#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 1.55 -3.36 0.52 2.02 -1.94 -3.44 112.91 108.25 2aff h THR 4 Ca 0.00 -2.12 -0.57 0.00 0.77 0.00 0.00 66.41 64.50 2aff h THR 4 Cb 0.00 2.88 -0.07 0.00 -1.74 0.00 0.00 68.15 69.22 2aff h THR 4 CO 0.00 0.59 0.05 -0.13 0.37 0.00 0.00 175.52 176.40 2aff s ARG 5 N -2.93 4.38 -0.01 6.66 0.52 -1.25 -3.94 118.95 122.39 2aff s ARG 5 Ca -0.15 0.75 0.04 0.00 -0.52 0.00 0.00 55.73 55.85 2aff s ARG 5 Cb 0.01 -3.47 -0.01 0.00 0.52 0.00 0.00 34.95 32.00 2aff s ARG 5 CO 0.77 0.03 -0.14 1.03 0.02 0.00 0.00 175.30 177.01 2aff s ARG 6 N 0.96 1.12 -0.08 3.54 0.52 -0.31 -2.12 118.95 122.58 2aff s ARG 6 Ca 0.34 -0.52 0.03 0.00 -0.52 0.00 0.00 55.73 55.06 2aff s ARG 6 Cb -0.17 -1.08 -0.02 0.00 0.52 0.00 0.00 34.95 34.20 2aff s ARG 6 CO 0.15 0.30 -0.18 -1.17 0.02 0.00 0.00 175.30 174.42 2aff s LEU 7 N -0.38 2.49 -0.14 2.53 2.96 -0.79 -2.16 118.68 123.19 2aff s LEU 7 Ca 0.05 -0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2aff s LEU 7 Cb -0.06 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 2aff s LEU 7 CO -0.00 0.24 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.51 2aff s VAL 8 N -0.11 3.61 -0.32 1.68 1.01 -0.89 0.71 120.40 126.09 2aff s VAL 8 Ca -0.03 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 2aff s VAL 8 Cb -0.14 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 2aff s VAL 8 CO 0.04 0.51 0.47 -0.89 0.00 0.00 0.00 175.10 175.23 2aff s THR 9 N 0.25 5.07 0.30 3.92 2.01 -0.97 -1.84 115.64 124.38 2aff s THR 9 Ca -0.05 0.46 -0.27 0.00 0.31 0.00 0.00 61.69 62.14 2aff s THR 9 Cb -0.14 -3.87 -0.10 0.00 0.01 0.00 0.00 72.50 68.39 2aff s THR 9 CO 0.04 -0.08 0.94 -0.63 -0.69 0.00 0.00 174.62 174.20 2aff s ILE 10 N 2.28 4.20 0.39 1.82 1.01 -0.96 -0.99 121.20 128.94 2aff s ILE 10 Ca 0.18 1.86 -0.03 0.00 0.00 0.00 0.00 60.65 62.66 2aff s ILE 10 Cb -0.16 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 2aff s ILE 10 CO 0.12 0.21 0.64 -0.54 0.00 0.00 0.00 174.94 175.37 2aff s LYS 11 N -1.89 3.54 0.47 2.79 1.02 0.24 -4.60 119.74 121.31 2aff s LYS 11 Ca 0.48 -0.06 0.14 0.00 0.02 0.00 0.00 55.97 56.56 2aff s LYS 11 Cb -0.20 -2.55 1.12 0.00 -0.52 0.00 0.00 37.83 35.68 2aff s LYS 11 CO 0.25 0.03 2.06 0.00 -0.92 0.00 0.00 175.35 176.77 2aff h ARG 12 N 0.75 0.25 0.00 1.68 3.08 -1.87 0.22 114.38 118.48 2aff h ARG 12 Ca -0.48 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2aff h ARG 12 Cb 1.21 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2aff h ARG 12 CO 0.62 0.17 0.00 0.43 -1.07 0.00 0.00 179.97 180.12 2aff n SER 13 N -4.48 0.00 -0.07 7.04 7.64 -1.26 -4.88 113.62 117.62 2aff n SER 13 Ca 0.04 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2aff n SER 13 Cb 0.24 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 1.08 1.25 3.27 0.23 0.00 0.76 -5.09 105.19 106.69 2aff n GLY 14 Ca 0.06 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.13 2.13 0.04 1.61 1.01 -1.24 -4.85 120.40 116.96 2aff s VAL 15 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 2aff s VAL 15 Cb 0.00 -1.78 -0.08 0.00 0.00 0.00 0.00 36.38 34.52 2aff s VAL 15 CO 0.00 0.57 1.78 -0.62 0.00 0.00 0.00 175.10 176.83 2aff s ASP 16 N -0.06 6.54 0.00 3.32 -1.08 -1.26 -0.59 116.67 123.54 2aff s ASP 16 Ca -0.06 2.53 0.00 0.00 -0.52 0.00 0.00 52.55 54.50 2aff s ASP 16 Cb -0.15 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 2aff s ASP 16 CO 0.05 -0.97 0.00 0.61 0.52 0.00 0.00 175.17 175.38 2aff n GLY 17 N 4.23 2.96 3.78 2.66 0.00 -0.16 -4.91 105.19 113.74 2aff n GLY 17 Ca 0.18 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 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 4.96 2.86 0.03 1.61 0.04 -1.26 -4.68 135.00 138.56 2aff s PRO 18 Ca 0.00 1.32 0.02 0.00 0.04 0.00 0.00 61.00 62.39 2aff s PRO 18 Cb 0.00 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2aff s PRO 18 CO 0.00 -1.19 0.02 -3.38 0.04 0.00 0.00 177.00 172.49 2aff s HIS 19 N -2.43 3.10 -0.37 0.56 -3.43 -1.26 -2.30 115.29 109.16 2aff s HIS 19 Ca 0.66 0.07 -0.01 0.00 -0.80 0.00 0.00 55.06 54.98 2aff s HIS 19 Cb -0.19 -1.64 0.10 0.00 -1.43 0.00 0.00 32.58 29.42 2aff s HIS 19 CO 0.42 0.48 0.13 0.12 -2.00 0.00 0.00 174.74 173.90 2aff s PHE 20 N -1.20 3.58 0.11 0.38 5.36 0.22 -4.96 117.98 121.48 2aff s PHE 20 Ca 0.23 -2.48 -0.30 0.00 -0.96 0.00 0.00 56.93 53.42 2aff s PHE 20 Cb -0.12 -2.96 -0.07 0.00 -0.34 0.00 0.00 43.02 39.53 2aff s PHE 20 CO 0.14 -0.94 1.23 -1.25 -1.46 0.00 0.00 175.22 172.95 2aff s PRO 21 N 1.10 4.43 -0.56 10.12 0.04 -1.26 -1.88 135.00 146.99 2aff s PRO 21 Ca 0.07 1.86 -0.05 0.00 0.04 0.00 0.00 61.00 62.92 2aff s PRO 21 Cb -0.21 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 2aff s PRO 21 CO -0.05 -0.23 2.99 1.28 0.04 0.00 0.00 177.00 181.03 2aff n LEU 22 N 3.43 6.56 0.24 -3.56 4.77 -0.90 -4.51 117.00 123.03 2aff n LEU 22 Ca 0.08 -3.96 0.07 0.00 -0.03 0.00 0.00 56.01 52.17 2aff n LEU 22 Cb 0.45 -1.34 0.58 0.00 -2.33 0.00 0.00 43.42 40.78 2aff n LEU 22 CO 0.56 1.80 0.99 0.77 -1.33 0.00 0.00 177.39 180.18 2aff h SER 23 N 3.42 0.00 -3.83 -1.43 4.64 -1.91 -3.42 113.55 111.02 2aff h SER 23 Ca 0.42 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 61.26 2aff h SER 23 Cb 0.85 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 2aff h SER 23 CO 0.86 0.09 0.37 -0.76 -0.87 0.00 0.00 176.83 176.51 2aff s LEU 24 N -8.82 4.46 0.59 5.97 1.43 -1.26 -4.95 118.68 116.10 2aff s LEU 24 Ca -0.04 1.94 0.38 0.00 -1.03 0.00 0.00 54.13 55.37 2aff s LEU 24 Cb 0.16 -3.84 1.76 0.00 0.03 0.00 0.00 46.19 44.30 2aff s LEU 24 CO 0.68 -0.02 2.13 0.77 0.23 0.00 0.00 176.35 180.14 2aff h SER 25 N 3.54 0.00 -3.38 2.29 4.64 -1.91 -3.42 113.55 115.32 2aff h SER 25 Ca -0.46 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.31 2aff h SER 25 Cb 1.20 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.95 2aff h SER 25 CO 0.66 0.01 -0.83 -0.89 -0.87 0.00 0.00 176.83 174.91 2aff s THR 26 N -3.86 1.31 -0.21 2.95 2.01 -1.26 -1.58 115.64 115.00 2aff s THR 26 Ca -0.01 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.43 2aff s THR 26 Cb 0.11 -1.19 0.05 0.00 0.01 0.00 0.00 72.50 71.47 2aff s THR 26 CO 0.50 0.40 -0.10 0.00 -0.69 0.00 0.00 174.62 174.72 2aff s LEU 28 N 1.34 3.07 -0.08 0.00 2.96 -1.26 -0.65 118.68 124.06 2aff s LEU 28 Ca -0.03 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.61 2aff s LEU 28 Cb -0.17 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 2aff s LEU 28 CO -0.08 0.08 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.67 2aff s PHE 29 N 0.89 3.15 -2.40 5.38 0.40 0.38 0.30 117.98 126.09 2aff s PHE 29 Ca -0.00 0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.51 2aff s PHE 29 Cb -0.15 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.60 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 2.14 -0.54 0.07 4.36 0.00 -0.71 -2.31 105.19 108.19 2aff n GLY 30 Ca -0.19 -0.85 0.07 0.00 0.00 0.00 0.00 46.02 45.05 2aff n GLY 30 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2aff n ARG 31 N 0.00 2.38 -2.26 1.61 1.85 -0.78 -0.38 116.66 119.08 2aff n ARG 31 Ca 0.00 -0.15 -0.26 0.00 -1.00 0.00 0.00 57.85 56.43 2aff n ARG 31 Cb 0.00 -1.16 0.05 0.00 -1.05 0.00 0.00 32.46 30.30 2aff n ARG 31 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2aff s GLY 32 N -2.17 1.65 0.13 2.89 0.00 -1.26 -4.70 107.32 103.86 2aff s GLY 32 Ca 0.06 -0.78 -0.13 0.00 0.00 0.00 0.00 44.72 43.87 2aff s GLY 32 CO 0.52 -0.43 1.54 1.19 0.00 0.00 0.00 173.10 175.92 2aff h ILE 33 N -0.41 1.27 -0.38 0.90 6.09 -1.94 -2.66 117.51 120.37 2aff h ILE 33 Ca -0.45 -1.18 0.11 0.00 -1.37 0.00 0.00 64.86 61.97 2aff h ILE 33 Cb 1.28 1.19 -0.02 0.00 0.47 0.00 0.00 36.82 39.74 2aff h ILE 33 CO 0.61 0.40 0.43 -0.33 -3.07 0.00 0.00 178.15 176.18 2aff h GLU 34 N 0.61 0.00 -6.45 2.19 4.39 -1.94 -3.40 114.58 109.97 2aff h GLU 34 Ca 0.11 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.28 2aff h GLU 34 Cb 0.61 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.29 2aff h GLU 34 CO 0.04 0.00 1.08 0.00 -1.16 0.00 0.00 179.01 178.97 2aff h ASP 36 N 8.80 0.00 -3.20 0.00 3.32 0.44 -3.36 116.42 122.43 2aff h ASP 36 Ca -0.45 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.03 2aff h ASP 36 Cb 1.21 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.41 2aff h ASP 36 CO 0.94 0.00 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.01 2aff s ILE 37 N -4.97 1.35 -0.12 0.35 1.01 0.05 -4.94 121.20 113.94 2aff s ILE 37 Ca -0.05 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.05 2aff s ILE 37 Cb 0.17 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 2aff s ILE 37 CO 0.66 0.42 0.01 -0.60 0.00 0.00 0.00 174.94 175.42 2aff s ARG 38 N 1.35 3.34 -0.13 2.79 3.52 -1.26 -1.74 118.95 126.83 2aff s ARG 38 Ca 0.00 -0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.20 2aff s ARG 38 Cb -0.14 -2.91 -0.01 0.00 -1.56 0.00 0.00 34.95 30.33 2aff s ARG 38 CO -0.06 0.52 -0.16 0.42 -0.81 0.00 0.00 175.30 175.21 2aff s ILE 39 N -0.37 2.78 0.00 4.11 1.01 0.49 -4.98 121.20 124.25 2aff s ILE 39 Ca 0.07 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2aff s ILE 39 Cb -0.12 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.20 2aff s ILE 39 CO 0.02 0.53 0.81 0.00 0.00 0.00 0.00 174.94 176.30 2aff n GLN 40 N 3.63 0.70 -4.36 2.79 6.02 -1.26 -4.45 117.38 120.45 2aff n GLN 40 Ca -0.18 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.46 2aff n GLN 40 Cb 0.53 -1.15 -0.10 0.00 1.02 0.00 0.00 30.24 30.53 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 3.47 0.01 1.08 1.43 -1.26 -4.98 118.68 118.43 2aff s LEU 41 Ca 0.00 0.04 0.18 0.00 -1.03 0.00 0.00 54.13 53.33 2aff s LEU 41 Cb 0.00 -1.81 0.78 0.00 0.03 0.00 0.00 46.19 45.19 2aff s LEU 41 CO 0.00 0.29 1.59 -0.81 0.23 0.00 0.00 176.35 177.65 2aff n PRO 42 N 2.72 0.01 -0.22 1.29 -0.04 -1.26 -2.32 135.00 135.18 2aff n PRO 42 Ca -0.18 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 2aff n PRO 42 Cb 0.53 -1.51 0.26 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.52 0.57 -3.35 0.52 0.24 -1.26 -4.87 118.33 108.66 2aff n VAL 43 Ca 0.04 -0.72 -0.38 0.00 -2.04 0.00 0.00 64.34 61.25 2aff n VAL 43 Cb 0.22 0.70 -0.06 0.00 -1.47 0.00 0.00 33.84 33.22 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 -1.43 5.19 1.15 3.34 1.01 -0.98 -4.94 120.40 123.74 2aff s VAL 44 Ca 0.39 0.86 -0.15 0.00 0.00 0.00 0.00 61.98 63.08 2aff s VAL 44 Cb 0.22 -3.78 0.26 0.00 0.00 0.00 0.00 36.38 33.08 2aff s VAL 44 CO 0.30 0.30 1.06 -0.55 0.00 0.00 0.00 175.10 176.21 2aff s SER 45 N 0.74 1.30 0.13 3.32 0.15 -1.26 -4.31 113.70 113.77 2aff s SER 45 Ca 0.23 1.08 -0.14 0.00 0.70 0.00 0.00 55.95 57.82 2aff s SER 45 Cb -0.15 -1.65 -0.01 0.00 -1.71 0.00 0.00 66.02 62.51 2aff s SER 45 CO 0.09 -3.94 1.59 0.11 1.20 0.00 0.00 173.24 172.29 2aff h LYS 46 N -2.45 0.74 -0.00 5.44 1.57 -1.94 -2.07 116.57 117.87 2aff h LYS 46 Ca -0.53 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.02 2aff h LYS 46 Cb 1.33 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2aff h LYS 46 CO 0.47 0.80 -0.02 1.04 -0.57 0.00 0.00 179.45 181.18 2aff n GLN 47 N -4.43 3.21 0.00 3.15 6.02 -1.26 -4.13 117.38 119.93 2aff n GLN 47 Ca -0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 2aff n GLN 47 Cb 0.28 -0.76 0.00 0.00 1.02 0.00 0.00 30.24 30.78 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 -0.52 0.00 -4.74 1.08 -0.00 -1.15 -3.70 115.22 106.19 2aff n HIS 48 Ca 0.00 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.91 2aff n HIS 48 Cb 0.01 0.00 -0.17 0.00 -0.12 0.00 0.00 29.99 29.72 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 0.61 2.03 -0.08 0.00 2.20 -0.95 0.14 119.74 123.68 2aff s LYS 50 Ca -0.15 -0.51 0.03 0.00 -0.36 0.00 0.00 55.97 54.98 2aff s LYS 50 Cb -0.16 -1.66 -0.02 0.00 -1.51 0.00 0.00 37.83 34.48 2aff s LYS 50 CO 0.05 0.02 -0.18 0.42 -0.36 0.00 0.00 175.35 175.30 2aff s ILE 51 N 0.72 2.67 -0.20 5.43 1.01 0.18 0.45 121.20 131.45 2aff s ILE 51 Ca -0.13 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 2aff s ILE 51 Cb -0.16 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 2aff s ILE 51 CO 0.03 0.56 -0.06 -1.61 0.00 0.00 0.00 174.94 173.86 2aff s GLU 52 N -0.10 3.39 -0.32 2.79 2.02 -0.31 -2.13 118.70 124.04 2aff s GLU 52 Ca -0.03 -0.63 -0.11 0.00 0.02 0.00 0.00 54.97 54.22 2aff s GLU 52 Cb -0.14 -2.94 -0.02 0.00 0.10 0.00 0.00 34.13 31.13 2aff s GLU 52 CO 0.04 -0.11 0.19 0.42 0.02 0.00 0.00 175.26 175.82 2aff s ILE 53 N 1.23 5.01 -0.02 -1.63 1.01 -0.61 -1.57 121.20 124.61 2aff s ILE 53 Ca 0.03 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.50 2aff s ILE 53 Cb -0.14 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 2aff s ILE 53 CO -0.02 0.08 -0.14 -1.00 0.00 0.00 0.00 174.94 173.86 2aff s HIS 54 N 1.69 2.69 0.57 3.97 3.76 0.89 -4.90 115.29 123.95 2aff s HIS 54 Ca 0.06 -0.16 0.48 0.00 -0.15 0.00 0.00 55.06 55.28 2aff s HIS 54 Cb -0.17 -1.59 1.64 0.00 1.11 0.00 0.00 32.58 33.57 2aff s HIS 54 CO 0.09 0.22 1.54 0.93 -0.85 0.00 0.00 174.74 176.67 2aff h GLU 55 N 5.08 0.00 0.14 1.40 3.07 -2.02 0.62 114.58 122.87 2aff h GLU 55 Ca -0.47 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.38 2aff h GLU 55 Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2aff h GLU 55 CO 0.50 0.00 -0.07 0.37 -1.40 0.00 0.00 179.01 178.41 2aff h GLN 56 N 0.00 -0.18 0.00 2.33 4.15 -2.00 -3.49 115.11 115.92 2aff h GLN 56 Ca 0.88 0.01 0.00 0.00 0.77 0.00 0.00 58.65 60.32 2aff h GLN 56 Cb 3.68 0.04 0.00 0.00 0.21 0.00 0.00 27.48 31.41 2aff h GLN 56 CO -0.01 -0.12 0.00 -0.85 -1.93 0.00 0.00 178.83 175.92 2aff n GLU 57 N -2.64 0.00 -4.35 1.69 -0.00 0.22 -5.15 120.64 110.41 2aff n GLU 57 Ca -0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.16 56.80 2aff n GLU 57 Cb 0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 31.44 31.37 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2aff s ALA 58 N -1.02 2.73 -0.12 -1.84 0.00 -1.26 -0.08 121.76 120.16 2aff s ALA 58 Ca 0.00 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.96 2aff s ALA 58 Cb 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.66 2aff s ALA 58 CO 0.00 -0.06 -0.17 0.42 0.00 0.00 0.00 175.76 175.96 2aff s ILE 59 N 0.85 2.72 -0.18 0.00 1.01 -0.61 0.11 121.20 125.10 2aff s ILE 59 Ca -0.03 -0.78 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 2aff s ILE 59 Cb -0.15 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 2aff s ILE 59 CO 0.01 0.53 0.29 -0.22 0.00 0.00 0.00 174.94 175.56 2aff s LEU 60 N 0.39 4.22 -0.10 2.97 2.96 -0.57 -1.16 118.68 127.39 2aff s LEU 60 Ca -0.13 0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 54.25 2aff s LEU 60 Cb -0.16 -2.37 -0.02 0.00 0.50 0.00 0.00 46.19 44.13 2aff s LEU 60 CO 0.06 0.07 -0.09 -1.00 -1.32 0.00 0.00 176.35 174.07 2aff s HIS 61 N 0.66 2.89 -0.45 5.38 3.76 0.17 -2.37 115.29 125.33 2aff s HIS 61 Ca 0.16 -0.24 -0.15 0.00 -0.15 0.00 0.00 55.06 54.68 2aff s HIS 61 Cb -0.13 -1.79 0.06 0.00 1.11 0.00 0.00 32.58 31.83 2aff s HIS 61 CO 0.04 0.10 0.35 1.21 -0.85 0.00 0.00 174.74 175.59 2aff s ASN 62 N -0.25 6.09 0.00 1.40 2.47 -1.26 -2.25 114.94 121.14 2aff s ASN 62 Ca 0.03 -1.19 0.24 0.00 0.42 0.00 0.00 52.86 52.35 2aff s ASN 62 Cb -0.13 -2.16 0.14 0.00 -1.45 0.00 0.00 41.25 37.65 2aff s ASN 62 CO 0.03 -0.57 1.21 0.49 -3.72 0.00 0.00 177.10 174.54 2aff n PHE 63 N 5.17 0.00 -2.83 0.43 3.01 -0.99 -4.84 117.46 117.40 2aff n PHE 63 Ca -0.12 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.91 2aff n PHE 63 Cb 0.45 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.88 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 -2.14 6.17 0.21 4.37 0.01 -1.23 -4.72 113.70 116.36 2aff s SER 64 Ca 0.25 -0.95 0.26 0.00 1.31 0.00 0.00 55.95 56.82 2aff s SER 64 Cb 0.19 -2.43 0.69 0.00 0.21 0.00 0.00 66.02 64.68 2aff s SER 64 CO 0.38 -1.47 1.67 0.77 0.41 0.00 0.00 173.24 175.00 2aff h SER 65 N 9.60 0.00 0.27 2.44 4.64 -1.96 -3.00 113.55 125.54 2aff h SER 65 Ca -0.29 -0.04 -0.34 0.00 -0.47 0.00 0.00 61.79 60.66 2aff h SER 65 Cb 1.07 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 2aff h SER 65 CO 1.19 0.02 -1.91 0.41 -0.87 0.00 0.00 176.83 175.67 2aff n THR 66 N -2.29 1.69 -3.30 2.95 -1.04 -1.26 -4.80 114.28 106.24 2aff n THR 66 Ca 0.05 -0.72 -0.13 0.00 -2.04 0.00 0.00 64.05 61.21 2aff n THR 66 Cb 0.44 -1.40 -0.06 0.00 -1.82 0.00 0.00 70.33 67.49 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 -6.58 0.48 0.60 8.00 0.01 -1.23 -5.15 114.94 111.07 2aff s ASN 67 Ca -0.15 -1.52 -0.19 0.00 -0.71 0.00 0.00 52.86 50.28 2aff s ASN 67 Cb 0.07 0.87 -0.04 0.00 0.41 0.00 0.00 41.25 42.56 2aff s ASN 67 CO 0.79 -0.22 1.12 -2.65 -1.51 0.00 0.00 177.10 174.63 2aff n PRO 68 N 4.11 1.11 -2.35 -0.60 -0.02 -1.13 -4.70 135.00 131.42 2aff n PRO 68 Ca 0.13 0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 2aff n PRO 68 Cb 0.48 -2.33 -0.03 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 -1.43 3.32 0.02 3.45 2.01 -1.26 -4.70 115.64 117.05 2aff s THR 69 Ca 0.77 1.25 -0.08 0.00 0.31 0.00 0.00 61.69 63.94 2aff s THR 69 Cb -0.41 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 2aff s THR 69 CO 0.46 0.27 0.30 -1.10 -0.69 0.00 0.00 174.62 173.86 2aff s GLN 70 N -1.13 3.63 -0.04 4.92 -0.21 0.40 -0.91 119.66 126.33 2aff s GLN 70 Ca 0.48 -0.00 0.04 0.00 0.02 0.00 0.00 55.36 55.90 2aff s GLN 70 Cb -0.34 -3.06 -0.00 0.00 1.00 0.00 0.00 33.01 30.60 2aff s GLN 70 CO 0.42 0.63 -0.15 0.54 -2.12 0.00 0.00 175.29 174.62 2aff s VAL 71 N -1.31 1.24 -0.91 1.09 0.11 0.50 0.15 120.40 121.26 2aff s VAL 71 Ca 0.29 -0.61 -0.03 0.00 -2.93 0.00 0.00 61.98 58.70 2aff s VAL 71 Cb -0.13 -1.07 0.02 0.00 -1.53 0.00 0.00 36.38 33.67 2aff s VAL 71 CO 0.16 0.36 0.13 0.59 -3.33 0.00 0.00 175.10 173.01 2aff n ASN 72 N 3.16 -3.26 -0.49 3.54 5.03 -0.69 0.16 115.26 122.70 2aff n ASN 72 Ca -0.18 0.10 -0.05 0.00 0.87 0.00 0.00 54.58 55.32 2aff n ASN 72 Cb 0.53 -2.78 -0.01 0.00 -1.02 0.00 0.00 39.78 36.51 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 0.32 2.89 7.41 0.00 -1.26 -5.04 105.19 108.67 2aff n GLY 73 Ca -0.08 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.83 0.54 0.48 1.61 0.15 0.41 -5.10 113.70 108.97 2aff s SER 74 Ca 0.00 -0.07 -0.24 0.00 0.70 0.00 0.00 55.95 56.34 2aff s SER 74 Cb 0.00 -0.19 -0.07 0.00 -1.71 0.00 0.00 66.02 64.05 2aff s SER 74 CO 0.00 -0.02 1.41 0.54 1.20 0.00 0.00 173.24 176.37 2aff s VAL 75 N 0.48 2.07 -0.43 4.45 0.11 -1.26 0.19 120.40 126.00 2aff s VAL 75 Ca -0.05 0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 58.98 2aff s VAL 75 Cb -0.08 -3.03 0.09 0.00 -1.53 0.00 0.00 36.38 31.83 2aff s VAL 75 CO -0.01 0.01 0.27 -0.63 -3.33 0.00 0.00 175.10 171.41 2aff s ILE 76 N -1.23 4.04 0.16 7.04 1.01 -0.09 -4.79 121.20 127.34 2aff s ILE 76 Ca 0.64 -1.61 -0.12 0.00 0.00 0.00 0.00 60.65 59.56 2aff s ILE 76 Cb -0.43 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 38.52 2aff s ILE 76 CO 0.54 -0.60 1.65 0.44 0.00 0.00 0.00 174.94 176.97 2aff h ASP 77 N 8.35 0.84 -4.83 3.58 3.32 -1.94 -3.41 116.42 122.33 2aff h ASP 77 Ca -0.21 -0.25 -0.52 0.00 0.02 0.00 0.00 57.03 56.07 2aff h ASP 77 Cb 1.07 -0.22 -0.12 0.00 0.22 0.00 0.00 39.33 40.28 2aff h ASP 77 CO 0.77 0.87 -0.46 -0.62 -1.72 0.00 0.00 179.24 178.08 2aff n GLU 78 N -4.39 0.52 -1.68 3.56 1.02 -1.26 -5.00 120.64 113.41 2aff n GLU 78 Ca 0.02 -3.35 -0.43 0.00 -0.02 0.00 0.00 57.16 53.38 2aff n GLU 78 Cb 0.25 2.11 -0.01 0.00 -0.02 0.00 0.00 31.44 33.77 2aff n GLU 78 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2aff n PRO 79 N -0.81 2.07 -4.24 3.49 -0.02 -1.26 -4.80 135.00 129.43 2aff n PRO 79 Ca -0.01 0.73 -0.18 0.00 -2.02 0.00 0.00 63.50 62.02 2aff n PRO 79 Cb 0.60 -2.33 -0.15 0.00 -0.02 0.00 0.00 33.50 31.60 2aff n PRO 79 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2aff s VAL 80 N -0.70 0.55 0.18 -1.45 1.01 -1.00 -5.03 120.40 113.96 2aff s VAL 80 Ca 0.60 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 2aff s VAL 80 Cb -0.60 -0.50 -0.08 0.00 0.00 0.00 0.00 36.38 35.20 2aff s VAL 80 CO 0.57 0.18 1.16 -0.13 0.00 0.00 0.00 175.10 176.88 2aff s ARG 81 N 0.18 4.53 0.10 2.72 0.52 -1.26 -1.50 118.95 124.24 2aff s ARG 81 Ca -0.02 1.81 -0.25 0.00 -0.52 0.00 0.00 55.73 56.76 2aff s ARG 81 Cb -0.07 -3.25 -0.07 0.00 0.52 0.00 0.00 34.95 32.08 2aff s ARG 81 CO -0.00 -0.02 0.75 -0.51 0.02 0.00 0.00 175.30 175.54 2aff s LEU 82 N -0.33 4.52 0.10 2.53 1.43 0.30 -4.88 118.68 122.36 2aff s LEU 82 Ca 0.51 1.52 0.07 0.00 -1.03 0.00 0.00 54.13 55.21 2aff s LEU 82 Cb -0.31 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 2aff s LEU 82 CO 0.36 0.13 -0.18 -0.54 0.23 0.00 0.00 176.35 176.35 2aff s LYS 83 N -0.66 1.06 0.13 1.70 1.02 -1.26 -4.34 119.74 117.40 2aff s LYS 83 Ca 0.36 -1.15 -0.31 0.00 0.02 0.00 0.00 55.97 54.89 2aff s LYS 83 Cb -0.22 -1.21 -0.11 0.00 -0.52 0.00 0.00 37.83 35.78 2aff s LYS 83 CO 0.24 0.27 1.82 -1.58 -0.92 0.00 0.00 175.35 175.18 2aff s HIS 84 N -1.38 2.23 0.00 3.18 5.65 -1.26 -1.01 115.29 122.70 2aff s HIS 84 Ca 0.06 0.02 0.00 0.00 0.25 0.00 0.00 55.06 55.39 2aff s HIS 84 Cb -0.09 -4.17 0.00 0.00 -1.18 0.00 0.00 32.58 27.14 2aff s HIS 84 CO 0.04 -4.80 0.00 0.41 -0.65 0.00 0.00 174.74 169.74 2aff n GLY 85 N 4.20 2.62 3.73 1.59 0.00 -0.78 -5.01 105.19 111.54 2aff n GLY 85 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.37 7.04 -0.13 1.61 -1.08 -0.18 -4.81 116.67 117.75 2aff s ASP 86 Ca 0.00 2.19 -0.02 0.00 -0.52 0.00 0.00 52.55 54.20 2aff s ASP 86 Cb 0.00 -2.60 -0.03 0.00 -1.46 0.00 0.00 42.92 38.84 2aff s ASP 86 CO 0.00 -0.44 -0.04 -0.69 0.52 0.00 0.00 175.17 174.52 2aff s VAL 87 N 0.39 3.86 -0.11 1.11 1.01 -1.26 -2.10 120.40 123.29 2aff s VAL 87 Ca 0.56 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.99 2aff s VAL 87 Cb -0.32 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 2aff s VAL 87 CO 0.34 0.53 0.41 -0.63 0.00 0.00 0.00 175.10 175.75 2aff s ILE 88 N -0.04 5.20 -0.13 2.22 1.01 -0.49 -1.71 121.20 127.26 2aff s ILE 88 Ca 0.01 0.82 0.02 0.00 0.00 0.00 0.00 60.65 61.50 2aff s ILE 88 Cb -0.13 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.60 2aff s ILE 88 CO 0.03 0.38 -0.19 -0.89 0.00 0.00 0.00 174.94 174.27 2aff s THR 89 N 0.33 1.80 -0.08 2.92 2.01 0.40 0.04 115.64 123.06 2aff s THR 89 Ca 0.23 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.45 2aff s THR 89 Cb -0.15 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.74 2aff s THR 89 CO 0.09 0.50 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.68 2aff s ILE 90 N 0.96 2.42 -0.18 1.82 1.01 0.62 -0.45 121.20 127.40 2aff s ILE 90 Ca -0.05 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 2aff s ILE 90 Cb -0.15 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 2aff s ILE 90 CO -0.03 0.56 0.47 -0.38 0.00 0.00 0.00 174.94 175.56 2aff n ILE 91 N 3.13 0.00 0.00 2.92 5.41 -1.26 0.34 119.36 129.90 2aff n ILE 91 Ca -0.18 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2aff n ILE 91 Cb 0.52 -0.07 0.00 0.00 -0.71 0.00 0.00 39.64 39.39 2aff n ILE 91 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2aff n ASP 92 N 1.68 0.00 -4.09 4.38 8.00 -1.26 -5.02 116.55 120.25 2aff n ASP 92 Ca 0.12 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.41 2aff n ASP 92 Cb 0.01 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.96 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2aff s ARG 93 N -0.48 1.01 0.04 -1.24 0.52 1.05 -4.74 118.95 115.10 2aff s ARG 93 Ca 0.00 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 54.73 2aff s ARG 93 Cb 0.00 -0.98 -0.02 0.00 0.52 0.00 0.00 34.95 34.47 2aff s ARG 93 CO 0.00 0.26 -0.06 -1.54 0.02 0.00 0.00 175.30 173.99 2aff s SER 94 N -0.41 0.64 -0.09 0.23 1.04 -1.26 0.23 113.70 114.07 2aff s SER 94 Ca 0.04 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 55.91 2aff s SER 94 Cb -0.05 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.15 2aff s SER 94 CO -0.00 -0.26 -0.09 -0.36 0.98 0.00 0.00 173.24 173.51 2aff s PHE 95 N -1.58 1.44 -0.05 5.02 0.40 0.11 -2.27 117.98 121.05 2aff s PHE 95 Ca -0.11 -0.64 -0.30 0.00 -0.60 0.00 0.00 56.93 55.28 2aff s PHE 95 Cb -0.09 -1.15 -0.02 0.00 0.51 0.00 0.00 43.02 42.27 2aff s PHE 95 CO -0.01 -0.42 1.02 0.50 0.70 0.00 0.00 175.22 177.01 2aff s ARG 96 N 1.32 4.48 -0.17 0.44 3.52 -0.77 -1.40 118.95 126.38 2aff s ARG 96 Ca -0.02 1.44 -0.16 0.00 -0.13 0.00 0.00 55.73 56.86 2aff s ARG 96 Cb -0.14 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 2aff s ARG 96 CO -0.04 -0.20 0.39 -0.47 -0.81 0.00 0.00 175.30 174.17 2aff s TYR 97 N 1.53 3.43 -0.09 5.12 5.04 -0.89 -2.10 117.35 129.38 2aff s TYR 97 Ca 0.51 0.67 -0.03 0.00 -2.44 0.00 0.00 57.07 55.78 2aff s TYR 97 Cb -0.21 -2.48 0.05 0.00 0.35 0.00 0.00 41.96 39.67 2aff s TYR 97 CO 0.23 0.10 0.10 -1.21 -1.34 0.00 0.00 175.55 173.44 2aff s GLU 98 N 0.92 0.00 0.47 4.97 2.02 -0.92 -1.87 118.70 124.30 2aff s GLU 98 Ca 0.20 0.31 0.27 0.00 0.02 0.00 0.00 54.97 55.77 2aff s GLU 98 Cb -0.14 -0.81 1.01 0.00 0.10 0.00 0.00 34.13 34.29 2aff s GLU 98 CO 0.07 -0.43 1.86 -2.95 0.02 0.00 0.00 175.26 173.83 2aff h ASN 99 N 8.41 0.00 0.00 -0.19 7.08 -1.83 -0.81 115.58 128.24 2aff h ASN 99 Ca -0.13 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.09 2aff h ASN 99 Cb 1.13 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.37 2aff h ASN 99 CO 0.19 0.14 0.00 -0.62 -2.08 0.00 0.00 177.43 175.06