#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 1.10 -3.68 0.52 1.35 -1.95 -3.44 112.91 106.81 2aff h THR 4 Ca 0.00 -2.73 -0.66 0.00 -0.55 0.00 0.00 66.41 62.46 2aff h THR 4 Cb 0.00 2.50 -0.17 0.00 -1.73 0.00 0.00 68.15 68.75 2aff h THR 4 CO 0.00 0.63 -0.32 -0.13 -0.25 0.00 0.00 175.52 175.44 2aff s ARG 5 N -2.77 3.57 -0.02 4.72 0.52 -1.26 -0.58 118.95 123.13 2aff s ARG 5 Ca -0.00 -0.44 0.04 0.00 -0.52 0.00 0.00 55.73 54.80 2aff s ARG 5 Cb 0.09 -3.80 -0.01 0.00 0.52 0.00 0.00 34.95 31.75 2aff s ARG 5 CO 0.80 -0.50 -0.13 1.03 0.02 0.00 0.00 175.30 176.52 2aff s ARG 6 N 1.96 1.18 -0.07 3.54 0.52 -0.55 -1.09 118.95 124.45 2aff s ARG 6 Ca 0.11 -0.47 0.03 0.00 -0.52 0.00 0.00 55.73 54.87 2aff s ARG 6 Cb -0.17 -1.11 -0.02 0.00 0.52 0.00 0.00 34.95 34.17 2aff s ARG 6 CO 0.11 0.25 -0.16 -1.17 0.02 0.00 0.00 175.30 174.36 2aff s LEU 7 N -0.17 2.63 -0.12 2.53 2.96 -0.97 -1.29 118.68 124.24 2aff s LEU 7 Ca 0.02 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 2aff s LEU 7 Cb -0.07 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 2aff s LEU 7 CO 0.00 0.29 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.52 2aff s VAL 8 N -0.39 3.25 -0.30 1.68 1.01 -0.63 0.83 120.40 125.86 2aff s VAL 8 Ca 0.04 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 2aff s VAL 8 Cb -0.12 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 2aff s VAL 8 CO 0.02 0.53 0.43 -0.89 0.00 0.00 0.00 175.10 175.20 2aff s THR 9 N 0.10 5.11 0.26 3.92 2.01 -0.80 -1.67 115.64 124.57 2aff s THR 9 Ca -0.05 0.45 -0.23 0.00 0.31 0.00 0.00 61.69 62.17 2aff s THR 9 Cb -0.14 -3.81 -0.09 0.00 0.01 0.00 0.00 72.50 68.46 2aff s THR 9 CO 0.04 -0.01 0.83 -0.63 -0.69 0.00 0.00 174.62 174.16 2aff s ILE 10 N 2.19 4.38 0.42 1.82 1.01 -0.97 -1.68 121.20 128.36 2aff s ILE 10 Ca 0.16 1.59 -0.03 0.00 0.00 0.00 0.00 60.65 62.38 2aff s ILE 10 Cb -0.16 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 2aff s ILE 10 CO 0.11 0.23 0.67 -0.54 0.00 0.00 0.00 174.94 175.42 2aff s LYS 11 N -1.87 3.52 0.55 2.79 1.02 0.12 -4.53 119.74 121.34 2aff s LYS 11 Ca 0.45 -0.05 0.23 0.00 0.02 0.00 0.00 55.97 56.62 2aff s LYS 11 Cb -0.19 -2.51 1.47 0.00 -0.52 0.00 0.00 37.83 36.08 2aff s LYS 11 CO 0.23 -0.04 2.14 0.00 -0.92 0.00 0.00 175.35 176.76 2aff h ARG 12 N 0.49 0.00 0.00 1.68 3.08 -1.88 0.27 114.38 118.03 2aff h ARG 12 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2aff h ARG 12 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2aff h ARG 12 CO 0.62 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.39 2aff n SER 13 N -4.25 0.00 -0.09 7.04 3.41 -1.26 -4.87 113.62 113.60 2aff n SER 13 Ca 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2aff n SER 13 Cb 0.22 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aff n GLY 14 N 1.12 1.14 3.27 5.00 0.00 0.96 -5.09 105.19 111.60 2aff n GLY 14 Ca 0.08 -0.38 -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 0.14 0.00 0.00 0.00 173.32 173.46 2aff s VAL 15 N -2.19 2.24 0.21 1.61 1.01 -1.23 -4.85 120.40 117.20 2aff s VAL 15 Ca 0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 2aff s VAL 15 Cb 0.00 -1.85 -0.09 0.00 0.00 0.00 0.00 36.38 34.45 2aff s VAL 15 CO 0.00 0.56 1.21 -1.81 0.00 0.00 0.00 175.10 175.06 2aff s ASP 16 N 0.07 7.06 0.00 3.32 1.01 -1.26 0.14 116.67 127.01 2aff s ASP 16 Ca -0.10 2.30 0.00 0.00 0.71 0.00 0.00 52.55 55.46 2aff s ASP 16 Cb -0.16 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.16 2aff s ASP 16 CO 0.06 -0.37 0.00 0.61 0.21 0.00 0.00 175.17 175.67 2aff n GLY 17 N 1.97 2.85 3.79 0.21 0.00 -0.68 -4.91 105.19 108.42 2aff n GLY 17 Ca 0.03 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 3.18 3.69 0.13 1.61 0.04 -1.26 -4.74 135.00 137.64 2aff s PRO 18 Ca 0.00 1.47 0.05 0.00 0.04 0.00 0.00 61.00 62.55 2aff s PRO 18 Cb 0.00 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2aff s PRO 18 CO 0.00 -0.55 0.09 -3.38 0.04 0.00 0.00 177.00 173.20 2aff s HIS 19 N -1.87 3.11 -0.46 0.56 -3.43 -1.26 -1.90 115.29 110.04 2aff s HIS 19 Ca 0.68 -0.00 0.04 0.00 -0.80 0.00 0.00 55.06 54.98 2aff s HIS 19 Cb -0.20 -1.53 0.12 0.00 -1.43 0.00 0.00 32.58 29.54 2aff s HIS 19 CO 0.23 0.52 0.20 0.12 -2.00 0.00 0.00 174.74 173.81 2aff s PHE 20 N -1.59 3.16 0.13 0.38 5.36 0.24 -4.97 117.98 120.70 2aff s PHE 20 Ca 0.30 -3.01 -0.31 0.00 -0.96 0.00 0.00 56.93 52.94 2aff s PHE 20 Cb -0.11 -2.72 -0.11 0.00 -0.34 0.00 0.00 43.02 39.74 2aff s PHE 20 CO 0.22 -0.80 1.82 -2.30 -1.46 0.00 0.00 175.22 172.69 2aff n PRO 21 N 3.50 2.77 -1.27 10.12 -0.02 -1.26 -2.29 135.00 146.55 2aff n PRO 21 Ca 0.05 1.01 -0.24 0.00 -2.02 0.00 0.00 63.50 62.30 2aff n PRO 21 Cb 0.35 -2.89 -0.01 0.00 -0.02 0.00 0.00 33.50 30.93 2aff n PRO 21 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2aff n LEU 22 N 5.36 6.55 0.31 2.45 4.77 -0.25 -4.52 117.00 131.67 2aff n LEU 22 Ca 0.18 -3.81 0.18 0.00 -0.03 0.00 0.00 56.01 52.53 2aff n LEU 22 Cb 0.37 -1.15 1.00 0.00 -2.33 0.00 0.00 43.42 41.31 2aff n LEU 22 CO 0.66 1.54 1.13 0.77 -1.33 0.00 0.00 177.39 180.16 2aff h SER 23 N 2.39 0.00 -3.91 -1.43 4.64 -1.90 -3.42 113.55 109.93 2aff h SER 23 Ca 0.37 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 61.21 2aff h SER 23 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2aff h SER 23 CO 0.88 0.01 0.39 -0.76 -0.87 0.00 0.00 176.83 176.48 2aff s LEU 24 N -7.12 4.28 0.51 5.97 1.43 -1.26 -4.94 118.68 117.55 2aff s LEU 24 Ca -0.05 1.99 0.33 0.00 -1.03 0.00 0.00 54.13 55.37 2aff s LEU 24 Cb 0.14 -4.03 1.48 0.00 0.03 0.00 0.00 46.19 43.81 2aff s LEU 24 CO 0.50 -0.26 1.99 0.28 0.23 0.00 0.00 176.35 179.09 2aff h SER 25 N 2.97 0.00 -3.73 2.29 0.02 -1.90 -3.43 113.55 109.77 2aff h SER 25 Ca -0.47 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.10 2aff h SER 25 Cb 1.20 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.43 2aff h SER 25 CO 0.64 0.00 -0.77 -0.89 -1.14 0.00 0.00 176.83 174.67 2aff s THR 26 N -3.68 0.52 -0.13 -2.27 2.01 -1.26 -0.46 115.64 110.36 2aff s THR 26 Ca 0.00 -0.20 -0.00 0.00 0.31 0.00 0.00 61.69 61.80 2aff s THR 26 Cb 0.10 -0.49 0.03 0.00 0.01 0.00 0.00 72.50 72.14 2aff s THR 26 CO 0.47 0.18 -0.10 0.00 -0.69 0.00 0.00 174.62 174.48 2aff s LEU 28 N 1.60 2.78 -0.16 0.00 2.96 -1.26 -0.46 118.68 124.14 2aff s LEU 28 Ca 0.04 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.58 2aff s LEU 28 Cb -0.13 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 2aff s LEU 28 CO -0.09 0.13 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.70 2aff s PHE 29 N 0.55 3.08 -0.00 5.38 0.40 0.12 -0.30 117.98 127.22 2aff s PHE 29 Ca -0.07 -0.18 -0.04 0.00 -0.60 0.00 0.00 56.93 56.04 2aff s PHE 29 Cb -0.15 -1.98 0.01 0.00 0.51 0.00 0.00 43.02 41.41 2aff s PHE 29 CO 0.03 0.04 0.16 0.41 0.70 0.00 0.00 175.22 176.57 2aff n GLY 30 N 3.45 0.63 0.05 4.36 0.00 -0.66 -2.51 105.19 110.52 2aff n GLY 30 Ca -0.17 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.12 0.13 -3.36 1.61 0.63 0.22 -2.14 116.66 113.64 2aff n ARG 31 Ca 0.01 -0.09 -0.25 0.00 -0.92 0.00 0.00 57.85 56.59 2aff n ARG 31 Cb 0.08 -1.50 -0.02 0.00 0.45 0.00 0.00 32.46 31.47 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 -2.93 1.45 0.17 5.14 0.00 -1.26 -4.73 107.32 105.16 2aff s GLY 32 Ca 0.12 -0.84 -0.10 0.00 0.00 0.00 0.00 44.72 43.90 2aff s GLY 32 CO 0.74 -0.77 1.61 1.19 0.00 0.00 0.00 173.10 175.87 2aff h ILE 33 N 0.87 1.27 -0.17 0.90 6.09 -1.94 -2.42 117.51 122.10 2aff h ILE 33 Ca -0.49 -1.22 0.05 0.00 -1.37 0.00 0.00 64.86 61.83 2aff h ILE 33 Cb 1.21 0.91 -0.01 0.00 0.47 0.00 0.00 36.82 39.40 2aff h ILE 33 CO 0.62 0.44 0.38 -0.08 -3.07 0.00 0.00 178.15 176.44 2aff h GLU 34 N 0.93 0.00 -6.81 2.19 4.81 -1.96 -3.41 114.58 110.33 2aff h GLU 34 Ca 0.15 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.87 2aff h GLU 34 Cb 0.63 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.04 2aff h GLU 34 CO 0.04 0.00 0.54 0.00 -0.73 0.00 0.00 179.01 178.87 2aff h ASP 36 N 3.87 0.14 -3.18 0.00 3.32 -0.88 -3.38 116.42 116.30 2aff h ASP 36 Ca -0.47 -0.01 -0.53 0.00 0.02 0.00 0.00 57.03 56.04 2aff h ASP 36 Cb 1.22 -0.04 -0.37 0.00 0.22 0.00 0.00 39.33 40.36 2aff h ASP 36 CO 0.68 0.14 -0.80 -0.63 -1.72 0.00 0.00 179.24 176.91 2aff s ILE 37 N -5.10 1.05 -0.12 0.35 1.01 0.26 -4.94 121.20 113.72 2aff s ILE 37 Ca -0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 2aff s ILE 37 Cb 0.17 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 2aff s ILE 37 CO 0.69 0.37 -0.01 -0.60 0.00 0.00 0.00 174.94 175.40 2aff s ARG 38 N 1.66 3.35 -0.11 2.79 3.52 -1.26 -1.65 118.95 127.26 2aff s ARG 38 Ca 0.04 -0.45 0.02 0.00 -0.13 0.00 0.00 55.73 55.22 2aff s ARG 38 Cb -0.13 -2.88 -0.01 0.00 -1.56 0.00 0.00 34.95 30.37 2aff s ARG 38 CO -0.08 0.48 -0.19 0.42 -0.81 0.00 0.00 175.30 175.12 2aff s ILE 39 N -0.27 2.49 0.00 4.11 1.01 -0.91 -5.01 121.20 122.62 2aff s ILE 39 Ca 0.06 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2aff s ILE 39 Cb -0.12 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.36 2aff s ILE 39 CO 0.02 0.55 1.02 0.00 0.00 0.00 0.00 174.94 176.53 2aff n GLN 40 N 3.44 0.68 -4.83 2.79 6.02 -1.26 -4.64 117.38 119.59 2aff n GLN 40 Ca -0.18 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.48 2aff n GLN 40 Cb 0.53 -1.16 -0.14 0.00 1.02 0.00 0.00 30.24 30.49 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 2.69 0.11 1.08 1.43 -1.26 -5.00 118.68 117.72 2aff s LEU 41 Ca 0.00 -0.31 0.21 0.00 -1.03 0.00 0.00 54.13 53.00 2aff s LEU 41 Cb 0.00 -1.59 0.85 0.00 0.03 0.00 0.00 46.19 45.48 2aff s LEU 41 CO 0.00 0.20 1.64 -0.81 0.23 0.00 0.00 176.35 177.62 2aff n PRO 42 N 3.26 0.09 -0.01 1.29 -0.04 -1.26 -2.33 135.00 135.99 2aff n PRO 42 Ca -0.18 0.27 0.14 0.00 -0.04 0.00 0.00 63.50 63.68 2aff n PRO 42 Cb 0.53 -1.65 0.56 0.00 -0.04 0.00 0.00 33.50 32.90 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 -1.82 0.04 -3.26 0.52 0.24 -1.26 -4.83 118.33 107.95 2aff n VAL 43 Ca 0.04 -0.22 -0.38 0.00 -2.04 0.00 0.00 64.34 61.73 2aff n VAL 43 Cb 0.24 0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 32.86 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 -1.96 5.10 0.88 3.34 1.01 -0.99 -4.93 120.40 122.85 2aff s VAL 44 Ca 0.38 1.08 -0.12 0.00 0.00 0.00 0.00 61.98 63.32 2aff s VAL 44 Cb 0.20 -3.87 0.12 0.00 0.00 0.00 0.00 36.38 32.84 2aff s VAL 44 CO 0.32 0.35 1.09 -0.55 0.00 0.00 0.00 175.10 176.32 2aff s SER 45 N 0.35 3.61 0.23 3.32 0.15 -1.26 -4.21 113.70 115.89 2aff s SER 45 Ca 0.29 1.43 -0.07 0.00 0.70 0.00 0.00 55.95 58.30 2aff s SER 45 Cb -0.16 -2.12 0.20 0.00 -1.71 0.00 0.00 66.02 62.23 2aff s SER 45 CO 0.13 -2.55 1.84 0.11 1.20 0.00 0.00 173.24 173.98 2aff h LYS 46 N -1.49 1.25 0.00 5.44 1.57 -1.93 0.65 116.57 122.07 2aff h LYS 46 Ca -0.49 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 2aff h LYS 46 Cb 1.28 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2aff h LYS 46 CO 0.56 0.93 -0.97 1.04 -0.57 0.00 0.00 179.45 180.43 2aff n GLN 47 N -4.32 0.73 0.00 3.15 6.02 -1.26 -3.91 117.38 117.79 2aff n GLN 47 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 2aff n GLN 47 Cb 0.11 -0.99 0.00 0.00 1.02 0.00 0.00 30.24 30.39 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 -1.54 0.00 -4.63 1.08 -0.00 -1.12 -3.84 115.22 105.17 2aff n HIS 48 Ca 0.00 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.94 2aff n HIS 48 Cb 0.08 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.78 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 0.39 1.71 -0.14 0.00 2.20 -0.55 0.11 119.74 123.46 2aff s LYS 50 Ca -0.09 -0.37 -0.04 0.00 -0.36 0.00 0.00 55.97 55.11 2aff s LYS 50 Cb -0.13 -1.55 -0.03 0.00 -1.51 0.00 0.00 37.83 34.60 2aff s LYS 50 CO 0.03 -0.11 -0.00 0.42 -0.36 0.00 0.00 175.35 175.33 2aff s ILE 51 N 1.13 4.25 -0.15 5.43 1.01 0.39 0.30 121.20 133.57 2aff s ILE 51 Ca -0.05 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.36 2aff s ILE 51 Cb -0.14 -2.85 -0.00 0.00 0.01 0.00 0.00 42.46 39.48 2aff s ILE 51 CO -0.02 0.52 -0.17 -0.70 0.00 0.00 0.00 174.94 174.57 2aff s GLU 52 N -0.06 3.17 -0.24 2.79 2.12 0.76 -1.97 118.70 125.27 2aff s GLU 52 Ca 0.03 -0.78 -0.05 0.00 0.36 0.00 0.00 54.97 54.53 2aff s GLU 52 Cb -0.13 -2.56 -0.02 0.00 0.26 0.00 0.00 34.13 31.69 2aff s GLU 52 CO 0.02 0.04 0.01 0.42 -0.54 0.00 0.00 175.26 175.21 2aff s ILE 53 N 0.74 3.77 -0.03 -3.70 1.01 0.40 -0.55 121.20 122.84 2aff s ILE 53 Ca -0.07 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.24 2aff s ILE 53 Cb -0.16 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 2aff s ILE 53 CO 0.01 0.37 -0.15 -1.00 0.00 0.00 0.00 174.94 174.17 2aff s HIS 54 N 1.53 2.68 0.61 3.97 3.76 0.60 -4.90 115.29 123.55 2aff s HIS 54 Ca 0.06 -0.18 0.23 0.00 -0.15 0.00 0.00 55.06 55.02 2aff s HIS 54 Cb -0.15 -1.59 0.82 0.00 1.11 0.00 0.00 32.58 32.77 2aff s HIS 54 CO -0.00 0.21 1.29 0.93 -0.85 0.00 0.00 174.74 176.31 2aff h GLU 55 N 5.13 0.00 0.03 1.40 3.07 -2.01 0.32 114.58 122.52 2aff h GLU 55 Ca -0.47 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.39 2aff h GLU 55 Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 2aff h GLU 55 CO 0.50 0.00 -0.02 1.96 -1.40 0.00 0.00 179.01 180.05 2aff h GLN 56 N 0.00 -0.05 0.00 2.33 1.08 -2.01 -3.49 115.11 112.97 2aff h GLN 56 Ca 0.41 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.52 2aff h GLN 56 Cb 2.71 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 30.13 2aff h GLN 56 CO -0.00 -0.03 -0.00 -0.85 -0.95 0.00 0.00 178.83 177.00 2aff n GLU 57 N -2.26 0.41 -4.51 1.46 0.28 0.11 -5.16 120.64 110.97 2aff n GLU 57 Ca -0.01 -1.26 -0.33 0.00 -0.16 0.00 0.00 57.16 55.40 2aff n GLU 57 Cb 0.02 1.32 -0.13 0.00 1.43 0.00 0.00 31.44 34.08 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 -1.93 2.90 -0.09 -1.84 0.00 -1.26 -0.29 121.76 119.24 2aff s ALA 58 Ca 0.12 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.28 2aff s ALA 58 Cb -0.01 -1.45 -0.00 0.00 0.00 0.00 0.00 23.12 21.65 2aff s ALA 58 CO 0.09 0.23 -0.23 0.42 0.00 0.00 0.00 175.76 176.27 2aff s ILE 59 N 0.33 1.94 -0.21 0.00 1.01 0.29 0.52 121.20 125.09 2aff s ILE 59 Ca -0.06 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 59.53 2aff s ILE 59 Cb -0.15 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 2aff s ILE 59 CO 0.04 0.54 0.13 -0.22 0.00 0.00 0.00 174.94 175.43 2aff s LEU 60 N 0.28 4.19 -0.09 2.97 2.96 -0.09 -0.17 118.68 128.73 2aff s LEU 60 Ca -0.16 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2aff s LEU 60 Cb -0.17 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 2aff s LEU 60 CO 0.07 0.16 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.14 2aff s HIS 61 N 0.48 2.79 -0.50 5.38 3.76 0.15 -1.71 115.29 125.63 2aff s HIS 61 Ca 0.08 -0.35 -0.19 0.00 -0.15 0.00 0.00 55.06 54.46 2aff s HIS 61 Cb -0.11 -1.74 0.06 0.00 1.11 0.00 0.00 32.58 31.89 2aff s HIS 61 CO -0.01 0.03 0.59 1.21 -0.85 0.00 0.00 174.74 175.71 2aff s ASN 62 N -0.24 6.21 0.00 1.40 3.84 -1.26 -1.49 114.94 123.40 2aff s ASN 62 Ca 0.02 -0.96 0.23 0.00 0.21 0.00 0.00 52.86 52.35 2aff s ASN 62 Cb -0.13 -2.27 0.05 0.00 -0.55 0.00 0.00 41.25 38.34 2aff s ASN 62 CO 0.03 -0.85 1.11 0.49 -2.79 0.00 0.00 177.10 175.09 2aff n PHE 63 N 6.02 0.00 -2.03 0.43 3.01 0.61 -4.86 117.46 120.64 2aff n PHE 63 Ca -0.07 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.99 2aff n PHE 63 Cb 0.45 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.86 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 -2.70 5.40 0.00 4.37 0.01 -0.39 -4.54 113.70 115.86 2aff s SER 64 Ca 0.15 0.56 0.26 0.00 1.31 0.00 0.00 55.95 58.24 2aff s SER 64 Cb 0.17 -2.53 0.73 0.00 0.21 0.00 0.00 66.02 64.61 2aff s SER 64 CO 0.68 -2.23 1.55 -1.54 0.41 0.00 0.00 173.24 172.11 2aff n SER 65 N 12.23 0.81 -0.12 2.44 3.41 -1.26 -3.63 113.62 127.49 2aff n SER 65 Ca 0.21 -0.65 -0.19 0.00 -0.26 0.00 0.00 58.87 57.98 2aff n SER 65 Cb 0.51 0.14 -0.11 0.00 -0.26 0.00 0.00 64.21 64.49 2aff n SER 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2aff n THR 66 N -0.94 1.40 -3.52 6.66 -1.04 -1.26 -4.90 114.28 110.70 2aff n THR 66 Ca 0.10 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.35 2aff n THR 66 Cb 0.34 -1.47 -0.14 0.00 -1.82 0.00 0.00 70.33 67.24 2aff n THR 66 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2aff s ASN 67 N -6.57 3.22 0.52 8.00 0.01 -1.26 -5.14 114.94 113.72 2aff s ASN 67 Ca -0.34 -1.21 -0.22 0.00 -0.71 0.00 0.00 52.86 50.39 2aff s ASN 67 Cb 0.10 -0.21 -0.07 0.00 0.41 0.00 0.00 41.25 41.48 2aff s ASN 67 CO 0.54 -0.43 1.09 -2.65 -1.51 0.00 0.00 177.10 174.14 2aff n PRO 68 N 5.24 1.31 -2.39 -0.60 -0.02 -1.24 -4.66 135.00 132.65 2aff n PRO 68 Ca -0.05 0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 2aff n PRO 68 Cb 0.43 -2.24 -0.04 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 -1.37 3.35 -0.08 3.45 2.01 -1.26 -4.87 115.64 116.88 2aff s THR 69 Ca 0.69 1.32 -0.02 0.00 0.31 0.00 0.00 61.69 63.99 2aff s THR 69 Cb -0.47 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 2aff s THR 69 CO 0.52 0.30 0.02 -1.10 -0.69 0.00 0.00 174.62 173.67 2aff s GLN 70 N -1.31 3.04 -0.04 4.92 -0.21 -0.51 -1.42 119.66 124.13 2aff s GLN 70 Ca 0.47 -0.38 0.02 0.00 0.02 0.00 0.00 55.36 55.49 2aff s GLN 70 Cb -0.34 -2.85 0.01 0.00 1.00 0.00 0.00 33.01 30.84 2aff s GLN 70 CO 0.43 0.71 -0.08 0.08 -2.12 0.00 0.00 175.29 174.30 2aff s VAL 71 N -0.93 0.77 -1.28 1.09 1.01 0.46 0.21 120.40 121.74 2aff s VAL 71 Ca 0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 2aff s VAL 71 Cb -0.11 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.57 2aff s VAL 71 CO 0.03 0.26 0.29 0.59 0.00 0.00 0.00 175.10 176.27 2aff n ASN 72 N 3.61 -4.37 -0.92 3.32 3.02 -0.73 0.33 115.26 119.51 2aff n ASN 72 Ca -0.21 -0.12 -0.09 0.00 -0.03 0.00 0.00 54.58 54.13 2aff n ASN 72 Cb 0.53 -3.63 -0.01 0.00 -0.61 0.00 0.00 39.78 36.05 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 -1.08 0.22 2.92 7.41 0.00 -1.26 -5.03 105.19 108.36 2aff n GLY 73 Ca -0.10 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 2aff n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aff s SER 74 N -2.67 -0.02 0.35 1.61 1.04 0.15 -5.10 113.70 109.06 2aff s SER 74 Ca 0.00 0.03 -0.27 0.00 0.48 0.00 0.00 55.95 56.20 2aff s SER 74 Cb 0.00 0.08 -0.09 0.00 0.10 0.00 0.00 66.02 66.11 2aff s SER 74 CO 0.00 -0.04 1.14 -0.69 0.98 0.00 0.00 173.24 174.63 2aff s VAL 75 N -0.09 3.33 -0.61 5.02 1.01 -1.26 0.17 120.40 127.97 2aff s VAL 75 Ca -0.01 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.17 2aff s VAL 75 Cb -0.01 -3.71 0.16 0.00 0.00 0.00 0.00 36.38 32.81 2aff s VAL 75 CO 0.00 0.18 0.40 0.27 0.00 0.00 0.00 175.10 175.96 2aff s ILE 76 N -1.34 3.29 0.46 2.22 -4.36 -0.51 -4.87 121.20 116.09 2aff s ILE 76 Ca 0.52 -3.27 0.26 0.00 -0.26 0.00 0.00 60.65 57.89 2aff s ILE 76 Cb -0.31 -3.18 0.29 0.00 1.25 0.00 0.00 42.46 40.52 2aff s ILE 76 CO 0.39 -0.88 2.10 0.44 0.24 0.00 0.00 174.94 177.23 2aff h ASP 77 N 6.62 0.00 -1.91 4.36 3.32 -1.95 -3.42 116.42 123.44 2aff h ASP 77 Ca -0.01 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.44 2aff h ASP 77 Cb 0.90 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.32 2aff h ASP 77 CO 0.71 0.10 -0.56 -1.83 -1.72 0.00 0.00 179.24 175.94 2aff s GLU 78 N -4.35 1.95 0.43 3.56 -1.05 -1.26 -4.87 118.70 113.11 2aff s GLU 78 Ca -0.03 -2.16 -0.26 0.00 -0.15 0.00 0.00 54.97 52.37 2aff s GLU 78 Cb 0.14 -1.26 -0.09 0.00 -0.44 0.00 0.00 34.13 32.48 2aff s GLU 78 CO 0.59 -0.24 1.41 -2.14 0.95 0.00 0.00 175.26 175.84 2aff s PRO 79 N -3.80 3.80 -0.02 -4.83 0.02 -1.26 -4.69 135.00 124.22 2aff s PRO 79 Ca 0.25 2.39 0.02 0.00 0.02 0.00 0.00 61.00 63.68 2aff s PRO 79 Cb 0.06 -2.72 0.00 0.00 0.02 0.00 0.00 34.50 31.87 2aff s PRO 79 CO 0.13 -0.71 -0.05 0.08 -0.33 0.00 0.00 177.00 176.11 2aff s VAL 80 N -1.20 0.46 0.10 3.83 1.01 -0.69 -4.97 120.40 118.94 2aff s VAL 80 Ca 0.59 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 2aff s VAL 80 Cb -0.43 -0.42 -0.06 0.00 0.00 0.00 0.00 36.38 35.46 2aff s VAL 80 CO 0.56 0.16 1.19 -0.13 0.00 0.00 0.00 175.10 176.87 2aff s ARG 81 N 0.21 4.47 0.19 2.72 0.52 -1.26 -0.91 118.95 124.88 2aff s ARG 81 Ca -0.02 1.79 -0.27 0.00 -0.52 0.00 0.00 55.73 56.71 2aff s ARG 81 Cb -0.06 -3.31 -0.08 0.00 0.52 0.00 0.00 34.95 32.01 2aff s ARG 81 CO -0.00 -0.18 0.84 -0.51 0.02 0.00 0.00 175.30 175.47 2aff s LEU 82 N 0.58 4.62 0.08 2.53 1.43 0.19 -4.92 118.68 123.18 2aff s LEU 82 Ca 0.56 1.77 0.05 0.00 -1.03 0.00 0.00 54.13 55.48 2aff s LEU 82 Cb -0.30 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 2aff s LEU 82 CO 0.32 0.19 -0.13 -0.54 0.23 0.00 0.00 176.35 176.41 2aff s LYS 83 N -1.15 0.83 -0.21 1.70 1.02 -1.26 -4.51 119.74 116.16 2aff s LYS 83 Ca 0.38 -1.01 -0.34 0.00 0.02 0.00 0.00 55.97 55.02 2aff s LYS 83 Cb -0.24 -0.77 -0.11 0.00 -0.52 0.00 0.00 37.83 36.19 2aff s LYS 83 CO 0.29 0.16 2.04 1.58 -0.92 0.00 0.00 175.35 178.49 2aff n HIS 84 N 1.09 2.00 0.00 3.18 -0.00 -1.26 0.05 115.22 120.28 2aff n HIS 84 Ca -0.20 0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.62 2aff n HIS 84 Cb 0.55 -2.62 0.00 0.00 -0.00 0.00 0.00 29.99 27.92 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 5.35 0.80 3.69 1.57 0.00 -1.01 -4.98 105.19 110.60 2aff n GLY 85 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.78 7.22 -0.15 1.61 -1.08 0.11 -4.88 116.67 117.73 2aff s ASP 86 Ca 0.00 1.57 -0.03 0.00 -0.52 0.00 0.00 52.55 53.57 2aff s ASP 86 Cb 0.00 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.88 2aff s ASP 86 CO 0.00 -0.47 -0.06 -0.69 0.52 0.00 0.00 175.17 174.47 2aff s VAL 87 N 2.06 3.73 -0.12 1.11 1.01 -1.26 -2.06 120.40 124.88 2aff s VAL 87 Ca 0.49 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.88 2aff s VAL 87 Cb -0.19 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 2aff s VAL 87 CO 0.18 0.51 0.45 -0.63 0.00 0.00 0.00 175.10 175.61 2aff s ILE 88 N 0.29 5.19 -0.12 2.22 1.01 -0.31 -1.77 121.20 127.71 2aff s ILE 88 Ca -0.05 0.90 0.03 0.00 0.00 0.00 0.00 60.65 61.53 2aff s ILE 88 Cb -0.14 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.55 2aff s ILE 88 CO 0.03 0.35 -0.20 -0.89 0.00 0.00 0.00 174.94 174.23 2aff s THR 89 N 0.50 1.88 -0.11 2.92 2.01 0.56 0.56 115.64 123.96 2aff s THR 89 Ca 0.25 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.39 2aff s THR 89 Cb -0.15 -1.67 0.01 0.00 0.01 0.00 0.00 72.50 70.70 2aff s THR 89 CO 0.10 0.52 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.71 2aff s ILE 90 N 0.71 1.88 0.00 1.82 1.01 0.47 -1.43 121.20 125.66 2aff s ILE 90 Ca -0.11 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.65 2aff s ILE 90 Cb -0.16 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.65 2aff s ILE 90 CO 0.01 0.52 0.00 -0.38 0.00 0.00 0.00 174.94 175.09 2aff n ILE 91 N 3.85 0.00 -0.63 2.92 5.41 -1.26 0.16 119.36 129.81 2aff n ILE 91 Ca -0.20 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 0.14 0.00 -0.71 0.00 0.00 39.64 39.59 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 2.93 2.78 -4.12 4.38 2.03 -1.26 -4.99 116.55 118.30 2aff n ASP 92 Ca 0.00 -2.61 -0.18 0.00 0.52 0.00 0.00 54.79 52.52 2aff n ASP 92 Cb 0.00 -0.32 -0.13 0.00 -0.72 0.00 0.00 41.12 39.95 2aff n ASP 92 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aff s ARG 93 N -2.06 0.81 0.04 -0.67 1.70 0.43 -4.66 118.95 114.53 2aff s ARG 93 Ca 0.25 -0.72 -0.00 0.00 -0.47 0.00 0.00 55.73 54.79 2aff s ARG 93 Cb 0.20 -0.78 -0.03 0.00 -0.57 0.00 0.00 34.95 33.77 2aff s ARG 93 CO 0.06 0.19 -0.04 -1.12 -1.08 0.00 0.00 175.30 173.31 2aff s SER 94 N -1.17 0.49 -0.16 -2.89 0.01 -1.26 0.18 113.70 108.90 2aff s SER 94 Ca -0.01 -0.78 0.01 0.00 1.31 0.00 0.00 55.95 56.48 2aff s SER 94 Cb -0.08 0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.31 2aff s SER 94 CO 0.01 -0.44 -0.18 -0.36 0.41 0.00 0.00 173.24 172.68 2aff s PHE 95 N -2.77 2.46 -0.02 2.43 0.40 0.19 -2.28 117.98 118.39 2aff s PHE 95 Ca -0.02 -1.38 -0.26 0.00 -0.60 0.00 0.00 56.93 54.66 2aff s PHE 95 Cb -0.00 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 2aff s PHE 95 CO -0.05 -0.70 0.82 0.50 0.70 0.00 0.00 175.22 176.48 2aff s ARG 96 N 1.29 4.50 -0.23 0.44 3.52 -0.67 -1.16 118.95 126.63 2aff s ARG 96 Ca 0.03 1.12 -0.14 0.00 -0.13 0.00 0.00 55.73 56.61 2aff s ARG 96 Cb -0.13 -3.43 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 2aff s ARG 96 CO -0.10 0.07 0.32 -0.47 -0.81 0.00 0.00 175.30 174.31 2aff s TYR 97 N 0.70 3.32 -0.11 5.12 5.04 -0.87 -1.60 117.35 128.94 2aff s TYR 97 Ca 0.43 0.44 0.02 0.00 -2.44 0.00 0.00 57.07 55.53 2aff s TYR 97 Cb -0.20 -2.47 0.01 0.00 0.35 0.00 0.00 41.96 39.66 2aff s TYR 97 CO 0.23 -0.05 -0.18 -1.21 -1.34 0.00 0.00 175.55 173.00 2aff s GLU 98 N 1.46 2.48 -0.20 4.97 2.02 -0.41 -2.41 118.70 126.61 2aff s GLU 98 Ca 0.15 -0.66 -0.03 0.00 0.02 0.00 0.00 54.97 54.44 2aff s GLU 98 Cb -0.15 -2.04 -0.01 0.00 0.10 0.00 0.00 34.13 32.04 2aff s GLU 98 CO 0.08 -0.01 -0.07 1.21 0.02 0.00 0.00 175.26 176.49 2aff s ASN 99 N 0.83 4.18 0.00 -0.19 3.84 -1.26 -1.48 114.94 120.86 2aff s ASN 99 Ca -0.09 -0.39 0.00 0.00 0.21 0.00 0.00 52.86 52.59 2aff s ASN 99 Cb -0.16 -1.70 0.00 0.00 -0.55 0.00 0.00 41.25 38.84 2aff s ASN 99 CO 0.00 0.02 0.48 -0.62 -2.79 0.00 0.00 177.10 174.18