#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 0.73 -3.23 0.52 5.66 -1.26 -4.92 114.28 111.77 2aff n THR 4 Ca 0.00 -2.07 -0.39 0.00 -3.05 0.00 0.00 64.05 58.55 2aff n THR 4 Cb 0.00 1.16 -0.06 0.00 -1.55 0.00 0.00 70.33 69.88 2aff n THR 4 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2aff s ARG 5 N -2.19 4.26 -0.03 1.09 0.52 -1.25 -4.38 118.95 116.97 2aff s ARG 5 Ca 0.27 0.78 0.03 0.00 -0.52 0.00 0.00 55.73 56.28 2aff s ARG 5 Cb 0.34 -3.26 0.00 0.00 0.52 0.00 0.00 34.95 32.55 2aff s ARG 5 CO -0.08 0.58 -0.11 1.03 0.02 0.00 0.00 175.30 176.74 2aff s ARG 6 N -0.95 1.11 -0.07 3.54 0.52 0.20 -1.56 118.95 121.75 2aff s ARG 6 Ca 0.30 -0.37 0.02 0.00 -0.52 0.00 0.00 55.73 55.16 2aff s ARG 6 Cb -0.20 -1.02 -0.03 0.00 0.52 0.00 0.00 34.95 34.23 2aff s ARG 6 CO 0.19 0.15 -0.11 -0.51 0.02 0.00 0.00 175.30 175.05 2aff s LEU 7 N 0.11 2.93 -0.15 2.53 1.43 -0.82 -1.90 118.68 122.80 2aff s LEU 7 Ca -0.02 -0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 2aff s LEU 7 Cb -0.09 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 2aff s LEU 7 CO 0.01 0.33 -0.09 -0.69 0.23 0.00 0.00 176.35 176.14 2aff s VAL 8 N -0.65 3.34 0.16 -1.59 1.01 -1.00 -0.26 120.40 121.42 2aff s VAL 8 Ca 0.10 -0.55 -0.26 0.00 0.00 0.00 0.00 61.98 61.26 2aff s VAL 8 Cb -0.11 -2.44 -0.08 0.00 0.00 0.00 0.00 36.38 33.75 2aff s VAL 8 CO 0.01 0.50 0.82 0.42 0.00 0.00 0.00 175.10 176.85 2aff s THR 9 N 0.53 4.37 -0.14 3.92 -4.23 -0.56 -1.90 115.64 117.63 2aff s THR 9 Ca -0.06 1.79 -0.05 0.00 -1.18 0.00 0.00 61.69 62.19 2aff s THR 9 Cb -0.15 -4.18 -0.04 0.00 1.34 0.00 0.00 72.50 69.47 2aff s THR 9 CO 0.03 0.49 0.03 -0.63 -0.54 0.00 0.00 174.62 174.00 2aff s ILE 10 N -0.94 4.49 0.38 2.99 -1.09 -0.58 -2.23 121.20 124.22 2aff s ILE 10 Ca 0.38 -0.16 -0.11 0.00 -2.23 0.00 0.00 60.65 58.53 2aff s ILE 10 Cb -0.23 -2.96 -0.07 0.00 -1.58 0.00 0.00 42.46 37.62 2aff s ILE 10 CO 0.27 0.53 0.74 -0.54 -1.23 0.00 0.00 174.94 174.71 2aff s LYS 11 N -0.16 3.80 0.58 2.79 1.02 -0.59 -4.28 119.74 122.91 2aff s LYS 11 Ca 0.06 0.45 0.28 0.00 0.02 0.00 0.00 55.97 56.78 2aff s LYS 11 Cb -0.12 -2.43 1.66 0.00 -0.52 0.00 0.00 37.83 36.42 2aff s LYS 11 CO 0.02 0.03 2.12 0.00 -0.92 0.00 0.00 175.35 176.59 2aff h ARG 12 N 1.49 0.00 0.00 1.68 3.08 -1.90 0.71 114.38 119.45 2aff h ARG 12 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2aff h ARG 12 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2aff h ARG 12 CO 0.64 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.97 2aff n SER 13 N -3.85 0.08 -0.36 7.04 7.64 -1.26 -4.90 113.62 118.01 2aff n SER 13 Ca 0.01 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.40 2aff n SER 13 Cb 0.29 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 1.40 0.97 3.22 0.23 0.00 0.25 -5.08 105.19 106.18 2aff n GLY 14 Ca 0.07 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.72 2.01 -0.01 1.61 1.01 -1.24 -4.88 120.40 116.18 2aff s VAL 15 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 2aff s VAL 15 Cb 0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 2aff s VAL 15 CO 0.00 0.55 1.37 -0.62 0.00 0.00 0.00 175.10 176.40 2aff s ASP 16 N 0.25 6.88 0.00 3.32 -1.08 -1.26 -1.55 116.67 123.24 2aff s ASP 16 Ca -0.16 2.07 0.00 0.00 -0.52 0.00 0.00 52.55 53.94 2aff s ASP 16 Cb -0.17 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 2aff s ASP 16 CO 0.08 -0.70 0.00 0.61 0.52 0.00 0.00 175.17 175.68 2aff n GLY 17 N 3.60 1.90 3.78 2.66 0.00 -0.95 -4.98 105.19 111.20 2aff n GLY 17 Ca 0.13 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 3.09 4.08 -0.15 1.61 0.04 -1.26 -4.73 135.00 137.67 2aff s PRO 18 Ca 0.00 1.66 -0.03 0.00 0.04 0.00 0.00 61.00 62.68 2aff s PRO 18 Cb 0.00 -2.58 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 2aff s PRO 18 CO 0.00 -0.25 -0.06 -3.38 0.04 0.00 0.00 177.00 173.35 2aff s HIS 19 N -1.55 2.96 -0.51 0.56 -3.43 -1.26 -1.50 115.29 110.56 2aff s HIS 19 Ca 0.58 -0.44 -0.16 0.00 -0.80 0.00 0.00 55.06 54.24 2aff s HIS 19 Cb -0.26 -1.94 0.10 0.00 -1.43 0.00 0.00 32.58 29.06 2aff s HIS 19 CO 0.32 -0.12 0.45 0.12 -2.00 0.00 0.00 174.74 173.51 2aff s PHE 20 N 0.45 3.25 0.23 0.38 5.36 0.64 -4.91 117.98 123.38 2aff s PHE 20 Ca -0.05 -1.13 -0.30 0.00 -0.96 0.00 0.00 56.93 54.49 2aff s PHE 20 Cb -0.15 -3.51 -0.09 0.00 -0.34 0.00 0.00 43.02 38.94 2aff s PHE 20 CO 0.03 -0.92 1.00 -1.25 -1.46 0.00 0.00 175.22 172.62 2aff s PRO 21 N 1.62 4.77 -0.19 10.12 0.04 -1.26 -1.95 135.00 148.14 2aff s PRO 21 Ca 0.03 1.58 -0.09 0.00 0.04 0.00 0.00 61.00 62.57 2aff s PRO 21 Cb -0.27 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 30.95 2aff s PRO 21 CO 0.05 0.37 0.10 -0.51 0.04 0.00 0.00 177.00 177.06 2aff s LEU 22 N -1.06 4.07 0.00 -3.56 1.43 -0.60 -4.89 118.68 114.07 2aff s LEU 22 Ca 0.43 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 2aff s LEU 22 Cb -0.27 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 43.90 2aff s LEU 22 CO 0.34 0.18 0.21 -1.54 0.23 0.00 0.00 176.35 175.78 2aff n SER 23 N 3.48 0.03 -4.73 2.29 3.41 -1.26 -3.90 113.62 112.94 2aff n SER 23 Ca -0.16 -1.01 -0.29 0.00 -0.26 0.00 0.00 58.87 57.15 2aff n SER 23 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 2aff n SER 23 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2aff s LEU 24 N -0.01 3.62 0.56 1.04 1.43 -1.26 -4.89 118.68 119.17 2aff s LEU 24 Ca 0.00 -0.13 0.30 0.00 -1.03 0.00 0.00 54.13 53.27 2aff s LEU 24 Cb 0.00 -2.31 1.67 0.00 0.03 0.00 0.00 46.19 45.59 2aff s LEU 24 CO 0.00 0.15 2.16 0.28 0.23 0.00 0.00 176.35 179.17 2aff h SER 25 N 3.15 0.00 -3.75 2.29 0.02 -1.95 -3.42 113.55 109.88 2aff h SER 25 Ca -0.47 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.09 2aff h SER 25 Cb 1.17 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.40 2aff h SER 25 CO 0.62 0.06 -0.77 -0.89 -1.14 0.00 0.00 176.83 174.71 2aff s THR 26 N -4.32 0.60 -0.16 -2.27 2.01 -1.26 -0.73 115.64 109.50 2aff s THR 26 Ca -0.04 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2aff s THR 26 Cb 0.14 -0.55 0.03 0.00 0.01 0.00 0.00 72.50 72.13 2aff s THR 26 CO 0.55 0.20 -0.10 0.00 -0.69 0.00 0.00 174.62 174.58 2aff s LEU 28 N 1.52 2.58 -0.17 0.00 2.96 -1.26 -0.51 118.68 123.79 2aff s LEU 28 Ca 0.02 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 53.52 2aff s LEU 28 Cb -0.14 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 2aff s LEU 28 CO -0.09 0.19 0.00 -0.36 -1.32 0.00 0.00 176.35 174.77 2aff s PHE 29 N 0.21 3.09 -3.75 5.38 0.40 0.26 -0.14 117.98 123.43 2aff s PHE 29 Ca -0.10 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 2aff s PHE 29 Cb -0.16 -2.03 0.00 0.00 0.51 0.00 0.00 43.02 41.35 2aff s PHE 29 CO 0.06 -0.04 0.00 0.41 0.70 0.00 0.00 175.22 176.35 2aff n GLY 30 N 3.73 -2.05 0.13 4.36 0.00 -0.73 -2.67 105.19 107.96 2aff n GLY 30 Ca -0.17 -1.20 -0.06 0.00 0.00 0.00 0.00 46.02 44.59 2aff n GLY 30 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aff h ARG 31 N 0.00 0.14 -6.58 1.61 3.08 -1.48 -3.19 114.38 107.96 2aff h ARG 31 Ca 0.00 -0.14 -0.59 0.00 0.07 0.00 0.00 59.98 59.33 2aff h ARG 31 Cb 0.00 0.03 0.14 0.00 0.08 0.00 0.00 29.97 30.23 2aff h ARG 31 CO 0.00 0.84 -0.03 0.41 -1.07 0.00 0.00 179.97 180.13 2aff n GLY 32 N 0.64 -0.64 0.21 0.04 0.00 -1.10 -4.89 105.19 99.45 2aff n GLY 32 Ca -0.02 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 2aff n GLY 32 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2aff h ILE 33 N 1.12 1.25 -0.15 -0.61 1.08 -1.91 -2.26 117.51 116.02 2aff h ILE 33 Ca -0.44 -0.95 0.04 0.00 -0.39 0.00 0.00 64.86 63.13 2aff h ILE 33 Cb 1.36 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 36.20 2aff h ILE 33 CO 0.54 0.32 0.25 -0.08 -0.69 0.00 0.00 178.15 178.49 2aff h GLU 34 N 0.51 0.00 -6.40 2.37 4.81 -1.96 -3.42 114.58 110.48 2aff h GLU 34 Ca 0.12 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.74 2aff h GLU 34 Cb 0.43 0.00 0.04 0.00 0.63 0.00 0.00 28.75 29.85 2aff h GLU 34 CO 0.01 0.00 0.87 0.00 -0.73 0.00 0.00 179.01 179.16 2aff h ASP 36 N 6.88 0.37 -3.22 0.00 3.32 -0.80 -3.39 116.42 119.59 2aff h ASP 36 Ca -0.46 -0.03 -0.57 0.00 0.02 0.00 0.00 57.03 55.99 2aff h ASP 36 Cb 1.27 -0.09 -0.35 0.00 0.22 0.00 0.00 39.33 40.37 2aff h ASP 36 CO 0.90 0.34 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.30 2aff s ILE 37 N -5.22 1.36 -0.11 0.35 1.01 -0.13 -4.95 121.20 113.50 2aff s ILE 37 Ca -0.07 -0.53 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 2aff s ILE 37 Cb 0.17 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 2aff s ILE 37 CO 0.73 0.42 0.02 -0.13 0.00 0.00 0.00 174.94 175.97 2aff s ARG 38 N 1.29 3.22 -0.15 2.79 0.52 -1.26 -1.78 118.95 123.58 2aff s ARG 38 Ca -0.01 -0.39 0.01 0.00 -0.52 0.00 0.00 55.73 54.82 2aff s ARG 38 Cb -0.14 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.45 2aff s ARG 38 CO -0.05 0.61 -0.17 0.42 0.02 0.00 0.00 175.30 176.12 2aff s ILE 39 N -0.60 2.49 -0.07 1.52 1.01 -1.21 -4.97 121.20 119.37 2aff s ILE 39 Ca 0.10 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2aff s ILE 39 Cb -0.12 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.32 2aff s ILE 39 CO 0.02 0.53 0.55 0.00 0.00 0.00 0.00 174.94 176.04 2aff n GLN 40 N 3.99 0.57 -3.74 2.79 6.02 -1.26 -4.61 117.38 121.13 2aff n GLN 40 Ca -0.19 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.44 2aff n GLN 40 Cb 0.52 -1.22 -0.09 0.00 1.02 0.00 0.00 30.24 30.47 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 4.09 0.00 1.08 1.43 -1.26 -4.97 118.68 119.05 2aff s LEU 41 Ca 0.00 0.14 0.18 0.00 -1.03 0.00 0.00 54.13 53.42 2aff s LEU 41 Cb 0.00 -2.07 0.78 0.00 0.03 0.00 0.00 46.19 44.93 2aff s LEU 41 CO 0.00 0.12 1.56 -0.81 0.23 0.00 0.00 176.35 177.45 2aff n PRO 42 N 3.88 0.05 -0.28 1.29 -0.04 -1.26 -2.38 135.00 136.25 2aff n PRO 42 Ca -0.16 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.60 2aff n PRO 42 Cb 0.52 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.75 -3.38 0.52 0.24 -1.26 -4.90 118.33 108.84 2aff n VAL 43 Ca 0.05 -0.85 -0.38 0.00 -2.04 0.00 0.00 64.34 61.12 2aff n VAL 43 Cb 0.19 0.68 -0.06 0.00 -1.47 0.00 0.00 33.84 33.18 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 5.03 0.96 3.34 1.01 -1.00 -4.87 120.40 123.62 2aff s VAL 44 Ca 0.44 0.97 -0.12 0.00 0.00 0.00 0.00 61.98 63.26 2aff s VAL 44 Cb 0.24 -3.79 0.16 0.00 0.00 0.00 0.00 36.38 32.99 2aff s VAL 44 CO 0.32 0.47 1.09 -0.44 0.00 0.00 0.00 175.10 176.54 2aff s SER 45 N -0.38 2.94 0.20 3.32 0.01 -1.26 -4.54 113.70 113.98 2aff s SER 45 Ca 0.26 1.39 -0.11 0.00 1.31 0.00 0.00 55.95 58.80 2aff s SER 45 Cb -0.17 -2.06 0.12 0.00 0.21 0.00 0.00 66.02 64.13 2aff s SER 45 CO 0.13 -2.96 1.82 0.11 0.41 0.00 0.00 173.24 172.76 2aff h LYS 46 N -1.77 0.95 0.00 12.44 1.57 -1.95 -2.47 116.57 125.35 2aff h LYS 46 Ca -0.52 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.10 2aff h LYS 46 Cb 1.30 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 2aff h LYS 46 CO 0.55 0.69 -1.28 1.04 -0.57 0.00 0.00 179.45 179.88 2aff n GLN 47 N -4.53 2.28 0.00 3.15 1.13 -1.26 -2.70 117.38 115.45 2aff n GLN 47 Ca 0.06 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 2aff n GLN 47 Cb 0.07 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.31 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 -2.01 0.00 -4.24 1.08 -0.00 -1.20 -3.89 115.22 104.96 2aff n HIS 48 Ca -0.05 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 57.96 2aff n HIS 48 Cb 0.48 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.21 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 -0.12 1.41 -0.16 0.00 2.20 -0.03 -0.57 119.74 122.47 2aff s LYS 50 Ca 0.02 -0.31 -0.05 0.00 -0.36 0.00 0.00 55.97 55.28 2aff s LYS 50 Cb -0.03 -1.23 -0.03 0.00 -1.51 0.00 0.00 37.83 35.03 2aff s LYS 50 CO -0.00 -0.02 -0.01 0.42 -0.36 0.00 0.00 175.35 175.38 2aff s ILE 51 N 0.78 4.15 -0.18 5.43 1.01 0.33 0.93 121.20 133.64 2aff s ILE 51 Ca -0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 2aff s ILE 51 Cb -0.15 -2.83 -0.00 0.00 0.01 0.00 0.00 42.46 39.49 2aff s ILE 51 CO 0.02 0.49 -0.11 -1.61 0.00 0.00 0.00 174.94 173.73 2aff s GLU 52 N 0.30 3.29 -0.31 2.79 2.02 0.10 -1.97 118.70 124.90 2aff s GLU 52 Ca -0.01 -0.69 -0.10 0.00 0.02 0.00 0.00 54.97 54.18 2aff s GLU 52 Cb -0.14 -2.79 -0.01 0.00 0.10 0.00 0.00 34.13 31.30 2aff s GLU 52 CO 0.02 -0.07 0.17 0.42 0.02 0.00 0.00 175.26 175.82 2aff s ILE 53 N 1.08 4.81 -0.03 -1.63 1.01 0.09 -0.96 121.20 125.56 2aff s ILE 53 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.36 2aff s ILE 53 Cb -0.15 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 2aff s ILE 53 CO -0.03 0.06 -0.12 -1.00 0.00 0.00 0.00 174.94 173.86 2aff s HIS 54 N 1.65 2.75 0.60 3.97 3.76 0.18 -4.88 115.29 123.32 2aff s HIS 54 Ca 0.05 -0.12 0.31 0.00 -0.15 0.00 0.00 55.06 55.15 2aff s HIS 54 Cb -0.17 -1.62 1.07 0.00 1.11 0.00 0.00 32.58 32.97 2aff s HIS 54 CO 0.08 0.25 1.35 -1.91 -0.85 0.00 0.00 174.74 173.65 2aff n GLU 55 N 2.10 0.01 0.06 1.40 2.13 -1.26 0.29 120.64 125.37 2aff n GLU 55 Ca -0.17 1.03 -0.03 0.00 0.66 0.00 0.00 57.16 58.66 2aff n GLU 55 Cb 0.52 -2.54 -0.01 0.00 0.27 0.00 0.00 31.44 29.69 2aff n GLU 55 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2aff h GLN 56 N 0.00 -0.16 0.00 5.31 4.15 -2.01 -3.49 115.11 118.91 2aff h GLN 56 Ca 0.58 0.01 0.00 0.00 0.77 0.00 0.00 58.65 60.01 2aff h GLN 56 Cb 3.11 0.04 0.00 0.00 0.21 0.00 0.00 27.48 30.84 2aff h GLN 56 CO -0.01 -0.11 0.00 -1.91 -1.93 0.00 0.00 178.83 174.88 2aff n GLU 57 N -2.67 0.00 -4.14 1.69 4.07 0.14 -5.15 120.64 114.58 2aff n GLU 57 Ca -0.02 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.73 2aff n GLU 57 Cb 0.06 0.00 -0.12 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 -1.12 3.11 -0.10 4.31 0.00 -1.26 -0.65 121.76 126.05 2aff s ALA 58 Ca 0.00 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.10 2aff s ALA 58 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.36 2aff s ALA 58 CO 0.00 0.01 -0.23 0.42 0.00 0.00 0.00 175.76 175.96 2aff s ILE 59 N 0.71 2.03 -0.20 0.00 1.01 -0.14 0.11 121.20 124.72 2aff s ILE 59 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 2aff s ILE 59 Cb -0.14 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 2aff s ILE 59 CO 0.02 0.55 0.11 -0.22 0.00 0.00 0.00 174.94 175.41 2aff s LEU 60 N 0.38 4.03 -0.06 2.97 2.96 -0.48 0.00 118.68 128.49 2aff s LEU 60 Ca -0.18 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 2aff s LEU 60 Cb -0.18 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 2aff s LEU 60 CO 0.08 0.15 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.12 2aff s HIS 61 N 0.56 2.74 -0.43 5.38 3.76 0.26 -2.40 115.29 125.16 2aff s HIS 61 Ca 0.06 -0.21 -0.15 0.00 -0.15 0.00 0.00 55.06 54.62 2aff s HIS 61 Cb -0.12 -1.67 0.04 0.00 1.11 0.00 0.00 32.58 31.94 2aff s HIS 61 CO 0.00 0.14 0.33 1.21 -0.85 0.00 0.00 174.74 175.57 2aff s ASN 62 N -0.58 6.09 0.00 1.40 3.84 -1.26 -0.85 114.94 123.57 2aff s ASN 62 Ca 0.08 -1.06 0.22 0.00 0.21 0.00 0.00 52.86 52.32 2aff s ASN 62 Cb -0.11 -2.16 -0.06 0.00 -0.55 0.00 0.00 41.25 38.37 2aff s ASN 62 CO 0.01 -0.51 1.02 0.49 -2.79 0.00 0.00 177.10 175.32 2aff n PHE 63 N 5.16 0.00 -2.58 0.43 3.01 -0.35 -4.90 117.46 118.23 2aff n PHE 63 Ca -0.11 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.92 2aff n PHE 63 Cb 0.46 -0.05 -0.02 0.00 -0.01 0.00 0.00 39.48 39.86 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 -2.95 6.92 -0.01 4.37 1.04 -0.62 -4.65 113.70 117.80 2aff s SER 64 Ca 0.10 1.19 0.20 0.00 0.48 0.00 0.00 55.95 57.92 2aff s SER 64 Cb 0.17 -2.54 -0.26 0.00 0.10 0.00 0.00 66.02 63.48 2aff s SER 64 CO 0.81 -0.87 0.66 -1.54 0.98 0.00 0.00 173.24 173.28 2aff n SER 65 N 6.88 0.65 -0.03 7.02 3.41 -1.26 -3.82 113.62 126.47 2aff n SER 65 Ca 0.13 -0.52 -0.22 0.00 -0.26 0.00 0.00 58.87 58.00 2aff n SER 65 Cb 0.47 1.43 -0.13 0.00 -0.26 0.00 0.00 64.21 65.72 2aff n SER 65 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2aff h THR 66 N 0.00 0.85 -2.74 6.66 2.02 -1.99 -3.44 112.91 114.27 2aff h THR 66 Ca 0.00 -2.31 -0.56 0.00 0.77 0.00 0.00 66.41 64.31 2aff h THR 66 Cb 0.69 2.49 -0.40 0.00 -1.74 0.00 0.00 68.15 69.19 2aff h THR 66 CO 0.00 0.65 -0.80 0.20 0.37 0.00 0.00 175.52 175.93 2aff s ASN 67 N -6.98 3.35 0.58 4.18 0.01 -1.26 -5.14 114.94 109.69 2aff s ASN 67 Ca -0.24 -1.74 -0.19 0.00 -0.71 0.00 0.00 52.86 49.98 2aff s ASN 67 Cb 0.06 -0.44 -0.04 0.00 0.41 0.00 0.00 41.25 41.23 2aff s ASN 67 CO 0.71 -0.38 1.19 -2.16 -1.51 0.00 0.00 177.10 174.95 2aff s PRO 68 N 1.56 3.06 0.30 -0.60 0.04 -1.25 -4.75 135.00 133.37 2aff s PRO 68 Ca 0.13 1.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 2aff s PRO 68 Cb -0.19 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 2aff s PRO 68 CO -0.19 -1.12 1.16 0.99 0.04 0.00 0.00 177.00 177.88 2aff s THR 69 N -1.65 3.26 -0.09 1.26 2.01 -1.26 -4.90 115.64 114.27 2aff s THR 69 Ca 0.76 1.26 -0.04 0.00 0.31 0.00 0.00 61.69 63.98 2aff s THR 69 Cb -0.29 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2aff s THR 69 CO 0.32 0.29 0.08 -1.10 -0.69 0.00 0.00 174.62 173.52 2aff s GLN 70 N -1.60 3.21 -0.04 4.92 -0.21 -0.64 -1.80 119.66 123.51 2aff s GLN 70 Ca 0.46 -0.29 0.04 0.00 0.02 0.00 0.00 55.36 55.59 2aff s GLN 70 Cb -0.34 -2.99 -0.00 0.00 1.00 0.00 0.00 33.01 30.69 2aff s GLN 70 CO 0.44 0.73 -0.14 0.54 -2.12 0.00 0.00 175.29 174.74 2aff s VAL 71 N -1.00 1.17 -0.85 1.09 0.11 0.63 0.19 120.40 121.74 2aff s VAL 71 Ca 0.16 -0.57 -0.02 0.00 -2.93 0.00 0.00 61.98 58.62 2aff s VAL 71 Cb -0.12 -1.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.73 2aff s VAL 71 CO 0.05 0.35 0.09 0.59 -3.33 0.00 0.00 175.10 172.84 2aff n ASN 72 N 3.20 -3.15 -0.59 3.54 3.02 -0.01 0.23 115.26 121.50 2aff n ASN 72 Ca -0.18 0.15 -0.06 0.00 -0.03 0.00 0.00 54.58 54.46 2aff n ASN 72 Cb 0.53 -2.70 -0.02 0.00 -0.61 0.00 0.00 39.78 36.99 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 -0.79 0.51 2.95 7.41 0.00 -1.26 -5.03 105.19 108.97 2aff n GLY 73 Ca -0.09 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 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 0.58 0.34 1.61 0.15 0.62 -5.07 113.70 109.09 2aff s SER 74 Ca 0.00 -0.09 -0.28 0.00 0.70 0.00 0.00 55.95 56.28 2aff s SER 74 Cb 0.00 -0.08 -0.10 0.00 -1.71 0.00 0.00 66.02 64.14 2aff s SER 74 CO 0.00 0.05 1.27 -0.69 1.20 0.00 0.00 173.24 175.07 2aff s VAL 75 N -0.07 2.84 -0.83 4.45 1.01 -1.26 0.23 120.40 126.78 2aff s VAL 75 Ca 0.01 0.82 0.02 0.00 0.00 0.00 0.00 61.98 62.83 2aff s VAL 75 Cb -0.02 -3.51 0.27 0.00 0.00 0.00 0.00 36.38 33.11 2aff s VAL 75 CO -0.00 0.18 1.03 2.30 0.00 0.00 0.00 175.10 178.60 2aff n ILE 76 N 0.70 3.53 -0.09 2.22 -5.35 -0.74 -4.85 119.36 114.78 2aff n ILE 76 Ca 0.01 -5.48 0.16 0.00 -0.27 0.00 0.00 62.75 57.16 2aff n ILE 76 Cb 0.43 -2.11 0.56 0.00 -1.74 0.00 0.00 39.64 36.78 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 4.80 0.26 -2.04 7.28 3.58 -1.93 -3.41 116.42 124.96 2aff h ASP 77 Ca 0.20 0.01 -0.61 0.00 0.42 0.00 0.00 57.03 57.05 2aff h ASP 77 Cb 0.65 -0.04 -0.13 0.00 1.72 0.00 0.00 39.33 41.54 2aff h ASP 77 CO 1.03 0.14 -0.69 -1.83 -2.88 0.00 0.00 179.24 175.00 2aff s GLU 78 N -5.28 1.85 0.50 0.28 -1.05 -1.26 -4.86 118.70 108.88 2aff s GLU 78 Ca -0.07 -1.82 -0.23 0.00 -0.15 0.00 0.00 54.97 52.70 2aff s GLU 78 Cb 0.20 -1.79 -0.07 0.00 -0.44 0.00 0.00 34.13 32.03 2aff s GLU 78 CO 0.75 0.21 1.38 -2.30 0.95 0.00 0.00 175.26 176.25 2aff n PRO 79 N -0.77 1.93 -3.99 -4.83 -0.02 -1.26 -4.82 135.00 121.24 2aff n PRO 79 Ca -0.05 0.70 -0.14 0.00 -2.02 0.00 0.00 63.50 61.99 2aff n PRO 79 Cb 0.62 -2.58 -0.14 0.00 -0.02 0.00 0.00 33.50 31.38 2aff n PRO 79 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2aff s VAL 80 N -1.24 0.18 0.05 -1.45 -7.23 -1.01 -5.00 120.40 104.70 2aff s VAL 80 Ca 0.67 -0.07 -0.31 0.00 -1.81 0.00 0.00 61.98 60.46 2aff s VAL 80 Cb -0.44 -0.18 -0.06 0.00 0.56 0.00 0.00 36.38 36.27 2aff s VAL 80 CO 0.53 0.07 1.25 -0.13 -0.31 0.00 0.00 175.10 176.51 2aff s ARG 81 N 0.12 4.39 0.25 4.82 0.52 -1.26 -1.38 118.95 126.41 2aff s ARG 81 Ca -0.01 1.83 -0.28 0.00 -0.52 0.00 0.00 55.73 56.75 2aff s ARG 81 Cb -0.03 -3.37 -0.09 0.00 0.52 0.00 0.00 34.95 31.98 2aff s ARG 81 CO -0.00 -0.34 0.92 -0.51 0.02 0.00 0.00 175.30 175.39 2aff s LEU 82 N 1.31 4.56 0.08 2.53 1.43 0.30 -4.92 118.68 123.96 2aff s LEU 82 Ca 0.60 1.88 0.02 0.00 -1.03 0.00 0.00 54.13 55.60 2aff s LEU 82 Cb -0.30 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.19 2aff s LEU 82 CO 0.28 0.10 -0.07 -0.75 0.23 0.00 0.00 176.35 176.15 2aff s LYS 83 N -1.43 0.76 -0.07 1.70 2.20 -1.26 -4.39 119.74 117.24 2aff s LYS 83 Ca 0.43 -1.20 -0.32 0.00 -0.36 0.00 0.00 55.97 54.52 2aff s LYS 83 Cb -0.24 -0.21 -0.10 0.00 -1.51 0.00 0.00 37.83 35.78 2aff s LYS 83 CO 0.29 -0.01 1.97 1.58 -0.36 0.00 0.00 175.35 178.83 2aff n HIS 84 N 0.30 2.33 0.00 4.03 -0.00 -1.26 -0.87 115.22 119.74 2aff n HIS 84 Ca -0.15 -0.15 0.00 0.00 -0.00 0.00 0.00 57.72 57.42 2aff n HIS 84 Cb 0.59 -2.72 0.00 0.00 -0.00 0.00 0.00 29.99 27.86 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 4.73 0.79 3.69 1.57 0.00 -0.79 -5.02 105.19 110.16 2aff n GLY 85 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.86 7.02 -0.15 1.61 -1.08 -0.05 -4.84 116.67 117.32 2aff s ASP 86 Ca 0.00 1.85 -0.04 0.00 -0.52 0.00 0.00 52.55 53.84 2aff s ASP 86 Cb 0.00 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.87 2aff s ASP 86 CO 0.00 -0.61 -0.02 -0.69 0.52 0.00 0.00 175.17 174.37 2aff s VAL 87 N 2.33 4.07 -0.19 1.11 1.01 -1.26 -1.37 120.40 126.10 2aff s VAL 87 Ca 0.57 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 2aff s VAL 87 Cb -0.25 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 2aff s VAL 87 CO 0.22 0.50 0.15 -0.63 0.00 0.00 0.00 175.10 175.35 2aff s ILE 88 N 0.19 5.40 -0.15 2.22 1.01 -0.27 -0.83 121.20 128.76 2aff s ILE 88 Ca -0.01 0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.90 2aff s ILE 88 Cb -0.13 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.85 2aff s ILE 88 CO 0.02 0.44 -0.19 -0.89 0.00 0.00 0.00 174.94 174.33 2aff s THR 89 N 0.28 2.31 -0.17 2.92 2.01 0.50 0.35 115.64 123.84 2aff s THR 89 Ca 0.10 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 2aff s THR 89 Cb -0.11 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 2aff s THR 89 CO -0.01 0.53 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.72 2aff s ILE 90 N 0.86 3.05 0.00 1.82 1.01 0.82 -1.62 121.20 127.14 2aff s ILE 90 Ca -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2aff s ILE 90 Cb -0.15 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 39.99 2aff s ILE 90 CO -0.02 0.49 0.00 -0.38 0.00 0.00 0.00 174.94 175.03 2aff n ILE 91 N 4.18 0.00 -0.46 2.92 2.08 -1.26 0.32 119.36 127.13 2aff n ILE 91 Ca -0.19 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.18 2aff n ILE 91 Cb 0.52 0.00 0.12 0.00 -0.75 0.00 0.00 39.64 39.52 2aff n ILE 91 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2aff n ASP 92 N 2.29 2.65 -4.31 4.38 5.75 -1.26 -5.00 116.55 121.04 2aff n ASP 92 Ca 0.00 -2.42 -0.28 0.00 -0.01 0.00 0.00 54.79 52.08 2aff n ASP 92 Cb 0.00 -0.25 -0.14 0.00 -1.03 0.00 0.00 41.12 39.70 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 -1.75 1.57 0.06 0.11 0.52 0.95 -4.49 118.95 115.92 2aff s ARG 93 Ca 0.20 -1.08 0.01 0.00 -0.52 0.00 0.00 55.73 54.35 2aff s ARG 93 Cb 0.15 -1.76 -0.03 0.00 0.52 0.00 0.00 34.95 33.83 2aff s ARG 93 CO 0.06 0.45 -0.06 -1.12 0.02 0.00 0.00 175.30 174.65 2aff s SER 94 N -1.35 0.87 -0.13 0.23 0.01 -1.26 0.29 113.70 112.36 2aff s SER 94 Ca 0.10 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2aff s SER 94 Cb -0.10 0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.24 2aff s SER 94 CO 0.03 -0.36 -0.12 -0.36 0.41 0.00 0.00 173.24 172.84 2aff s PHE 95 N -2.53 1.87 0.08 2.43 0.40 0.15 -1.53 117.98 118.85 2aff s PHE 95 Ca -0.00 -1.00 -0.24 0.00 -0.60 0.00 0.00 56.93 55.09 2aff s PHE 95 Cb -0.02 -1.43 -0.06 0.00 0.51 0.00 0.00 43.02 42.01 2aff s PHE 95 CO -0.03 -0.59 0.73 1.03 0.70 0.00 0.00 175.22 177.07 2aff s ARG 96 N 1.51 4.47 -0.25 0.44 0.52 -0.80 -1.12 118.95 123.73 2aff s ARG 96 Ca 0.04 1.02 -0.12 0.00 -0.52 0.00 0.00 55.73 56.15 2aff s ARG 96 Cb -0.13 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 31.97 2aff s ARG 96 CO -0.09 0.40 0.25 -0.47 0.02 0.00 0.00 175.30 175.42 2aff s TYR 97 N -0.46 3.29 -0.04 -0.53 5.04 -0.47 -2.36 117.35 121.81 2aff s TYR 97 Ca 0.36 0.30 0.01 0.00 -2.44 0.00 0.00 57.07 55.30 2aff s TYR 97 Cb -0.21 -2.40 0.02 0.00 0.35 0.00 0.00 41.96 39.72 2aff s TYR 97 CO 0.23 -0.06 -0.04 -1.21 -1.34 0.00 0.00 175.55 173.13 2aff s GLU 98 N 1.48 0.77 0.27 4.97 2.02 -0.80 -1.89 118.70 125.52 2aff s GLU 98 Ca 0.11 -0.08 0.02 0.00 0.02 0.00 0.00 54.97 55.04 2aff s GLU 98 Cb -0.15 -0.80 -0.05 0.00 0.10 0.00 0.00 34.13 33.22 2aff s GLU 98 CO 0.08 -0.09 0.08 0.54 0.02 0.00 0.00 175.26 175.89 2aff s ASN 99 N 0.96 1.50 0.00 -0.19 2.20 -1.26 -0.62 114.94 117.52 2aff s ASN 99 Ca -0.11 -1.37 0.25 0.00 -0.94 0.00 0.00 52.86 50.69 2aff s ASN 99 Cb -0.14 0.10 0.41 0.00 -2.00 0.00 0.00 41.25 39.61 2aff s ASN 99 CO -0.00 -0.69 1.38 -0.62 -2.94 0.00 0.00 177.10 174.23