#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 1.31 -3.38 0.52 2.02 -1.94 -3.43 112.91 108.00 2aff h THR 4 Ca 0.00 -1.19 -0.58 0.00 0.77 0.00 0.00 66.41 65.41 2aff h THR 4 Cb 0.00 1.62 -0.08 0.00 -1.74 0.00 0.00 68.15 67.95 2aff h THR 4 CO 0.00 0.36 -0.04 -0.13 0.37 0.00 0.00 175.52 176.09 2aff s ARG 5 N -4.56 4.30 -0.03 6.66 0.52 -1.26 -4.04 118.95 120.53 2aff s ARG 5 Ca -0.14 0.53 0.04 0.00 -0.52 0.00 0.00 55.73 55.65 2aff s ARG 5 Cb 0.07 -3.49 -0.00 0.00 0.52 0.00 0.00 34.95 32.04 2aff s ARG 5 CO 0.77 0.01 -0.15 1.03 0.02 0.00 0.00 175.30 176.97 2aff s ARG 6 N 1.10 1.45 -0.08 3.54 0.52 -0.23 -1.98 118.95 123.27 2aff s ARG 6 Ca 0.28 -0.53 0.02 0.00 -0.52 0.00 0.00 55.73 54.98 2aff s ARG 6 Cb -0.16 -1.32 -0.02 0.00 0.52 0.00 0.00 34.95 33.98 2aff s ARG 6 CO 0.11 0.25 -0.15 -1.17 0.02 0.00 0.00 175.30 174.36 2aff s LEU 7 N -0.05 2.65 -0.13 2.53 2.96 -0.71 -2.23 118.68 123.69 2aff s LEU 7 Ca -0.01 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 53.61 2aff s LEU 7 Cb -0.09 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 2aff s LEU 7 CO 0.01 0.26 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.48 2aff s VAL 8 N -0.21 3.09 -0.39 1.68 1.01 -1.00 0.22 120.40 124.81 2aff s VAL 8 Ca 0.00 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 61.15 2aff s VAL 8 Cb -0.13 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.95 2aff s VAL 8 CO 0.03 0.52 0.54 -0.89 0.00 0.00 0.00 175.10 175.30 2aff s THR 9 N 0.38 4.97 0.34 3.92 2.01 -0.89 -1.90 115.64 124.47 2aff s THR 9 Ca -0.10 0.16 -0.26 0.00 0.31 0.00 0.00 61.69 61.80 2aff s THR 9 Cb -0.16 -4.05 -0.10 0.00 0.01 0.00 0.00 72.50 68.20 2aff s THR 9 CO 0.05 -0.37 0.99 -0.63 -0.69 0.00 0.00 174.62 173.97 2aff s ILE 10 N 2.48 4.01 0.51 1.82 1.01 -0.97 -0.81 121.20 129.25 2aff s ILE 10 Ca 0.19 1.66 -0.01 0.00 0.00 0.00 0.00 60.65 62.49 2aff s ILE 10 Cb -0.15 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.41 2aff s ILE 10 CO 0.15 0.13 0.74 -0.54 0.00 0.00 0.00 174.94 175.42 2aff s LYS 11 N -2.12 2.89 0.55 2.79 1.02 0.37 -4.51 119.74 120.74 2aff s LYS 11 Ca 0.52 -0.47 0.24 0.00 0.02 0.00 0.00 55.97 56.28 2aff s LYS 11 Cb -0.21 -2.48 1.50 0.00 -0.52 0.00 0.00 37.83 36.12 2aff s LYS 11 CO 0.26 -0.48 2.10 0.00 -0.92 0.00 0.00 175.35 176.32 2aff h ARG 12 N 0.19 0.00 0.00 1.68 3.08 -1.88 0.20 114.38 117.65 2aff h ARG 12 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2aff h ARG 12 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2aff h ARG 12 CO 0.57 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.90 2aff n SER 13 N -4.17 0.08 0.00 7.04 7.64 -1.26 -4.90 113.62 118.06 2aff n SER 13 Ca 0.02 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2aff n SER 13 Cb 0.30 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 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 1.36 1.13 3.37 0.23 0.00 0.71 -5.09 105.19 106.90 2aff n GLY 14 Ca 0.07 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 2.47 0.11 1.61 -7.23 -1.25 -4.84 120.40 109.27 2aff s VAL 15 Ca 0.00 -0.94 -0.31 0.00 -1.81 0.00 0.00 61.98 58.92 2aff s VAL 15 Cb 0.00 -1.92 -0.09 0.00 0.56 0.00 0.00 36.38 34.93 2aff s VAL 15 CO 0.00 0.58 1.61 -0.62 -0.31 0.00 0.00 175.10 176.36 2aff s ASP 16 N -0.54 6.60 0.00 4.85 -1.08 -1.26 -0.48 116.67 124.76 2aff s ASP 16 Ca 0.08 2.55 0.00 0.00 -0.52 0.00 0.00 52.55 54.65 2aff s ASP 16 Cb -0.11 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 2aff s ASP 16 CO 0.01 -0.86 0.00 0.61 0.52 0.00 0.00 175.17 175.45 2aff n GLY 17 N 3.88 1.63 3.80 2.66 0.00 0.01 -4.90 105.19 112.26 2aff n GLY 17 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 3.86 3.96 0.34 1.61 0.04 -1.26 -4.72 135.00 138.82 2aff s PRO 18 Ca 0.00 1.37 0.07 0.00 0.04 0.00 0.00 61.00 62.48 2aff s PRO 18 Cb 0.00 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2aff s PRO 18 CO 0.00 -0.30 0.40 -3.38 0.04 0.00 0.00 177.00 173.76 2aff s HIS 19 N -1.91 3.01 -0.25 0.56 -3.43 -1.26 -2.09 115.29 109.92 2aff s HIS 19 Ca 0.64 -0.26 -0.04 0.00 -0.80 0.00 0.00 55.06 54.59 2aff s HIS 19 Cb -0.17 -1.92 0.09 0.00 -1.43 0.00 0.00 32.58 29.14 2aff s HIS 19 CO 0.21 0.06 0.11 0.12 -2.00 0.00 0.00 174.74 173.25 2aff s PHE 20 N -2.24 0.34 0.01 0.38 5.36 0.13 -4.95 117.98 117.02 2aff s PHE 20 Ca 0.44 -0.71 -0.30 0.00 -0.96 0.00 0.00 56.93 55.39 2aff s PHE 20 Cb -0.08 -0.86 -0.05 0.00 -0.34 0.00 0.00 43.02 41.69 2aff s PHE 20 CO 0.29 -0.71 1.31 -1.25 -1.46 0.00 0.00 175.22 173.39 2aff s PRO 21 N 2.09 4.33 -0.32 10.12 0.04 -1.26 -1.74 135.00 148.26 2aff s PRO 21 Ca 0.06 1.86 -0.05 0.00 0.04 0.00 0.00 61.00 62.91 2aff s PRO 21 Cb -0.16 -3.49 -0.10 0.00 0.04 0.00 0.00 34.50 30.80 2aff s PRO 21 CO -0.26 -0.46 3.17 1.28 0.04 0.00 0.00 177.00 180.76 2aff n LEU 22 N 4.88 6.04 0.27 -3.56 4.77 -0.84 -4.52 117.00 124.04 2aff n LEU 22 Ca 0.12 -3.69 0.10 0.00 -0.03 0.00 0.00 56.01 52.50 2aff n LEU 22 Cb 0.45 -1.34 0.70 0.00 -2.33 0.00 0.00 43.42 40.90 2aff n LEU 22 CO 0.57 1.74 1.07 0.77 -1.33 0.00 0.00 177.39 180.21 2aff h SER 23 N 3.13 0.00 -3.89 -1.43 4.64 -1.91 -3.42 113.55 110.67 2aff h SER 23 Ca 0.33 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.15 2aff h SER 23 Cb 1.06 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2aff h SER 23 CO 0.63 0.02 0.44 -0.76 -0.87 0.00 0.00 176.83 176.29 2aff s LEU 24 N -8.63 4.33 0.46 5.97 1.43 -1.26 -4.92 118.68 116.07 2aff s LEU 24 Ca -0.05 2.16 0.32 0.00 -1.03 0.00 0.00 54.13 55.53 2aff s LEU 24 Cb 0.16 -3.92 1.57 0.00 0.03 0.00 0.00 46.19 44.03 2aff s LEU 24 CO 0.64 -0.34 1.96 0.77 0.23 0.00 0.00 176.35 179.60 2aff h SER 25 N 3.12 0.00 -3.66 2.29 4.64 -1.91 -3.42 113.55 114.61 2aff h SER 25 Ca -0.48 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.44 2aff h SER 25 Cb 1.21 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.99 2aff h SER 25 CO 0.64 0.00 -0.78 -0.89 -0.87 0.00 0.00 176.83 174.94 2aff s THR 26 N -3.71 0.64 -0.18 2.95 2.01 -1.26 -1.17 115.64 114.91 2aff s THR 26 Ca -0.01 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.75 2aff s THR 26 Cb 0.09 -0.60 0.03 0.00 0.01 0.00 0.00 72.50 72.04 2aff s THR 26 CO 0.37 0.22 -0.11 0.00 -0.69 0.00 0.00 174.62 174.41 2aff s LEU 28 N 1.45 2.72 -0.11 0.00 2.96 -1.26 -0.73 118.68 123.71 2aff s LEU 28 Ca 0.01 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.51 2aff s LEU 28 Cb -0.15 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2aff s LEU 28 CO -0.09 0.10 0.04 -0.36 -1.32 0.00 0.00 176.35 174.72 2aff s PHE 29 N 0.75 3.27 -1.11 5.38 0.40 0.16 -0.25 117.98 126.59 2aff s PHE 29 Ca -0.05 0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.51 2aff s PHE 29 Cb -0.15 -1.88 0.00 0.00 0.51 0.00 0.00 43.02 41.50 2aff s PHE 29 CO 0.01 0.46 0.00 0.41 0.70 0.00 0.00 175.22 176.81 2aff n GLY 30 N 2.38 -1.37 0.06 4.36 0.00 -0.79 -2.31 105.19 107.52 2aff n GLY 30 Ca -0.19 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 44.98 2aff n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2aff n ARG 31 N -0.09 0.38 -2.54 1.61 0.63 -0.42 -1.23 116.66 114.99 2aff n ARG 31 Ca 0.00 0.04 -0.32 0.00 -0.92 0.00 0.00 57.85 56.66 2aff n ARG 31 Cb 0.00 -1.67 -0.03 0.00 0.45 0.00 0.00 32.46 31.20 2aff n ARG 31 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2aff s GLY 32 N -3.85 2.05 0.15 5.14 0.00 -1.26 -4.64 107.32 104.91 2aff s GLY 32 Ca 0.03 0.09 -0.12 0.00 0.00 0.00 0.00 44.72 44.72 2aff s GLY 32 CO 0.78 0.34 1.60 1.19 0.00 0.00 0.00 173.10 177.00 2aff h ILE 33 N 1.00 1.27 0.00 0.90 6.09 -1.93 -2.35 117.51 122.48 2aff h ILE 33 Ca -0.47 -1.12 0.00 0.00 -1.37 0.00 0.00 64.86 61.90 2aff h ILE 33 Cb 1.18 0.99 0.00 0.00 0.47 0.00 0.00 36.82 39.46 2aff h ILE 33 CO 0.62 0.39 0.45 -0.08 -3.07 0.00 0.00 178.15 176.47 2aff h GLU 34 N 0.76 0.00 -6.83 2.19 4.81 -1.95 -3.40 114.58 110.16 2aff h GLU 34 Ca 0.14 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.87 2aff h GLU 34 Cb 0.55 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.95 2aff h GLU 34 CO 0.03 0.00 0.48 0.00 -0.73 0.00 0.00 179.01 178.79 2aff h ASP 36 N 3.62 0.32 -3.21 0.00 3.32 -0.84 -3.38 116.42 116.25 2aff h ASP 36 Ca -0.47 -0.01 -0.56 0.00 0.02 0.00 0.00 57.03 56.00 2aff h ASP 36 Cb 1.21 -0.08 -0.36 0.00 0.22 0.00 0.00 39.33 40.33 2aff h ASP 36 CO 0.66 0.26 -0.82 -0.63 -1.72 0.00 0.00 179.24 176.99 2aff s ILE 37 N -5.30 1.31 -0.14 0.35 1.01 -0.19 -4.95 121.20 113.29 2aff s ILE 37 Ca -0.07 -0.50 -0.04 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 0.72 0.41 0.01 -0.60 0.00 0.00 0.00 174.94 175.48 2aff s ARG 38 N 1.35 3.54 -0.11 2.79 3.52 -1.26 -1.89 118.95 126.88 2aff s ARG 38 Ca -0.00 -0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 2aff s ARG 38 Cb -0.14 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.26 2aff s ARG 38 CO -0.06 0.42 -0.14 0.42 -0.81 0.00 0.00 175.30 175.13 2aff s ILE 39 N -0.09 3.01 -0.46 4.11 1.01 -0.37 -4.99 121.20 123.42 2aff s ILE 39 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.00 2aff s ILE 39 Cb -0.13 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.10 2aff s ILE 39 CO 0.02 0.54 0.56 0.00 0.00 0.00 0.00 174.94 176.05 2aff n GLN 40 N 3.31 0.73 -3.72 2.79 6.02 -1.26 -4.49 117.38 120.75 2aff n GLN 40 Ca -0.18 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.46 2aff n GLN 40 Cb 0.53 -1.24 -0.09 0.00 1.02 0.00 0.00 30.24 30.46 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 4.15 0.00 1.08 1.43 -1.26 -4.96 118.68 119.11 2aff s LEU 41 Ca 0.00 0.18 0.19 0.00 -1.03 0.00 0.00 54.13 53.47 2aff s LEU 41 Cb 0.00 -2.09 0.85 0.00 0.03 0.00 0.00 46.19 44.98 2aff s LEU 41 CO 0.00 0.14 1.61 -0.81 0.23 0.00 0.00 176.35 177.52 2aff n PRO 42 N 3.79 0.05 -0.13 1.29 -0.04 -1.26 -2.30 135.00 136.41 2aff n PRO 42 Ca -0.16 0.16 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 2aff n PRO 42 Cb 0.52 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.46 0.33 -3.59 0.52 0.24 -1.26 -4.86 118.33 108.25 2aff n VAL 43 Ca 0.05 -0.47 -0.36 0.00 -2.04 0.00 0.00 64.34 61.52 2aff n VAL 43 Cb 0.21 0.49 -0.07 0.00 -1.47 0.00 0.00 33.84 33.00 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 -1.67 5.32 1.08 3.34 1.01 -0.97 -4.92 120.40 123.59 2aff s VAL 44 Ca 0.33 0.49 -0.15 0.00 0.00 0.00 0.00 61.98 62.65 2aff s VAL 44 Cb 0.18 -3.59 0.23 0.00 0.00 0.00 0.00 36.38 33.20 2aff s VAL 44 CO 0.26 0.43 1.10 -0.55 0.00 0.00 0.00 175.10 176.35 2aff s SER 45 N 0.19 1.96 0.18 3.32 0.15 -1.26 -4.23 113.70 114.01 2aff s SER 45 Ca 0.16 0.94 -0.11 0.00 0.70 0.00 0.00 55.95 57.63 2aff s SER 45 Cb -0.13 -1.43 0.10 0.00 -1.71 0.00 0.00 66.02 62.85 2aff s SER 45 CO 0.04 -3.51 1.76 0.11 1.20 0.00 0.00 173.24 172.83 2aff h LYS 46 N -2.16 0.95 0.00 5.44 1.57 -1.93 -1.12 116.57 119.32 2aff h LYS 46 Ca -0.51 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 2aff h LYS 46 Cb 1.32 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2aff h LYS 46 CO 0.49 0.78 -1.11 1.04 -0.57 0.00 0.00 179.45 180.08 2aff n GLN 47 N -4.45 1.04 0.00 3.15 6.02 -1.26 -4.04 117.38 117.84 2aff n GLN 47 Ca 0.05 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2aff n GLN 47 Cb 0.15 -1.08 0.00 0.00 1.02 0.00 0.00 30.24 30.32 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 -1.61 0.00 -4.51 1.08 -0.00 -1.15 -3.94 115.22 105.09 2aff n HIS 48 Ca -0.01 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.95 2aff n HIS 48 Cb 0.15 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.86 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 0.26 1.70 -0.07 0.00 2.20 -0.79 0.38 119.74 123.41 2aff s LYS 50 Ca -0.05 -0.54 0.05 0.00 -0.36 0.00 0.00 55.97 55.07 2aff s LYS 50 Cb -0.11 -1.46 -0.01 0.00 -1.51 0.00 0.00 37.83 34.75 2aff s LYS 50 CO 0.01 0.18 -0.24 0.42 -0.36 0.00 0.00 175.35 175.36 2aff s ILE 51 N 0.20 2.11 -0.18 5.43 1.01 0.10 0.63 121.20 130.50 2aff s ILE 51 Ca -0.07 -1.03 -0.04 0.00 0.00 0.00 0.00 60.65 59.51 2aff s ILE 51 Cb -0.12 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 2aff s ILE 51 CO 0.03 0.57 -0.02 -1.61 0.00 0.00 0.00 174.94 173.90 2aff s GLU 52 N 0.01 3.65 -0.33 2.79 2.02 -0.32 -2.08 118.70 124.44 2aff s GLU 52 Ca -0.09 -0.52 -0.12 0.00 0.02 0.00 0.00 54.97 54.27 2aff s GLU 52 Cb -0.15 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 31.07 2aff s GLU 52 CO 0.05 0.14 0.21 0.42 0.02 0.00 0.00 175.26 176.10 2aff s ILE 53 N 0.65 5.07 -0.07 -1.63 -1.09 -0.32 -1.76 121.20 122.06 2aff s ILE 53 Ca -0.01 -0.28 0.05 0.00 -2.23 0.00 0.00 60.65 58.18 2aff s ILE 53 Cb -0.14 -3.60 -0.01 0.00 -1.58 0.00 0.00 42.46 37.13 2aff s ILE 53 CO 0.02 0.01 -0.23 -1.00 -1.23 0.00 0.00 174.94 172.52 2aff s HIS 54 N 1.69 2.51 0.54 3.97 3.76 0.45 -4.92 115.29 123.30 2aff s HIS 54 Ca 0.06 -0.74 0.48 0.00 -0.15 0.00 0.00 55.06 54.70 2aff s HIS 54 Cb -0.17 -1.64 1.70 0.00 1.11 0.00 0.00 32.58 33.58 2aff s HIS 54 CO 0.09 -0.23 1.59 1.49 -0.85 0.00 0.00 174.74 176.83 2aff h GLU 55 N 6.20 0.00 0.10 1.40 4.81 -2.01 0.45 114.58 125.53 2aff h GLU 55 Ca -0.30 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2aff h GLU 55 Cb 1.19 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2aff h GLU 55 CO 0.48 0.00 -0.05 1.96 -0.73 0.00 0.00 179.01 180.68 2aff h GLN 56 N 0.00 -0.13 0.00 1.92 1.08 -2.01 -3.49 115.11 112.49 2aff h GLN 56 Ca 0.91 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 58.07 2aff h GLN 56 Cb 3.57 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 31.02 2aff h GLN 56 CO -0.06 -0.08 0.01 -0.85 -0.95 0.00 0.00 178.83 176.90 2aff n GLU 57 N -2.47 0.28 -4.77 1.46 0.28 0.16 -5.16 120.64 110.42 2aff n GLU 57 Ca -0.02 -0.78 -0.33 0.00 -0.16 0.00 0.00 57.16 55.88 2aff n GLU 57 Cb 0.05 0.84 -0.15 0.00 1.43 0.00 0.00 31.44 33.61 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 -1.66 2.46 -0.12 -1.84 0.00 -1.26 -0.41 121.76 118.93 2aff s ALA 58 Ca 0.07 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2aff s ALA 58 Cb -0.01 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 2aff s ALA 58 CO 0.05 0.14 -0.16 0.42 0.00 0.00 0.00 175.76 176.21 2aff s ILE 59 N 0.55 2.76 -0.18 0.00 1.01 -0.72 0.81 121.20 125.43 2aff s ILE 59 Ca -0.10 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 2aff s ILE 59 Cb -0.16 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 2aff s ILE 59 CO 0.04 0.54 0.24 -0.22 0.00 0.00 0.00 174.94 175.54 2aff s LEU 60 N 0.29 4.21 -0.08 2.97 2.96 0.97 -1.18 118.68 128.82 2aff s LEU 60 Ca -0.12 0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 2aff s LEU 60 Cb -0.16 -2.28 -0.02 0.00 0.50 0.00 0.00 46.19 44.22 2aff s LEU 60 CO 0.06 0.10 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.07 2aff s HIS 61 N 0.59 2.79 -0.51 5.38 3.76 0.21 -1.22 115.29 126.28 2aff s HIS 61 Ca 0.13 -0.25 -0.20 0.00 -0.15 0.00 0.00 55.06 54.60 2aff s HIS 61 Cb -0.13 -1.71 0.06 0.00 1.11 0.00 0.00 32.58 31.91 2aff s HIS 61 CO 0.03 0.11 0.65 1.21 -0.85 0.00 0.00 174.74 175.88 2aff s ASN 62 N -0.43 6.23 -0.00 1.40 3.84 -1.26 -1.89 114.94 122.84 2aff s ASN 62 Ca 0.05 -0.85 0.19 0.00 0.21 0.00 0.00 52.86 52.46 2aff s ASN 62 Cb -0.12 -2.30 -0.21 0.00 -0.55 0.00 0.00 41.25 38.06 2aff s ASN 62 CO 0.02 -0.91 0.79 0.49 -2.79 0.00 0.00 177.10 174.70 2aff n PHE 63 N 6.27 0.00 -2.21 0.43 3.01 -0.11 -4.88 117.46 119.98 2aff n PHE 63 Ca -0.06 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.00 2aff n PHE 63 Cb 0.46 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.87 2aff n PHE 63 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2aff s SER 64 N -2.89 5.71 0.35 4.37 1.04 -0.04 -4.53 113.70 117.70 2aff s SER 64 Ca 0.06 0.30 0.23 0.00 0.48 0.00 0.00 55.95 57.03 2aff s SER 64 Cb 0.14 -2.54 0.35 0.00 0.10 0.00 0.00 66.02 64.08 2aff s SER 64 CO 0.79 -2.04 1.52 0.77 0.98 0.00 0.00 173.24 175.26 2aff h SER 65 N 12.91 0.00 0.15 7.02 4.64 -1.90 -3.31 113.55 133.05 2aff h SER 65 Ca -0.27 -0.01 -0.33 0.00 -0.47 0.00 0.00 61.79 60.70 2aff h SER 65 Cb 1.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2aff h SER 65 CO 1.20 0.01 -1.71 0.74 -0.87 0.00 0.00 176.83 176.19 2aff h THR 66 N 0.00 0.88 -2.64 2.95 2.02 -1.98 -3.45 112.91 110.69 2aff h THR 66 Ca 0.00 -2.43 -0.39 0.00 0.77 0.00 0.00 66.41 64.36 2aff h THR 66 Cb 0.95 2.67 -0.37 0.00 -1.74 0.00 0.00 68.15 69.65 2aff h THR 66 CO 0.00 0.81 -0.68 0.20 0.37 0.00 0.00 175.52 176.22 2aff s ASN 67 N -7.15 2.01 0.44 4.18 0.01 -1.25 -5.14 114.94 108.05 2aff s ASN 67 Ca -0.19 -0.57 -0.25 0.00 -0.71 0.00 0.00 52.86 51.14 2aff s ASN 67 Cb 0.05 0.13 -0.09 0.00 0.41 0.00 0.00 41.25 41.75 2aff s ASN 67 CO 0.80 -0.36 1.23 -2.65 -1.51 0.00 0.00 177.10 174.61 2aff n PRO 68 N 5.30 1.79 -2.24 -0.60 -0.02 -1.25 -4.67 135.00 133.31 2aff n PRO 68 Ca -0.05 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 2aff n PRO 68 Cb 0.48 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 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 3.12 -0.10 3.45 2.01 -1.26 -4.81 115.64 116.82 2aff s THR 69 Ca 0.63 1.03 -0.10 0.00 0.31 0.00 0.00 61.69 63.56 2aff s THR 69 Cb -0.50 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 2aff s THR 69 CO 0.56 0.20 0.23 -1.10 -0.69 0.00 0.00 174.62 173.82 2aff s GLN 70 N -0.93 3.70 -0.03 4.92 -0.21 -0.41 -1.92 119.66 124.79 2aff s GLN 70 Ca 0.51 0.03 0.02 0.00 0.02 0.00 0.00 55.36 55.94 2aff s GLN 70 Cb -0.36 -3.24 0.01 0.00 1.00 0.00 0.00 33.01 30.42 2aff s GLN 70 CO 0.43 0.67 -0.06 0.08 -2.12 0.00 0.00 175.29 174.29 2aff s VAL 71 N -0.80 0.60 -1.17 1.09 1.01 0.54 0.19 120.40 121.87 2aff s VAL 71 Ca 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 2aff s VAL 71 Cb -0.13 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.68 2aff s VAL 71 CO 0.06 0.21 0.00 0.59 0.00 0.00 0.00 175.10 175.96 2aff n ASN 72 N 3.49 -4.22 -0.84 3.32 5.03 -0.79 0.13 115.26 121.38 2aff n ASN 72 Ca -0.20 0.16 -0.08 0.00 0.87 0.00 0.00 54.58 55.33 2aff n ASN 72 Cb 0.54 -3.57 -0.01 0.00 -1.02 0.00 0.00 39.78 35.72 2aff n ASN 72 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2aff n GLY 73 N -0.84 0.28 2.88 7.41 0.00 -1.26 -5.03 105.19 108.63 2aff n GLY 73 Ca -0.16 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.71 -0.01 0.32 1.61 0.15 0.35 -5.09 113.70 108.32 2aff s SER 74 Ca 0.00 0.04 -0.28 0.00 0.70 0.00 0.00 55.95 56.41 2aff s SER 74 Cb 0.00 0.03 -0.09 0.00 -1.71 0.00 0.00 66.02 64.24 2aff s SER 74 CO 0.00 -0.02 1.10 0.68 1.20 0.00 0.00 173.24 176.20 2aff s VAL 75 N 0.14 3.47 -0.54 4.45 -7.23 -1.26 0.20 120.40 119.62 2aff s VAL 75 Ca -0.01 1.37 -0.07 0.00 -1.81 0.00 0.00 61.98 61.46 2aff s VAL 75 Cb -0.02 -3.83 0.14 0.00 0.56 0.00 0.00 36.38 33.23 2aff s VAL 75 CO -0.00 0.25 0.40 0.27 -0.31 0.00 0.00 175.10 175.71 2aff s ILE 76 N -1.29 4.12 0.30 -0.62 -4.36 -0.81 -4.89 121.20 113.65 2aff s ILE 76 Ca 0.49 -2.21 0.02 0.00 -0.26 0.00 0.00 60.65 58.68 2aff s ILE 76 Cb -0.30 -3.69 0.14 0.00 1.25 0.00 0.00 42.46 39.86 2aff s ILE 76 CO 0.38 -0.82 1.83 0.44 0.24 0.00 0.00 174.94 177.01 2aff h ASP 77 N 7.95 0.61 -1.70 4.36 3.32 -1.95 -3.43 116.42 125.58 2aff h ASP 77 Ca -0.11 -0.13 -0.61 0.00 0.02 0.00 0.00 57.03 56.20 2aff h ASP 77 Cb 1.03 -0.16 -0.13 0.00 0.22 0.00 0.00 39.33 40.29 2aff h ASP 77 CO 0.79 0.68 -0.58 -1.61 -1.72 0.00 0.00 179.24 176.79 2aff s GLU 78 N -5.00 1.96 0.58 3.56 2.02 -1.26 -4.92 118.70 115.64 2aff s GLU 78 Ca -0.08 -2.14 -0.21 0.00 0.02 0.00 0.00 54.97 52.56 2aff s GLU 78 Cb 0.15 -1.48 -0.04 0.00 0.10 0.00 0.00 34.13 32.87 2aff s GLU 78 CO 0.78 -0.14 1.35 -2.14 0.02 0.00 0.00 175.26 175.14 2aff s PRO 79 N -3.77 2.96 0.00 0.39 0.02 -1.26 -4.72 135.00 128.63 2aff s PRO 79 Ca 0.30 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.54 2aff s PRO 79 Cb 0.08 -2.15 -0.00 0.00 0.02 0.00 0.00 34.50 32.45 2aff s PRO 79 CO 0.15 -1.32 -0.02 0.54 -0.33 0.00 0.00 177.00 176.02 2aff s VAL 80 N -1.31 0.10 0.03 3.83 0.11 -0.36 -4.99 120.40 117.81 2aff s VAL 80 Ca 0.75 -0.22 -0.30 0.00 -2.93 0.00 0.00 61.98 59.27 2aff s VAL 80 Cb -0.40 -0.13 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 2aff s VAL 80 CO 0.46 -0.08 1.19 -0.60 -3.33 0.00 0.00 175.10 172.75 2aff s ARG 81 N -0.31 4.42 0.13 1.54 3.52 -1.26 -0.02 118.95 126.96 2aff s ARG 81 Ca -0.03 1.73 -0.30 0.00 -0.13 0.00 0.00 55.73 57.00 2aff s ARG 81 Cb -0.02 -3.41 -0.06 0.00 -1.56 0.00 0.00 34.95 29.89 2aff s ARG 81 CO -0.00 -0.30 0.96 -0.51 -0.81 0.00 0.00 175.30 174.64 2aff s LEU 82 N 1.39 4.52 0.08 -0.88 1.43 0.24 -4.89 118.68 120.56 2aff s LEU 82 Ca 0.58 1.82 0.08 0.00 -1.03 0.00 0.00 54.13 55.58 2aff s LEU 82 Cb -0.28 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.32 2aff s LEU 82 CO 0.27 -0.04 -0.21 -0.54 0.23 0.00 0.00 176.35 176.06 2aff s LYS 83 N -0.16 1.26 -0.07 1.70 1.02 -1.26 -4.47 119.74 117.75 2aff s LYS 83 Ca 0.46 -1.08 -0.35 0.00 0.02 0.00 0.00 55.97 55.02 2aff s LYS 83 Cb -0.24 -1.48 -0.13 0.00 -0.52 0.00 0.00 37.83 35.46 2aff s LYS 83 CO 0.30 0.36 1.77 1.58 -0.92 0.00 0.00 175.35 178.44 2aff n HIS 84 N 1.40 2.22 0.00 3.18 -0.00 -1.26 -0.50 115.22 120.26 2aff n HIS 84 Ca -0.18 0.18 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2aff n HIS 84 Cb 0.53 -2.58 0.00 0.00 -0.00 0.00 0.00 29.99 27.94 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 4.07 2.29 3.74 1.57 0.00 -1.02 -5.04 105.19 110.82 2aff n GLY 85 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.51 6.74 -0.14 1.61 1.01 0.35 -4.82 116.67 119.90 2aff s ASP 86 Ca 0.00 2.59 -0.02 0.00 0.71 0.00 0.00 52.55 55.82 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 -0.63 -0.05 -0.69 0.21 0.00 0.00 175.17 174.00 2aff s VAL 87 N -0.07 3.77 -0.18 -1.27 1.01 -1.26 -2.32 120.40 120.08 2aff s VAL 87 Ca 0.58 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 2aff s VAL 87 Cb -0.40 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 2aff s VAL 87 CO 0.42 0.52 0.17 -0.63 0.00 0.00 0.00 175.10 175.59 2aff s ILE 88 N 0.12 5.39 -0.11 2.22 1.01 -0.56 -1.89 121.20 127.38 2aff s ILE 88 Ca -0.02 0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.95 2aff s ILE 88 Cb -0.14 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.83 2aff s ILE 88 CO 0.03 0.44 -0.21 -0.89 0.00 0.00 0.00 174.94 174.31 2aff s THR 89 N 0.26 1.92 -0.14 2.92 2.01 0.52 -0.10 115.64 123.03 2aff s THR 89 Ca 0.11 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.22 2aff s THR 89 Cb -0.12 -1.69 0.01 0.00 0.01 0.00 0.00 72.50 70.71 2aff s THR 89 CO 0.00 0.53 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.61 2aff s ILE 90 N 0.63 2.07 0.00 1.82 1.01 0.98 -1.29 121.20 126.42 2aff s ILE 90 Ca -0.13 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.55 2aff s ILE 90 Cb -0.16 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.48 2aff s ILE 90 CO 0.03 0.55 0.00 -0.38 0.00 0.00 0.00 174.94 175.14 2aff n ILE 91 N 4.05 0.00 -0.03 2.92 5.41 -1.26 0.44 119.36 130.89 2aff n ILE 91 Ca -0.20 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2aff n ILE 91 Cb 0.52 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.45 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 0.00 0.00 -4.02 4.38 2.03 -1.26 -4.98 116.55 112.70 2aff n ASP 92 Ca 0.00 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.08 2aff n ASP 92 Cb 0.00 -0.14 -0.16 0.00 -0.72 0.00 0.00 41.12 40.10 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 -0.00 1.35 0.04 -0.67 1.81 1.52 -4.59 118.95 118.42 2aff s ARG 93 Ca 0.00 -0.38 0.01 0.00 -1.72 0.00 0.00 55.73 53.64 2aff s ARG 93 Cb 0.00 -1.19 -0.03 0.00 -0.45 0.00 0.00 34.95 33.28 2aff s ARG 93 CO 0.00 0.09 -0.05 -1.54 -0.68 0.00 0.00 175.30 173.12 2aff s SER 94 N 0.40 0.55 -0.05 0.23 1.04 -1.26 0.33 113.70 114.94 2aff s SER 94 Ca -0.08 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 55.69 2aff s SER 94 Cb -0.12 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.11 2aff s SER 94 CO 0.02 -0.37 -0.11 -0.36 0.98 0.00 0.00 173.24 173.40 2aff s PHE 95 N -2.27 1.26 -0.08 5.02 0.40 0.86 -2.29 117.98 120.88 2aff s PHE 95 Ca -0.06 -0.40 -0.21 0.00 -0.60 0.00 0.00 56.93 55.65 2aff s PHE 95 Cb -0.04 -0.92 -0.04 0.00 0.51 0.00 0.00 43.02 42.53 2aff s PHE 95 CO -0.03 -0.20 0.62 1.03 0.70 0.00 0.00 175.22 177.33 2aff s ARG 96 N 0.48 4.40 -0.20 0.44 0.52 -0.80 -1.50 118.95 122.29 2aff s ARG 96 Ca -0.10 0.72 -0.15 0.00 -0.52 0.00 0.00 55.73 55.69 2aff s ARG 96 Cb -0.13 -3.44 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 2aff s ARG 96 CO 0.02 0.12 0.34 -0.47 0.02 0.00 0.00 175.30 175.33 2aff s TYR 97 N 0.66 3.39 -0.10 -0.53 5.04 -0.98 -2.36 117.35 122.47 2aff s TYR 97 Ca 0.33 0.56 -0.02 0.00 -2.44 0.00 0.00 57.07 55.50 2aff s TYR 97 Cb -0.17 -2.44 0.03 0.00 0.35 0.00 0.00 41.96 39.73 2aff s TYR 97 CO 0.15 0.06 0.00 -1.21 -1.34 0.00 0.00 175.55 173.22 2aff s GLU 98 N 1.06 0.70 0.00 4.97 2.02 -0.95 -2.43 118.70 124.07 2aff s GLU 98 Ca 0.17 -0.02 0.23 0.00 0.02 0.00 0.00 54.97 55.36 2aff s GLU 98 Cb -0.14 -1.24 0.46 0.00 0.10 0.00 0.00 34.13 33.30 2aff s GLU 98 CO 0.06 -0.36 1.41 0.27 0.02 0.00 0.00 175.26 176.66 2aff n ASN 99 N 5.11 3.53 0.00 -0.19 6.94 -1.26 -1.07 115.26 128.33 2aff n ASN 99 Ca -0.08 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.49 2aff n ASN 99 Cb 0.49 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 2aff n ASN 99 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61