#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aff n THR 4 N 0.00 0.82 -3.33 0.52 -2.24 -1.26 -4.89 114.28 103.90 2aff n THR 4 Ca 0.00 -0.38 -0.39 0.00 -2.27 0.00 0.00 64.05 61.01 2aff n THR 4 Cb 0.00 -0.91 -0.08 0.00 -2.10 0.00 0.00 70.33 67.23 2aff n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2aff s ARG 5 N -2.29 4.03 0.02 -0.78 3.03 -1.26 -1.79 118.95 119.91 2aff s ARG 5 Ca -0.15 0.14 0.03 0.00 2.03 0.00 0.00 55.73 57.78 2aff s ARG 5 Cb 0.05 -3.66 -0.01 0.00 -1.03 0.00 0.00 34.95 30.30 2aff s ARG 5 CO 0.38 -0.31 -0.09 1.03 -1.13 0.00 0.00 175.30 175.18 2aff s ARG 6 N 2.16 0.68 -0.16 3.89 0.52 -0.47 -2.16 118.95 123.42 2aff s ARG 6 Ca 0.17 -0.50 -0.02 0.00 -0.52 0.00 0.00 55.73 54.86 2aff s ARG 6 Cb -0.16 -0.62 -0.02 0.00 0.52 0.00 0.00 34.95 34.67 2aff s ARG 6 CO 0.10 0.16 -0.09 -0.51 0.02 0.00 0.00 175.30 174.98 2aff s LEU 7 N -0.72 2.89 -0.23 2.53 2.01 -0.84 -1.33 118.68 122.99 2aff s LEU 7 Ca -0.00 -0.29 -0.12 0.00 0.01 0.00 0.00 54.13 53.73 2aff s LEU 7 Cb -0.06 -1.68 -0.05 0.00 0.01 0.00 0.00 46.19 44.41 2aff s LEU 7 CO 0.00 0.12 0.21 -0.69 1.01 0.00 0.00 176.35 177.00 2aff s VAL 8 N 0.63 5.33 0.22 -1.59 1.01 -0.71 0.01 120.40 125.30 2aff s VAL 8 Ca -0.05 0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 2aff s VAL 8 Cb -0.15 -3.55 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 2aff s VAL 8 CO 0.03 0.34 1.04 -0.89 0.00 0.00 0.00 175.10 175.61 2aff s THR 9 N 1.03 3.87 -0.15 3.92 2.01 -0.97 -1.95 115.64 123.40 2aff s THR 9 Ca 0.10 1.76 -0.06 0.00 0.31 0.00 0.00 61.69 63.80 2aff s THR 9 Cb -0.13 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2aff s THR 9 CO 0.05 0.37 0.03 -0.63 -0.69 0.00 0.00 174.62 173.75 2aff s ILE 10 N -0.75 4.56 0.41 1.82 -1.09 -1.02 -1.95 121.20 123.18 2aff s ILE 10 Ca 0.45 -0.13 -0.07 0.00 -2.23 0.00 0.00 60.65 58.67 2aff s ILE 10 Cb -0.29 -3.01 -0.05 0.00 -1.58 0.00 0.00 42.46 37.53 2aff s ILE 10 CO 0.35 0.51 0.74 -0.54 -1.23 0.00 0.00 174.94 174.77 2aff s LYS 11 N 0.04 3.66 0.44 2.79 1.02 0.20 -4.54 119.74 123.36 2aff s LYS 11 Ca 0.04 0.28 0.18 0.00 0.02 0.00 0.00 55.97 56.49 2aff s LYS 11 Cb -0.12 -2.43 1.12 0.00 -0.52 0.00 0.00 37.83 35.87 2aff s LYS 11 CO 0.01 -0.05 1.92 0.00 -0.92 0.00 0.00 175.35 176.31 2aff h ARG 12 N 0.93 0.33 0.00 1.68 3.08 -1.87 1.12 114.38 119.65 2aff h ARG 12 Ca -0.47 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2aff h ARG 12 Cb 1.19 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2aff h ARG 12 CO 0.63 0.22 0.00 0.43 -1.07 0.00 0.00 179.97 180.18 2aff n SER 13 N -4.46 0.00 -0.16 7.04 7.64 -1.26 -4.87 113.62 117.55 2aff n SER 13 Ca 0.14 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2aff n SER 13 Cb 0.57 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 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 1.11 0.97 3.28 0.23 0.00 0.38 -5.08 105.19 106.09 2aff n GLY 14 Ca 0.14 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.32 2.20 0.22 1.61 1.01 -1.22 -4.80 120.40 117.10 2aff s VAL 15 Ca 0.00 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 2aff s VAL 15 Cb 0.00 -1.82 -0.08 0.00 0.00 0.00 0.00 36.38 34.48 2aff s VAL 15 CO 0.00 0.57 1.06 -1.81 0.00 0.00 0.00 175.10 174.92 2aff s ASP 16 N -0.11 7.35 0.00 3.32 1.01 -1.26 0.60 116.67 127.58 2aff s ASP 16 Ca -0.05 2.11 0.00 0.00 0.71 0.00 0.00 52.55 55.32 2aff s ASP 16 Cb -0.14 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.18 2aff s ASP 16 CO 0.04 -0.12 0.00 0.61 0.21 0.00 0.00 175.17 175.92 2aff n GLY 17 N 1.66 2.84 3.78 0.21 0.00 -0.82 -4.92 105.19 107.93 2aff n GLY 17 Ca 0.00 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 2.81 3.79 -0.15 1.61 0.04 -1.26 -4.73 135.00 137.12 2aff s PRO 18 Ca 0.00 1.57 -0.05 0.00 0.04 0.00 0.00 61.00 62.56 2aff s PRO 18 Cb 0.00 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 2aff s PRO 18 CO 0.00 -0.48 0.03 -1.01 0.04 0.00 0.00 177.00 175.58 2aff s HIS 19 N -1.73 3.20 -0.56 0.56 3.76 -1.26 -2.28 115.29 116.98 2aff s HIS 19 Ca 0.65 0.04 -0.11 0.00 -0.15 0.00 0.00 55.06 55.49 2aff s HIS 19 Cb -0.23 -1.98 0.14 0.00 1.11 0.00 0.00 32.58 31.63 2aff s HIS 19 CO 0.28 0.22 0.46 0.12 -0.85 0.00 0.00 174.74 174.96 2aff s PHE 20 N 0.00 3.44 0.07 1.40 5.36 0.10 -4.95 117.98 123.41 2aff s PHE 20 Ca 0.04 -1.83 -0.31 0.00 -0.96 0.00 0.00 56.93 53.87 2aff s PHE 20 Cb -0.13 -3.60 -0.07 0.00 -0.34 0.00 0.00 43.02 38.89 2aff s PHE 20 CO 0.01 -0.99 1.32 -1.25 -1.46 0.00 0.00 175.22 172.85 2aff s PRO 21 N 1.09 4.36 -0.89 10.12 0.04 -1.26 -1.99 135.00 146.47 2aff s PRO 21 Ca 0.08 1.93 -0.03 0.00 0.04 0.00 0.00 61.00 63.03 2aff s PRO 21 Cb -0.24 -3.34 0.26 0.00 0.04 0.00 0.00 34.50 31.21 2aff s PRO 21 CO -0.01 -0.39 2.17 1.28 0.04 0.00 0.00 177.00 180.08 2aff n LEU 22 N 4.20 7.35 0.26 -3.56 4.77 -0.92 -4.62 117.00 124.49 2aff n LEU 22 Ca 0.11 -4.85 0.18 0.00 -0.03 0.00 0.00 56.01 51.41 2aff n LEU 22 Cb 0.44 -1.17 0.91 0.00 -2.33 0.00 0.00 43.42 41.28 2aff n LEU 22 CO 0.57 1.88 1.03 0.77 -1.33 0.00 0.00 177.39 180.31 2aff h SER 23 N 3.55 0.00 -3.84 -1.43 4.64 -1.92 -3.41 113.55 111.13 2aff h SER 23 Ca 0.54 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.38 2aff h SER 23 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2aff h SER 23 CO 1.26 0.00 0.40 -0.76 -0.87 0.00 0.00 176.83 176.86 2aff s LEU 24 N -5.50 4.44 0.61 5.97 1.43 -1.26 -4.93 118.68 119.44 2aff s LEU 24 Ca -0.03 2.05 0.39 0.00 -1.03 0.00 0.00 54.13 55.51 2aff s LEU 24 Cb 0.10 -3.83 1.98 0.00 0.03 0.00 0.00 46.19 44.48 2aff s LEU 24 CO 0.35 -0.13 2.22 -1.28 0.23 0.00 0.00 176.35 177.75 2aff h SER 25 N 3.48 0.00 -3.66 2.29 0.87 -1.90 -3.42 113.55 111.21 2aff h SER 25 Ca -0.47 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 59.67 2aff h SER 25 Cb 1.21 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.85 2aff h SER 25 CO 0.66 0.02 -0.78 -0.89 -0.53 0.00 0.00 176.83 175.30 2aff s THR 26 N -4.04 0.70 -0.14 2.23 2.01 -1.26 -1.05 115.64 114.09 2aff s THR 26 Ca -0.03 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.69 2aff s THR 26 Cb 0.12 -0.66 0.03 0.00 0.01 0.00 0.00 72.50 72.00 2aff s THR 26 CO 0.48 0.24 -0.11 0.00 -0.69 0.00 0.00 174.62 174.53 2aff s LEU 28 N 1.56 2.56 -0.10 0.00 2.96 -1.26 -0.85 118.68 123.54 2aff s LEU 28 Ca 0.04 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.48 2aff s LEU 28 Cb -0.13 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 2aff s LEU 28 CO -0.10 0.10 0.06 -0.36 -1.32 0.00 0.00 176.35 174.74 2aff s PHE 29 N 0.70 3.34 -2.04 5.38 0.40 0.10 0.20 117.98 126.06 2aff s PHE 29 Ca -0.07 0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.59 2aff s PHE 29 Cb -0.15 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.52 2aff s PHE 29 CO 0.02 0.57 0.00 0.41 0.70 0.00 0.00 175.22 176.92 2aff n GLY 30 N 2.09 -1.40 0.12 4.36 0.00 -0.91 -2.47 105.19 106.98 2aff n GLY 30 Ca -0.19 -1.01 0.10 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.07 0.37 -2.50 1.61 0.63 -0.06 -2.24 116.66 114.39 2aff n ARG 31 Ca 0.00 -0.24 -0.25 0.00 -0.92 0.00 0.00 57.85 56.44 2aff n ARG 31 Cb 0.00 -1.48 0.04 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 -2.85 1.67 0.16 5.14 0.00 -1.26 -4.84 107.32 105.35 2aff s GLY 32 Ca 0.10 -0.96 -0.12 0.00 0.00 0.00 0.00 44.72 43.75 2aff s GLY 32 CO 0.79 -0.66 1.67 1.19 0.00 0.00 0.00 173.10 176.08 2aff h ILE 33 N -0.14 1.25 -0.14 0.90 6.09 -1.93 -2.35 117.51 121.19 2aff h ILE 33 Ca -0.44 -0.90 0.04 0.00 -1.37 0.00 0.00 64.86 62.18 2aff h ILE 33 Cb 1.28 0.75 -0.01 0.00 0.47 0.00 0.00 36.82 39.32 2aff h ILE 33 CO 0.58 0.33 0.35 -0.33 -3.07 0.00 0.00 178.15 176.01 2aff h GLU 34 N 0.81 0.00 -6.43 2.19 5.08 -1.94 -3.41 114.58 110.88 2aff h GLU 34 Ca 0.18 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.00 2aff h GLU 34 Cb 0.36 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.62 2aff h GLU 34 CO 0.00 0.00 0.97 0.00 -1.00 0.00 0.00 179.01 178.99 2aff h ASP 36 N 8.29 0.07 -3.15 0.00 3.32 0.20 -3.37 116.42 121.80 2aff h ASP 36 Ca -0.42 -0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.02 2aff h ASP 36 Cb 1.20 -0.02 -0.35 0.00 0.22 0.00 0.00 39.33 40.37 2aff h ASP 36 CO 0.93 0.07 -0.84 -0.63 -1.72 0.00 0.00 179.24 177.05 2aff s ILE 37 N -5.10 1.63 -0.15 0.35 1.01 -0.42 -4.96 121.20 113.57 2aff s ILE 37 Ca -0.05 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 2aff s ILE 37 Cb 0.17 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 2aff s ILE 37 CO 0.68 0.47 0.06 -0.13 0.00 0.00 0.00 174.94 176.02 2aff s ARG 38 N 1.32 3.66 -0.12 2.79 0.52 -1.26 -2.13 118.95 123.73 2aff s ARG 38 Ca 0.02 -0.32 0.02 0.00 -0.52 0.00 0.00 55.73 54.92 2aff s ARG 38 Cb -0.13 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.22 2aff s ARG 38 CO -0.09 0.46 -0.18 0.42 0.02 0.00 0.00 175.30 175.93 2aff s ILE 39 N -0.16 2.58 -0.35 1.52 1.01 -0.95 -4.99 121.20 119.85 2aff s ILE 39 Ca 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.90 2aff s ILE 39 Cb -0.12 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.30 2aff s ILE 39 CO 0.01 0.54 0.54 0.00 0.00 0.00 0.00 174.94 176.03 2aff n GLN 40 N 3.64 0.66 -3.48 2.79 6.02 -1.26 -4.64 117.38 121.12 2aff n GLN 40 Ca -0.19 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.43 2aff n GLN 40 Cb 0.53 -1.23 -0.07 0.00 1.02 0.00 0.00 30.24 30.48 2aff n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2aff s LEU 41 N 0.00 4.19 0.00 1.08 1.43 -1.26 -4.95 118.68 119.17 2aff s LEU 41 Ca 0.00 0.48 0.18 0.00 -1.03 0.00 0.00 54.13 53.75 2aff s LEU 41 Cb 0.00 -2.42 0.82 0.00 0.03 0.00 0.00 46.19 44.62 2aff s LEU 41 CO 0.00 0.02 1.55 -0.81 0.23 0.00 0.00 176.35 177.33 2aff n PRO 42 N 4.05 0.12 -0.39 1.29 -0.04 -1.26 -2.29 135.00 136.48 2aff n PRO 42 Ca -0.10 0.16 0.10 0.00 -0.04 0.00 0.00 63.50 63.62 2aff n PRO 42 Cb 0.52 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.78 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 -1.40 1.05 -3.73 0.52 0.24 -1.26 -4.91 118.33 108.84 2aff n VAL 43 Ca 0.06 -0.93 -0.36 0.00 -2.04 0.00 0.00 64.34 61.07 2aff n VAL 43 Cb 0.17 0.37 -0.07 0.00 -1.47 0.00 0.00 33.84 32.85 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 -1.25 5.40 0.94 3.34 1.01 -0.97 -4.91 120.40 123.96 2aff s VAL 44 Ca 0.45 0.29 -0.13 0.00 0.00 0.00 0.00 61.98 62.60 2aff s VAL 44 Cb 0.25 -3.49 0.15 0.00 0.00 0.00 0.00 36.38 33.29 2aff s VAL 44 CO 0.29 0.49 1.14 -0.44 0.00 0.00 0.00 175.10 176.58 2aff s SER 45 N -0.11 3.28 0.18 3.32 0.01 -1.26 -4.31 113.70 114.80 2aff s SER 45 Ca 0.12 0.94 -0.11 0.00 1.31 0.00 0.00 55.95 58.21 2aff s SER 45 Cb -0.12 -1.48 0.08 0.00 0.21 0.00 0.00 66.02 64.70 2aff s SER 45 CO 0.02 -2.69 1.69 0.11 0.41 0.00 0.00 173.24 172.77 2aff h LYS 46 N -1.60 0.99 0.00 12.44 1.57 -1.94 -0.13 116.57 127.89 2aff h LYS 46 Ca -0.50 -0.24 -0.14 0.00 -1.87 0.00 0.00 60.65 57.90 2aff h LYS 46 Cb 1.33 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 2aff h LYS 46 CO 0.59 0.90 -1.67 1.04 -0.57 0.00 0.00 179.45 179.74 2aff n GLN 47 N -4.34 1.77 0.00 3.15 1.13 -1.26 -4.02 117.38 113.81 2aff n GLN 47 Ca 0.04 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2aff n GLN 47 Cb 0.24 -1.27 0.00 0.00 0.11 0.00 0.00 30.24 29.32 2aff n GLN 47 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2aff n HIS 48 N -2.26 0.00 -4.50 1.08 -0.00 -1.21 -4.07 115.22 104.26 2aff n HIS 48 Ca -0.13 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.36 2aff n HIS 48 Cb 0.70 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.53 2aff n HIS 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2aff s LYS 50 N 0.35 1.62 -0.09 0.00 2.20 -0.74 0.02 119.74 123.10 2aff s LYS 50 Ca -0.07 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.14 2aff s LYS 50 Cb -0.11 -1.36 -0.01 0.00 -1.51 0.00 0.00 37.83 34.83 2aff s LYS 50 CO 0.02 0.07 -0.19 0.42 -0.36 0.00 0.00 175.35 175.31 2aff s ILE 51 N 0.52 2.59 -0.15 5.43 1.01 -0.03 0.12 121.20 130.68 2aff s ILE 51 Ca -0.12 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2aff s ILE 51 Cb -0.14 -2.02 -0.00 0.00 0.01 0.00 0.00 42.46 40.30 2aff s ILE 51 CO 0.03 0.56 -0.14 -1.61 0.00 0.00 0.00 174.94 173.77 2aff s GLU 52 N 0.02 3.25 -0.33 2.79 2.02 -0.08 -2.02 118.70 124.35 2aff s GLU 52 Ca -0.07 -0.73 -0.10 0.00 0.02 0.00 0.00 54.97 54.09 2aff s GLU 52 Cb -0.15 -2.64 0.01 0.00 0.10 0.00 0.00 34.13 31.45 2aff s GLU 52 CO 0.05 0.04 0.16 0.42 0.02 0.00 0.00 175.26 175.95 2aff s ILE 53 N 0.77 4.49 -0.01 -1.63 1.01 -0.21 -1.26 121.20 124.35 2aff s ILE 53 Ca -0.06 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.01 2aff s ILE 53 Cb -0.15 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 2aff s ILE 53 CO 0.01 -0.03 -0.10 -1.00 0.00 0.00 0.00 174.94 173.82 2aff s HIS 54 N 1.57 2.82 0.58 3.97 3.76 -0.24 -4.89 115.29 122.86 2aff s HIS 54 Ca 0.03 -0.08 0.37 0.00 -0.15 0.00 0.00 55.06 55.24 2aff s HIS 54 Cb -0.18 -1.61 1.32 0.00 1.11 0.00 0.00 32.58 33.22 2aff s HIS 54 CO 0.06 0.32 1.46 1.49 -0.85 0.00 0.00 174.74 177.22 2aff h GLU 55 N 4.78 0.00 0.15 1.40 4.81 -2.02 0.21 114.58 123.91 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 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2aff h GLU 55 CO 0.52 0.00 -0.07 0.37 -0.73 0.00 0.00 179.01 179.10 2aff h GLN 56 N 0.00 -0.20 0.00 1.92 5.75 -2.01 -3.49 115.11 117.08 2aff h GLN 56 Ca 0.68 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 59.19 2aff h GLN 56 Cb 3.21 0.04 0.00 0.00 1.07 0.00 0.00 27.48 31.80 2aff h GLN 56 CO -0.01 -0.13 0.00 -1.91 -2.65 0.00 0.00 178.83 174.13 2aff n GLU 57 N -2.72 0.00 -3.97 1.69 4.07 0.72 -5.15 120.64 115.28 2aff n GLU 57 Ca -0.03 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.72 2aff n GLU 57 Cb 0.08 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.33 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2aff s ALA 58 N -1.09 3.00 -0.12 4.31 0.00 -1.26 -1.08 121.76 125.52 2aff s ALA 58 Ca 0.00 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.91 2aff s ALA 58 Cb 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 2aff s ALA 58 CO 0.00 -0.28 -0.14 0.42 0.00 0.00 0.00 175.76 175.76 2aff s ILE 59 N 1.24 2.97 -0.21 0.00 1.01 -0.39 0.13 121.20 125.96 2aff s ILE 59 Ca 0.03 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 2aff s ILE 59 Cb -0.15 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2aff s ILE 59 CO 0.01 0.54 0.09 -0.22 0.00 0.00 0.00 174.94 175.36 2aff s LEU 60 N 0.19 3.84 -0.09 2.97 2.96 0.05 -0.91 118.68 127.70 2aff s LEU 60 Ca -0.08 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 2aff s LEU 60 Cb -0.15 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 2aff s LEU 60 CO 0.05 0.12 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.12 2aff s HIS 61 N 0.73 2.91 -0.46 5.38 3.76 0.12 -1.84 115.29 125.89 2aff s HIS 61 Ca 0.05 -0.14 -0.17 0.00 -0.15 0.00 0.00 55.06 54.65 2aff s HIS 61 Cb -0.13 -1.77 0.05 0.00 1.11 0.00 0.00 32.58 31.84 2aff s HIS 61 CO 0.02 0.18 0.45 1.21 -0.85 0.00 0.00 174.74 175.74 2aff s ASN 62 N -0.43 6.17 0.00 1.40 3.84 -1.26 -1.80 114.94 122.86 2aff s ASN 62 Ca 0.06 -1.03 0.20 0.00 0.21 0.00 0.00 52.86 52.30 2aff s ASN 62 Cb -0.12 -2.21 -0.11 0.00 -0.55 0.00 0.00 41.25 38.26 2aff s ASN 62 CO 0.02 -0.66 0.94 0.49 -2.79 0.00 0.00 177.10 175.09 2aff n PHE 63 N 5.51 0.00 -2.27 0.43 3.01 -0.21 -4.87 117.46 119.06 2aff n PHE 63 Ca -0.10 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.97 2aff n PHE 63 Cb 0.45 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.89 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 -2.59 5.67 0.08 4.37 0.01 0.04 -4.53 113.70 116.76 2aff s SER 64 Ca 0.12 -0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.34 2aff s SER 64 Cb 0.16 -2.54 -0.25 0.00 0.21 0.00 0.00 66.02 63.60 2aff s SER 64 CO 0.67 -2.14 1.15 0.77 0.41 0.00 0.00 173.24 174.09 2aff h SER 65 N 12.65 0.20 -0.00 2.44 4.64 -1.90 -3.10 113.55 128.47 2aff h SER 65 Ca -0.25 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2aff h SER 65 Cb 1.11 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2aff h SER 65 CO 1.25 1.18 0.00 0.74 -0.87 0.00 0.00 176.83 179.13 2aff h THR 66 N 0.03 1.12 -2.55 2.95 2.02 -1.98 -3.41 112.91 111.09 2aff h THR 66 Ca -0.10 -0.35 -0.37 0.00 0.77 0.00 0.00 66.41 66.37 2aff h THR 66 Cb 1.88 1.35 -0.37 0.00 -1.74 0.00 0.00 68.15 69.28 2aff h THR 66 CO 0.16 0.09 -0.67 0.20 0.37 0.00 0.00 175.52 175.67 2aff s ASN 67 N -5.34 1.90 0.52 4.18 0.01 -1.25 -5.14 114.94 109.81 2aff s ASN 67 Ca -0.14 -0.55 -0.21 0.00 -0.71 0.00 0.00 52.86 51.25 2aff s ASN 67 Cb 0.05 0.22 -0.08 0.00 0.41 0.00 0.00 41.25 41.85 2aff s ASN 67 CO 0.66 -0.36 0.98 -2.65 -1.51 0.00 0.00 177.10 174.23 2aff n PRO 68 N 5.30 1.14 -2.50 -0.60 -0.02 -1.17 -4.69 135.00 132.45 2aff n PRO 68 Ca -0.05 0.42 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 2aff n PRO 68 Cb 0.48 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 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 -1.41 3.61 -0.10 3.45 2.01 -1.26 -4.85 115.64 117.09 2aff s THR 69 Ca 0.69 1.56 -0.05 0.00 0.31 0.00 0.00 61.69 64.21 2aff s THR 69 Cb -0.47 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.00 2aff s THR 69 CO 0.52 0.35 0.11 -1.10 -0.69 0.00 0.00 174.62 173.81 2aff s GLN 70 N -1.16 3.32 -0.04 4.92 -0.21 -0.22 -1.18 119.66 125.09 2aff s GLN 70 Ca 0.45 -0.22 0.02 0.00 0.02 0.00 0.00 55.36 55.63 2aff s GLN 70 Cb -0.31 -3.08 0.01 0.00 1.00 0.00 0.00 33.01 30.63 2aff s GLN 70 CO 0.39 0.75 -0.09 0.08 -2.12 0.00 0.00 175.29 174.30 2aff s VAL 71 N -1.02 0.82 -1.31 1.09 1.01 0.67 0.19 120.40 121.85 2aff s VAL 71 Ca 0.16 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 2aff s VAL 71 Cb -0.12 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.53 2aff s VAL 71 CO 0.05 0.27 0.24 0.59 0.00 0.00 0.00 175.10 176.25 2aff n ASN 72 N 3.57 -4.54 -0.92 3.32 3.02 -0.72 0.39 115.26 119.37 2aff n ASN 72 Ca -0.21 -0.07 -0.08 0.00 -0.03 0.00 0.00 54.58 54.18 2aff n ASN 72 Cb 0.53 -3.78 -0.01 0.00 -0.61 0.00 0.00 39.78 35.91 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 -1.06 0.12 3.08 7.41 0.00 -1.26 -5.03 105.19 108.44 2aff n GLY 73 Ca -0.12 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.65 -0.20 0.34 1.61 1.04 0.16 -5.09 113.70 108.91 2aff s SER 74 Ca 0.00 0.37 -0.29 0.00 0.48 0.00 0.00 55.95 56.51 2aff s SER 74 Cb 0.00 0.39 -0.10 0.00 0.10 0.00 0.00 66.02 66.41 2aff s SER 74 CO 0.00 -0.08 1.34 -0.69 0.98 0.00 0.00 173.24 174.79 2aff s VAL 75 N 0.04 2.61 -0.90 5.02 1.01 -1.26 0.24 120.40 127.16 2aff s VAL 75 Ca -0.01 0.61 -0.01 0.00 0.00 0.00 0.00 61.98 62.57 2aff s VAL 75 Cb -0.02 -3.39 0.23 0.00 0.00 0.00 0.00 36.38 33.21 2aff s VAL 75 CO 0.00 0.14 0.86 2.30 0.00 0.00 0.00 175.10 178.41 2aff n ILE 76 N 0.79 3.23 0.05 2.22 -5.35 -0.32 -4.84 119.36 115.14 2aff n ILE 76 Ca 0.00 -5.21 0.12 0.00 -0.27 0.00 0.00 62.75 57.38 2aff n ILE 76 Cb 0.41 -2.33 0.58 0.00 -1.74 0.00 0.00 39.64 36.56 2aff n ILE 76 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2aff h ASP 77 N 5.77 0.18 -1.71 7.28 3.58 -1.94 -3.42 116.42 126.16 2aff h ASP 77 Ca 0.17 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 57.01 2aff h ASP 77 Cb 0.78 -0.04 -0.12 0.00 1.72 0.00 0.00 39.33 41.67 2aff h ASP 77 CO 0.91 0.12 -0.60 -1.61 -2.88 0.00 0.00 179.24 175.18 2aff s GLU 78 N -5.21 1.99 0.43 0.28 2.02 -1.26 -4.89 118.70 112.05 2aff s GLU 78 Ca -0.06 -2.02 -0.26 0.00 0.02 0.00 0.00 54.97 52.65 2aff s GLU 78 Cb 0.18 -1.72 -0.09 0.00 0.10 0.00 0.00 34.13 32.60 2aff s GLU 78 CO 0.72 -0.02 1.42 -2.30 0.02 0.00 0.00 175.26 175.10 2aff n PRO 79 N -0.98 2.31 -4.14 0.39 -0.02 -1.26 -4.77 135.00 126.53 2aff n PRO 79 Ca -0.04 0.82 -0.17 0.00 -2.02 0.00 0.00 63.50 62.09 2aff n PRO 79 Cb 0.66 -2.60 -0.15 0.00 -0.02 0.00 0.00 33.50 31.38 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 -1.17 0.42 0.11 -1.45 1.01 -0.77 -4.98 120.40 113.56 2aff s VAL 80 Ca 0.59 -0.17 -0.31 0.00 0.00 0.00 0.00 61.98 62.10 2aff s VAL 80 Cb -0.47 -0.39 -0.07 0.00 0.00 0.00 0.00 36.38 35.45 2aff s VAL 80 CO 0.59 0.15 1.24 -0.13 0.00 0.00 0.00 175.10 176.95 2aff s ARG 81 N 0.23 4.43 0.15 2.72 0.52 -1.26 -0.77 118.95 124.97 2aff s ARG 81 Ca -0.02 1.87 -0.26 0.00 -0.52 0.00 0.00 55.73 56.79 2aff s ARG 81 Cb -0.06 -3.29 -0.08 0.00 0.52 0.00 0.00 34.95 32.04 2aff s ARG 81 CO -0.00 -0.24 0.81 -0.51 0.02 0.00 0.00 175.30 175.38 2aff s LEU 82 N 0.67 4.57 0.11 2.53 1.43 0.35 -4.90 118.68 123.43 2aff s LEU 82 Ca 0.58 1.67 0.05 0.00 -1.03 0.00 0.00 54.13 55.40 2aff s LEU 82 Cb -0.32 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 2aff s LEU 82 CO 0.32 0.15 -0.13 -0.54 0.23 0.00 0.00 176.35 176.38 2aff s LYS 83 N -0.86 0.95 -0.18 1.70 1.02 -1.26 -4.44 119.74 116.66 2aff s LYS 83 Ca 0.38 -1.19 -0.34 0.00 0.02 0.00 0.00 55.97 54.84 2aff s LYS 83 Cb -0.23 -0.77 -0.11 0.00 -0.52 0.00 0.00 37.83 36.20 2aff s LYS 83 CO 0.27 0.14 1.99 1.58 -0.92 0.00 0.00 175.35 178.41 2aff n HIS 84 N 0.61 2.10 0.00 3.18 -0.00 -1.26 0.17 115.22 120.02 2aff n HIS 84 Ca -0.16 0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 2aff n HIS 84 Cb 0.57 -2.63 0.00 0.00 -0.00 0.00 0.00 29.99 27.93 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 5.07 2.75 3.70 1.57 0.00 -0.90 -4.99 105.19 112.39 2aff n GLY 85 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.48 6.64 -0.11 1.61 -1.08 0.13 -4.80 116.67 117.57 2aff s ASP 86 Ca 0.00 2.48 -0.01 0.00 -0.52 0.00 0.00 52.55 54.49 2aff s ASP 86 Cb 0.00 -2.57 -0.03 0.00 -1.46 0.00 0.00 42.92 38.86 2aff s ASP 86 CO 0.00 -0.83 -0.06 -0.69 0.52 0.00 0.00 175.17 174.11 2aff s VAL 87 N 2.05 3.77 -0.19 1.11 1.01 -1.26 -1.96 120.40 124.92 2aff s VAL 87 Ca 0.71 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 2aff s VAL 87 Cb -0.40 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 2aff s VAL 87 CO 0.31 0.55 0.11 -0.63 0.00 0.00 0.00 175.10 175.44 2aff s ILE 88 N -0.18 5.25 -0.14 2.22 1.01 -0.43 -1.76 121.20 127.17 2aff s ILE 88 Ca 0.03 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.82 2aff s ILE 88 Cb -0.13 -3.39 0.02 0.00 0.01 0.00 0.00 42.46 38.97 2aff s ILE 88 CO 0.03 0.45 -0.18 -0.89 0.00 0.00 0.00 174.94 174.34 2aff s THR 89 N 0.34 1.80 -0.24 2.92 2.01 0.50 -0.17 115.64 122.79 2aff s THR 89 Ca 0.07 -0.80 -0.07 0.00 0.31 0.00 0.00 61.69 61.20 2aff s THR 89 Cb -0.11 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 2aff s THR 89 CO -0.01 0.50 0.05 -0.63 -0.69 0.00 0.00 174.62 173.83 2aff s ILE 90 N 1.10 4.17 0.00 1.82 1.01 1.02 -1.06 121.20 129.26 2aff s ILE 90 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.41 2aff s ILE 90 Cb -0.14 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.40 2aff s ILE 90 CO -0.06 0.37 0.00 -0.38 0.00 0.00 0.00 174.94 174.87 2aff n ILE 91 N 4.76 0.00 0.05 2.92 5.41 -1.26 0.38 119.36 131.62 2aff n ILE 91 Ca -0.17 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.59 2aff n ILE 91 Cb 0.51 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.46 2aff n ILE 91 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2aff n ASP 92 N 0.87 1.42 -4.46 4.38 5.75 -1.26 -5.00 116.55 118.26 2aff n ASP 92 Ca 0.00 -1.33 -0.33 0.00 -0.01 0.00 0.00 54.79 53.12 2aff n ASP 92 Cb 0.00 -0.01 -0.13 0.00 -1.03 0.00 0.00 41.12 39.95 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2aff s ARG 93 N -0.38 3.30 0.06 0.11 1.81 1.22 -4.81 118.95 120.26 2aff s ARG 93 Ca 0.03 -0.61 0.02 0.00 -1.72 0.00 0.00 55.73 53.45 2aff s ARG 93 Cb 0.02 -2.69 -0.03 0.00 -0.45 0.00 0.00 34.95 31.79 2aff s ARG 93 CO 0.02 0.33 -0.08 -1.12 -0.68 0.00 0.00 175.30 173.78 2aff s SER 94 N 0.07 0.96 -0.08 0.23 0.01 -1.26 0.34 113.70 113.96 2aff s SER 94 Ca -0.03 -0.66 0.01 0.00 1.31 0.00 0.00 55.95 56.58 2aff s SER 94 Cb -0.14 0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.15 2aff s SER 94 CO 0.04 -0.26 -0.10 -0.36 0.41 0.00 0.00 173.24 172.97 2aff s PHE 95 N -1.89 1.38 -0.02 2.43 0.08 0.75 -2.44 117.98 118.28 2aff s PHE 95 Ca -0.05 -0.57 -0.21 0.00 0.12 0.00 0.00 56.93 56.22 2aff s PHE 95 Cb -0.07 -1.08 -0.05 0.00 -0.57 0.00 0.00 43.02 41.25 2aff s PHE 95 CO -0.01 -0.35 0.63 0.50 -0.10 0.00 0.00 175.22 175.89 2aff s ARG 96 N 1.08 4.37 -0.19 0.44 3.52 -0.82 -1.31 118.95 126.03 2aff s ARG 96 Ca -0.07 0.78 -0.17 0.00 -0.13 0.00 0.00 55.73 56.14 2aff s ARG 96 Cb -0.14 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 2aff s ARG 96 CO -0.01 0.27 0.44 -0.47 -0.81 0.00 0.00 175.30 174.71 2aff s TYR 97 N 0.13 3.39 -0.08 5.12 5.04 -0.83 -1.74 117.35 128.39 2aff s TYR 97 Ca 0.33 0.69 0.03 0.00 -2.44 0.00 0.00 57.07 55.68 2aff s TYR 97 Cb -0.18 -2.56 0.00 0.00 0.35 0.00 0.00 41.96 39.57 2aff s TYR 97 CO 0.17 -0.00 -0.18 -2.00 -1.34 0.00 0.00 175.55 172.20 2aff s GLU 98 N 1.28 2.28 -0.64 4.97 2.12 -0.44 -2.11 118.70 126.16 2aff s GLU 98 Ca 0.21 -0.65 0.05 0.00 0.36 0.00 0.00 54.97 54.94 2aff s GLU 98 Cb -0.15 -1.81 0.16 0.00 0.26 0.00 0.00 34.13 32.58 2aff s GLU 98 CO 0.09 0.14 0.41 1.21 -0.54 0.00 0.00 175.26 176.56 2aff s ASN 99 N 0.41 4.59 0.00 -1.70 3.84 -1.26 -1.36 114.94 119.45 2aff s ASN 99 Ca -0.14 -3.55 0.00 0.00 0.21 0.00 0.00 52.86 49.38 2aff s ASN 99 Cb -0.16 -1.61 0.00 0.00 -0.55 0.00 0.00 41.25 38.93 2aff s ASN 99 CO 0.06 -0.14 0.00 -0.62 -2.79 0.00 0.00 177.10 173.61