.00 0.00 0.47 0.00 0.00 36.82 39.97 2aff h ILE 33 CO 0.50 0.39 0.19 -0.08 -3.07 0.00 0.00 178.15 176.08 2aff h GLU 34 N 0.49 0.00 -6.51 2.19 4.81 -1.96 -3.41 114.58 110.18 2aff h GLU 34 Ca 0.09 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.79 2aff h GLU 34 Cb 0.62 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.03 2aff h GLU 34 CO 0.04 0.00 1.01 0.00 -0.73 0.00 0.00 179.01 179.33 2aff h ASP 36 N 8.00 0.30 -3.44 0.00 3.32 -0.57 -3.38 116.42 120.64 2aff h ASP 36 Ca -0.44 -0.02 -0.63 0.00 0.02 0.00 0.00 57.03 55.96 2aff h ASP 36 Cb 1.21 -0.08 -0.37 0.00 0.22 0.00 0.00 39.33 40.31 2aff h ASP 36 CO 0.93 0.29 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.30 2aff s ILE 37 N -5.15 1.74 -0.14 0.35 -1.09 0.42 -4.94 121.20 112.39 2aff s ILE 37 Ca -0.07 -1.08 -0.08 0.00 -2.23 0.00 0.00 60.65 57.19 2aff s ILE 37 Cb 0.17 -1.80 -0.04 0.00 -1.58 0.00 0.00 42.46 39.20 2aff s ILE 37 CO 0.72 0.18 0.15 -0.13 -1.23 0.00 0.00 174.94 174.63 2aff s ARG 38 N 1.35 3.67 -0.09 2.79 0.52 -1.26 -1.66 118.95 124.28 2aff s ARG 38 Ca -0.02 -0.13 0.04 0.00 -0.52 0.00 0.00 55.73 55.11 2aff s ARG 38 Cb -0.16 -3.26 -0.00 0.00 0.52 0.00 0.00 34.95 32.05 2aff s ARG 38 CO -0.08 0.64 -0.24 0.42 0.02 0.00 0.00 175.30 176.05 2aff s ILE 39 N -0.63 2.05 -0.17 1.52 1.01 -1.21 -4.98 121.20 118.80 2aff s ILE 39 Ca 0.13 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2aff s ILE 39 Cb -0.12 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.59 2aff s ILE 39 CO 0.03 0.56 0.61 0.00 0.00 0.00 0.00 174.94 176.13 2aff n GLN 40 N 3.38 0.66 -4.71 2.79 6.02 -1.26 -4.74 117.38 119.52 2aff n GLN 40 Ca -0.19 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.47 2aff n GLN 40 Cb 0.53 -1.20 -0.14 0.00 1.02 0.00 0.00 30.24 30.45 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 2.83 0.00 1.08 1.43 -1.26 -4.99 118.68 117.77 2aff s LEU 41 Ca 0.00 -0.27 0.19 0.00 -1.03 0.00 0.00 54.13 53.01 2aff s LEU 41 Cb 0.00 -1.64 0.81 0.00 0.03 0.00 0.00 46.19 45.39 2aff s LEU 41 CO 0.00 0.18 1.60 -0.81 0.23 0.00 0.00 176.35 177.55 2aff n PRO 42 N 3.41 0.02 -0.05 1.29 -0.04 -1.26 -2.16 135.00 136.20 2aff n PRO 42 Ca -0.18 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.57 2aff n PRO 42 Cb 0.53 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.89 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 -1.48 0.14 -3.48 0.52 0.24 -1.26 -4.82 118.33 108.19 2aff n VAL 43 Ca 0.05 -0.34 -0.37 0.00 -2.04 0.00 0.00 64.34 61.64 2aff n VAL 43 Cb 0.21 0.50 -0.06 0.00 -1.47 0.00 0.00 33.84 33.02 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 -1.86 5.23 0.97 3.34 1.01 -0.92 -4.97 120.40 123.20 2aff s VAL 44 Ca 0.35 0.71 -0.12 0.00 0.00 0.00 0.00 61.98 62.91 2aff s VAL 44 Cb 0.19 -3.69 0.17 0.00 0.00 0.00 0.00 36.38 33.05 2aff s VAL 44 CO 0.29 0.41 1.10 -0.44 0.00 0.00 0.00 175.10 176.47 2aff s SER 45 N 0.17 2.93 0.19 3.32 0.01 -1.26 -4.48 113.70 114.58 2aff s SER 45 Ca 0.21 1.15 -0.10 0.00 1.31 0.00 0.00 55.95 58.52 2aff s SER 45 Cb -0.14 -1.80 0.12 0.00 0.21 0.00 0.00 66.02 64.41 2aff s SER 45 CO 0.07 -2.94 1.78 0.11 0.41 0.00 0.00 173.24 172.68 2aff h LYS 46 N -1.76 1.01 0.00 12.44 1.57 -1.92 -0.21 116.57 127.71 2aff h LYS 46 Ca -0.53 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 2aff h LYS 46 Cb 1.33 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2aff h LYS 46 CO 0.58 0.80 -0.71 1.04 -0.57 0.00 0.00 179.45 180.60 2aff n GLN 47 N -4.43 2.77 0.00 3.15 6.02 -1.26 -2.39 117.38 121.25 2aff n GLN 47 Ca 0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2aff n GLN 47 Cb 0.13 -0.90 0.00 0.00 1.02 0.00 0.00 30.24 30.49 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 -1.38 0.00 -4.39 1.08 -0.00 -0.93 -3.82 115.22 105.78 2aff n HIS 48 Ca -0.00 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.98 2aff n HIS 48 Cb 0.08 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.80 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 -0.06 1.63 -0.08 0.00 2.20 -0.69 0.78 119.74 123.53 2aff s LYS 50 Ca 0.01 -0.49 0.04 0.00 -0.36 0.00 0.00 55.97 55.18 2aff s LYS 50 Cb -0.06 -1.40 -0.01 0.00 -1.51 0.00 0.00 37.83 34.86 2aff s LYS 50 CO -0.00 0.14 -0.21 0.42 -0.36 0.00 0.00 175.35 175.33 2aff s ILE 51 N 0.30 2.35 -0.14 5.43 1.01 0.10 0.27 121.20 130.52 2aff s ILE 51 Ca -0.08 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.65 2aff s ILE 51 Cb -0.13 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.46 2aff s ILE 51 CO 0.03 0.56 -0.20 -0.70 0.00 0.00 0.00 174.94 174.63 2aff s GLU 52 N -0.05 2.86 -0.28 2.79 2.12 -0.27 -1.61 118.70 124.26 2aff s GLU 52 Ca -0.06 -0.79 -0.08 0.00 0.36 0.00 0.00 54.97 54.40 2aff s GLU 52 Cb -0.15 -2.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.88 2aff s GLU 52 CO 0.05 -0.06 0.09 0.42 -0.54 0.00 0.00 175.26 175.22 2aff s ILE 53 N 0.95 4.25 -0.01 -3.70 1.01 -0.17 -1.17 121.20 122.36 2aff s ILE 53 Ca -0.05 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.22 2aff s ILE 53 Cb -0.15 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 2aff s ILE 53 CO -0.04 0.19 -0.06 -1.00 0.00 0.00 0.00 174.94 174.03 2aff s HIS 54 N 1.57 2.91 0.55 3.97 3.76 0.26 -4.92 115.29 123.39 2aff s HIS 54 Ca 0.05 -0.02 0.49 0.00 -0.15 0.00 0.00 55.06 55.43 2aff s HIS 54 Cb -0.16 -1.63 1.73 0.00 1.11 0.00 0.00 32.58 33.62 2aff s HIS 54 CO 0.04 0.37 1.58 1.49 -0.85 0.00 0.00 174.74 177.37 2aff h GLU 55 N 4.68 0.00 0.19 1.40 4.81 -2.02 0.29 114.58 123.93 2aff h GLU 55 Ca -0.48 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2aff h GLU 55 Cb 1.17 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2aff h GLU 55 CO 0.54 0.00 -0.09 0.37 -0.73 0.00 0.00 179.01 179.09 2aff h GLN 56 N 0.00 -0.25 0.00 1.92 4.15 -2.01 -3.49 115.11 115.43 2aff h GLN 56 Ca 0.93 0.02 0.00 0.00 0.77 0.00 0.00 58.65 60.37 2aff h GLN 56 Cb 3.70 0.06 0.00 0.00 0.21 0.00 0.00 27.48 31.44 2aff h GLN 56 CO -0.03 -0.17 0.00 -0.85 -1.93 0.00 0.00 178.83 175.85 2aff n GLU 57 N -2.83 0.00 -4.27 1.69 0.28 0.10 -5.15 120.64 110.46 2aff n GLU 57 Ca -0.03 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.63 2aff n GLU 57 Cb 0.10 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 32.84 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 2.88 -0.13 -1.84 0.00 -1.26 -0.57 121.76 119.69 2aff s ALA 58 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2aff s ALA 58 Cb 0.00 -1.58 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 2aff s ALA 58 CO 0.00 -0.04 -0.15 0.42 0.00 0.00 0.00 175.76 175.99 2aff s ILE 59 N 0.82 2.81 -0.17 0.00 1.01 -0.31 0.13 121.20 125.49 2aff s ILE 59 Ca -0.01 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 2aff s ILE 59 Cb -0.15 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 2aff s ILE 59 CO 0.02 0.52 0.17 -0.22 0.00 0.00 0.00 174.94 175.43 2aff s LEU 60 N 0.50 4.26 -0.08 2.97 2.96 -0.13 -1.12 118.68 128.04 2aff s LEU 60 Ca -0.10 0.35 0.03 0.00 -0.22 0.00 0.00 54.13 54.19 2aff s LEU 60 Cb -0.16 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2aff s LEU 60 CO 0.04 0.21 -0.16 -1.00 -1.32 0.00 0.00 176.35 174.12 2aff s HIS 61 N 0.09 2.68 -0.44 5.38 3.76 0.14 -1.87 115.29 125.03 2aff s HIS 61 Ca 0.11 -0.43 -0.17 0.00 -0.15 0.00 0.00 55.06 54.42 2aff s HIS 61 Cb -0.12 -1.69 0.03 0.00 1.11 0.00 0.00 32.58 31.92 2aff s HIS 61 CO 0.01 -0.03 0.45 1.21 -0.85 0.00 0.00 174.74 175.53 2aff s ASN 62 N -0.27 6.18 0.00 1.40 3.04 -1.26 -1.71 114.94 122.33 2aff s ASN 62 Ca 0.01 -0.83 0.20 0.00 0.04 0.00 0.00 52.86 52.28 2aff s ASN 62 Cb -0.13 -2.22 -0.16 0.00 -1.54 0.00 0.00 41.25 37.20 2aff s ASN 62 CO 0.03 -0.63 0.91 0.49 -3.04 0.00 0.00 177.10 174.86 2aff n PHE 63 N 5.58 0.00 -2.28 0.43 3.01 -0.26 -4.85 117.46 119.09 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 -2.77 5.70 0.08 4.37 0.15 0.02 -4.64 113.70 116.62 2aff s SER 64 Ca 0.10 -0.15 -0.14 0.00 0.70 0.00 0.00 55.95 56.46 2aff s SER 64 Cb 0.16 -2.55 -0.19 0.00 -1.71 0.00 0.00 66.02 61.73 2aff s SER 64 CO 0.75 -2.13 1.25 0.28 1.20 0.00 0.00 173.24 174.59 2aff h SER 65 N 12.39 0.91 -0.48 5.45 0.02 -1.90 -2.84 113.55 127.10 2aff h SER 65 Ca -0.22 -0.68 -0.05 0.00 -0.84 0.00 0.00 61.79 60.01 2aff h SER 65 Cb 1.10 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 2aff h SER 65 CO 1.26 1.45 0.12 0.74 -1.14 0.00 0.00 176.83 179.25 2aff h THR 66 N 0.44 1.24 -2.36 -2.27 2.02 -2.00 -3.40 112.91 106.57 2aff h THR 66 Ca -0.08 -0.83 -0.42 0.00 0.77 0.00 0.00 66.41 65.85 2aff h THR 66 Cb 1.51 0.86 -0.36 0.00 -1.74 0.00 0.00 68.15 68.42 2aff h THR 66 CO 0.17 0.30 -0.71 0.20 0.37 0.00 0.00 175.52 175.85 2aff s ASN 67 N -6.11 2.30 0.61 4.18 0.01 -1.24 -5.14 114.94 109.56 2aff s ASN 67 Ca -0.13 -1.21 -0.19 0.00 -0.71 0.00 0.00 52.86 50.63 2aff s ASN 67 Cb 0.11 0.16 -0.03 0.00 0.41 0.00 0.00 41.25 41.89 2aff s ASN 67 CO 0.79 -0.38 1.12 -2.65 -1.51 0.00 0.00 177.10 174.47 2aff n PRO 68 N 4.98 1.05 -2.01 -0.60 -0.02 -1.07 -4.66 135.00 132.67 2aff n PRO 68 Ca 0.00 0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 61.57 2aff n PRO 68 Cb 0.44 -2.34 0.01 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.44 4.13 -0.05 3.45 2.01 -1.26 -4.86 115.64 117.61 2aff s THR 69 Ca 0.78 0.91 0.04 0.00 0.31 0.00 0.00 61.69 63.72 2aff s THR 69 Cb -0.40 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 2aff s THR 69 CO 0.45 -0.69 -0.16 -1.10 -0.69 0.00 0.00 174.62 172.43 2aff s GLN 70 N -4.40 2.51 -0.03 4.92 -0.21 -0.31 -1.77 119.66 120.37 2aff s GLN 70 Ca 0.60 -0.72 0.04 0.00 0.02 0.00 0.00 55.36 55.30 2aff s GLN 70 Cb -0.14 -2.35 -0.00 0.00 1.00 0.00 0.00 33.01 31.52 2aff s GLN 70 CO 0.41 0.59 -0.14 0.08 -2.12 0.00 0.00 175.29 174.11 2aff s VAL 71 N -0.65 1.18 -1.31 1.09 1.01 0.24 0.25 120.40 122.21 2aff s VAL 71 Ca 0.10 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 2aff s VAL 71 Cb -0.11 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.28 2aff s VAL 71 CO 0.01 0.35 0.33 0.59 0.00 0.00 0.00 175.10 176.38 2aff n ASN 72 N 3.12 -4.48 -1.20 3.32 3.02 -0.18 0.31 115.26 119.17 2aff n ASN 72 Ca -0.18 -0.16 -0.12 0.00 -0.03 0.00 0.00 54.58 54.10 2aff n ASN 72 Cb 0.54 -3.71 -0.02 0.00 -0.61 0.00 0.00 39.78 35.98 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 -1.13 0.25 2.90 7.41 0.00 -1.26 -5.02 105.19 108.34 2aff n GLY 73 Ca -0.09 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.58 -0.04 0.46 1.61 0.01 0.15 -5.10 113.70 108.20 2aff s SER 74 Ca 0.00 0.13 -0.24 0.00 1.31 0.00 0.00 55.95 57.14 2aff s SER 74 Cb 0.00 0.09 -0.07 0.00 0.21 0.00 0.00 66.02 66.24 2aff s SER 74 CO 0.00 -0.06 1.34 0.54 0.41 0.00 0.00 173.24 175.46 2aff s VAL 75 N 0.43 2.38 -0.52 3.43 0.11 -1.26 0.82 120.40 125.79 2aff s VAL 75 Ca -0.03 0.32 0.03 0.00 -2.93 0.00 0.00 61.98 59.37 2aff s VAL 75 Cb -0.05 -3.18 0.13 0.00 -1.53 0.00 0.00 36.38 31.76 2aff s VAL 75 CO -0.02 0.03 0.27 0.27 -3.33 0.00 0.00 175.10 172.33 2aff s ILE 76 N -1.29 2.74 0.34 7.04 -4.36 -0.73 -4.84 121.20 120.10 2aff s ILE 76 Ca 0.62 -3.18 0.20 0.00 -0.26 0.00 0.00 60.65 58.03 2aff s ILE 76 Cb -0.39 -2.89 0.19 0.00 1.25 0.00 0.00 42.46 40.62 2aff s ILE 76 CO 0.49 -0.80 1.91 0.44 0.24 0.00 0.00 174.94 177.22 2aff h ASP 77 N 6.68 0.00 -2.20 4.36 3.32 -1.94 -3.43 116.42 123.20 2aff h ASP 77 Ca -0.07 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.41 2aff h ASP 77 Cb 0.91 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.33 2aff h ASP 77 CO 0.68 0.26 -0.61 -1.61 -1.72 0.00 0.00 179.24 176.24 2aff s GLU 78 N -4.07 1.84 0.49 3.56 8.01 -1.26 -4.93 118.70 122.34 2aff s GLU 78 Ca -0.02 -2.02 -0.24 0.00 0.01 0.00 0.00 54.97 52.70 2aff s GLU 78 Cb 0.13 -1.40 -0.07 0.00 -4.31 0.00 0.00 34.13 28.48 2aff s GLU 78 CO 0.66 -0.07 1.40 -2.30 0.01 0.00 0.00 175.26 174.96 2aff n PRO 79 N -0.86 2.02 -4.11 0.39 -0.02 -1.26 -4.76 135.00 126.40 2aff n PRO 79 Ca -0.04 0.73 -0.16 0.00 -2.02 0.00 0.00 63.50 62.01 2aff n PRO 79 Cb 0.66 -2.61 -0.15 0.00 -0.02 0.00 0.00 33.50 31.39 2aff n PRO 79 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2aff s VAL 80 N -1.23 0.35 0.16 -1.45 -7.23 -0.78 -5.00 120.40 105.22 2aff s VAL 80 Ca 0.66 -0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 60.36 2aff s VAL 80 Cb -0.44 -0.32 -0.07 0.00 0.56 0.00 0.00 36.38 36.11 2aff s VAL 80 CO 0.54 0.11 1.17 -0.13 -0.31 0.00 0.00 175.10 176.48 2aff s ARG 81 N 0.06 4.51 0.05 4.82 0.52 -1.26 -0.96 118.95 126.70 2aff s ARG 81 Ca -0.00 1.81 -0.23 0.00 -0.52 0.00 0.00 55.73 56.78 2aff s ARG 81 Cb -0.04 -3.27 -0.06 0.00 0.52 0.00 0.00 34.95 32.11 2aff s ARG 81 CO -0.00 -0.06 0.71 -0.51 0.02 0.00 0.00 175.30 175.45 2aff s LEU 82 N -0.07 4.47 0.07 2.53 1.43 0.36 -4.90 118.68 122.57 2aff s LEU 82 Ca 0.53 1.38 0.06 0.00 -1.03 0.00 0.00 54.13 55.07 2aff s LEU 82 Cb -0.31 -3.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 2aff s LEU 82 CO 0.35 0.08 -0.17 -0.54 0.23 0.00 0.00 176.35 176.30 2aff s LYS 83 N -0.32 1.03 -0.31 1.70 1.02 -1.26 -4.36 119.74 117.24 2aff s LYS 83 Ca 0.35 -0.98 -0.38 0.00 0.02 0.00 0.00 55.97 54.98 2aff s LYS 83 Cb -0.20 -1.14 -0.14 0.00 -0.52 0.00 0.00 37.83 35.83 2aff s LYS 83 CO 0.22 0.27 1.93 1.58 -0.92 0.00 0.00 175.35 178.42 2aff n HIS 84 N 1.43 1.87 0.00 3.18 -0.00 -1.26 0.32 115.22 120.77 2aff n HIS 84 Ca -0.19 0.43 0.00 0.00 -0.00 0.00 0.00 57.72 57.96 2aff n HIS 84 Cb 0.54 -2.49 0.00 0.00 -0.00 0.00 0.00 29.99 28.04 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 5.21 1.50 3.74 1.57 0.00 -0.84 -4.97 105.19 111.40 2aff n GLY 85 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.75 6.70 -0.10 1.61 2.15 0.15 -4.79 116.67 120.64 2aff s ASP 86 Ca 0.00 2.58 0.01 0.00 0.43 0.00 0.00 52.55 55.58 2aff s ASP 86 Cb 0.00 -2.61 -0.02 0.00 -0.30 0.00 0.00 42.92 39.99 2aff s ASP 86 CO 0.00 -0.69 -0.14 -0.69 -0.17 0.00 0.00 175.17 173.49 2aff s VAL 87 N 0.29 3.04 -0.19 1.11 1.01 -1.26 -2.14 120.40 122.27 2aff s VAL 87 Ca 0.61 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 2aff s VAL 87 Cb -0.41 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 2aff s VAL 87 CO 0.39 0.55 0.13 -0.63 0.00 0.00 0.00 175.10 175.54 2aff s ILE 88 N -0.01 5.42 -0.11 2.22 1.01 -0.82 -1.01 121.20 127.91 2aff s ILE 88 Ca -0.04 0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.83 2aff s ILE 88 Cb -0.14 -3.46 0.01 0.00 0.01 0.00 0.00 42.46 38.88 2aff s ILE 88 CO 0.04 0.47 -0.17 -0.89 0.00 0.00 0.00 174.94 174.39 2aff s THR 89 N 0.11 1.64 -0.19 2.92 2.01 0.68 -0.35 115.64 122.46 2aff s THR 89 Ca 0.09 -0.73 -0.03 0.00 0.31 0.00 0.00 61.69 61.33 2aff s THR 89 Cb -0.11 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 2aff s THR 89 CO -0.01 0.47 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.69 2aff s ILE 90 N 0.89 3.29 0.00 1.82 1.01 0.66 -1.16 121.20 127.70 2aff s ILE 90 Ca -0.08 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.03 2aff s ILE 90 Cb -0.15 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.86 2aff s ILE 90 CO -0.01 0.46 0.00 -0.38 0.00 0.00 0.00 174.94 175.02 2aff n ILE 91 N 4.32 0.00 -0.76 2.92 5.41 -1.26 0.27 119.36 130.26 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 0.51 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 1.70 2.03 -4.12 4.38 2.03 -1.26 -5.01 116.55 116.30 2aff n ASP 92 Ca 0.00 -2.60 -0.23 0.00 0.52 0.00 0.00 54.79 52.48 2aff n ASP 92 Cb 0.00 -0.26 -0.15 0.00 -0.72 0.00 0.00 41.12 39.99 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 -2.01 1.27 0.07 -0.67 0.52 0.75 -4.43 118.95 114.46 2aff s ARG 93 Ca 0.19 -0.53 0.03 0.00 -0.52 0.00 0.00 55.73 54.90 2aff s ARG 93 Cb 0.16 -1.20 -0.03 0.00 0.52 0.00 0.00 34.95 34.40 2aff s ARG 93 CO 0.02 0.30 -0.10 -1.12 0.02 0.00 0.00 175.30 174.41 2aff s SER 94 N -0.26 1.27 -0.14 0.23 0.01 -1.26 0.24 113.70 113.79 2aff s SER 94 Ca 0.04 -0.67 0.01 0.00 1.31 0.00 0.00 55.95 56.64 2aff s SER 94 Cb -0.07 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.19 2aff s SER 94 CO -0.00 -0.20 -0.16 -0.36 0.41 0.00 0.00 173.24 172.93 2aff s PHE 95 N -1.79 2.22 -0.02 2.43 0.40 0.53 -1.24 117.98 120.51 2aff s PHE 95 Ca -0.02 -1.20 -0.25 0.00 -0.60 0.00 0.00 56.93 54.86 2aff s PHE 95 Cb -0.07 -1.61 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 2aff s PHE 95 CO 0.00 -0.63 0.75 1.03 0.70 0.00 0.00 175.22 177.08 2aff s ARG 96 N 1.29 4.47 -0.22 0.44 0.52 -0.78 -1.94 118.95 122.73 2aff s ARG 96 Ca 0.01 1.01 -0.15 0.00 -0.52 0.00 0.00 55.73 56.08 2aff s ARG 96 Cb -0.14 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 2aff s ARG 96 CO -0.08 0.14 0.35 -0.47 0.02 0.00 0.00 175.30 175.25 2aff s TYR 97 N 0.49 3.35 -0.13 -0.53 5.04 -0.91 -1.90 117.35 122.77 2aff s TYR 97 Ca 0.39 0.52 0.01 0.00 -2.44 0.00 0.00 57.07 55.55 2aff s TYR 97 Cb -0.19 -2.48 0.02 0.00 0.35 0.00 0.00 41.96 39.66 2aff s TYR 97 CO 0.21 -0.02 -0.14 -2.00 -1.34 0.00 0.00 175.55 172.27 2aff s GLU 98 N 1.33 2.14 -0.43 4.97 2.12 -0.39 -1.98 118.70 126.46 2aff s GLU 98 Ca 0.16 -0.51 -0.11 0.00 0.36 0.00 0.00 54.97 54.87 2aff s GLU 98 Cb -0.15 -1.93 0.07 0.00 0.26 0.00 0.00 34.13 32.38 2aff s GLU 98 CO 0.07 -0.17 0.30 1.21 -0.54 0.00 0.00 175.26 176.13 2aff s ASN 99 N 1.31 5.81 0.00 -1.70 3.84 -1.26 -0.97 114.94 121.96 2aff s ASN 99 Ca 0.00 -1.39 0.10 0.00 0.21 0.00 0.00 52.86 51.78 2aff s ASN 99 Cb -0.14 -2.05 0.61 0.00 -0.55 0.00 0.00 41.25 39.12 2aff s ASN 99 CO -0.07 -0.55 1.05 1.21 -2.79 0.00 0.00 177.10 175.95