#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 1.28 -3.44 0.52 1.35 -1.97 -3.43 112.91 107.22 2aff h THR 4 Ca 0.00 -1.67 -0.60 0.00 -0.55 0.00 0.00 66.41 63.60 2aff h THR 4 Cb 0.00 1.55 -0.10 0.00 -1.73 0.00 0.00 68.15 67.87 2aff h THR 4 CO 0.00 0.55 0.04 -0.13 -0.25 0.00 0.00 175.52 175.72 2aff s ARG 5 N -4.22 4.20 -0.07 4.72 0.52 -1.26 -0.99 118.95 121.85 2aff s ARG 5 Ca -0.10 0.51 0.03 0.00 -0.52 0.00 0.00 55.73 55.64 2aff s ARG 5 Cb 0.11 -3.57 0.01 0.00 0.52 0.00 0.00 34.95 32.02 2aff s ARG 5 CO 0.88 -0.20 -0.14 1.03 0.02 0.00 0.00 175.30 176.90 2aff s ARG 6 N 1.78 1.83 -0.17 3.54 0.52 -0.86 -1.85 118.95 123.74 2aff s ARG 6 Ca 0.26 -0.47 -0.02 0.00 -0.52 0.00 0.00 55.73 54.98 2aff s ARG 6 Cb -0.16 -1.50 -0.01 0.00 0.52 0.00 0.00 34.95 33.81 2aff s ARG 6 CO 0.10 0.06 -0.09 -1.17 0.02 0.00 0.00 175.30 174.22 2aff s LEU 7 N 0.57 2.81 -0.15 2.53 2.96 -0.76 -2.06 118.68 124.58 2aff s LEU 7 Ca -0.14 -0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 53.36 2aff s LEU 7 Cb -0.16 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2aff s LEU 7 CO 0.04 0.08 0.04 0.68 -1.32 0.00 0.00 176.35 175.87 2aff s VAL 8 N 0.88 4.65 0.26 1.68 -7.23 -0.98 0.13 120.40 119.79 2aff s VAL 8 Ca -0.02 -0.10 -0.23 0.00 -1.81 0.00 0.00 61.98 59.82 2aff s VAL 8 Cb -0.15 -3.05 -0.09 0.00 0.56 0.00 0.00 36.38 33.65 2aff s VAL 8 CO 0.00 0.52 0.83 -0.89 -0.31 0.00 0.00 175.10 175.25 2aff s THR 9 N -0.09 4.38 -0.02 5.32 2.01 -0.96 -2.11 115.64 124.18 2aff s THR 9 Ca 0.06 1.58 0.06 0.00 0.31 0.00 0.00 61.69 63.70 2aff s THR 9 Cb -0.12 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 2aff s THR 9 CO 0.01 0.23 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.34 2aff s ILE 10 N -1.51 2.61 0.32 1.82 1.01 -0.42 -2.44 121.20 122.59 2aff s ILE 10 Ca 0.45 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 2aff s ILE 10 Cb -0.18 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 2aff s ILE 10 CO 0.23 0.54 0.57 -0.54 0.00 0.00 0.00 174.94 175.74 2aff s LYS 11 N -0.82 3.58 0.39 2.79 1.02 -0.48 -4.08 119.74 122.14 2aff s LYS 11 Ca 0.11 -0.06 0.26 0.00 0.02 0.00 0.00 55.97 56.30 2aff s LYS 11 Cb -0.10 -2.62 1.40 0.00 -0.52 0.00 0.00 37.83 35.98 2aff s LYS 11 CO 0.01 0.16 1.81 0.07 -0.92 0.00 0.00 175.35 176.47 2aff h ARG 12 N 1.30 0.00 0.00 1.68 -0.00 -1.90 0.52 114.38 115.98 2aff h ARG 12 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.50 2aff h ARG 12 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.17 2aff h ARG 12 CO 0.64 0.00 0.00 0.66 -0.00 0.00 0.00 179.97 181.27 2aff h SER 13 N 0.00 0.00 0.00 0.08 4.64 -1.92 -3.47 113.55 112.88 2aff h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2aff h SER 13 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2aff h SER 13 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2aff n GLY 14 N 0.80 0.93 3.53 -0.77 0.00 0.18 -5.09 105.19 104.78 2aff n GLY 14 Ca 0.03 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2aff n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aff s VAL 15 N -2.00 3.28 0.01 1.61 -7.23 -1.25 -4.86 120.40 109.95 2aff s VAL 15 Ca 0.00 -0.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.93 2aff s VAL 15 Cb 0.00 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 2aff s VAL 15 CO 0.00 0.38 0.97 -0.62 -0.31 0.00 0.00 175.10 175.52 2aff s ASP 16 N -1.41 7.38 0.00 4.85 -1.08 -1.26 -1.38 116.67 123.76 2aff s ASP 16 Ca 0.16 1.67 0.00 0.00 -0.52 0.00 0.00 52.55 53.86 2aff s ASP 16 Cb -0.11 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 2aff s ASP 16 CO 0.06 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.13 2aff n GLY 17 N 2.84 1.64 3.78 2.66 0.00 -1.02 -4.99 105.19 110.10 2aff n GLY 17 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 3.25 3.37 0.12 1.61 0.04 -1.26 -4.78 135.00 137.35 2aff s PRO 18 Ca 0.00 1.43 0.05 0.00 0.04 0.00 0.00 61.00 62.52 2aff s PRO 18 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2aff s PRO 18 CO 0.00 -0.80 0.03 -3.38 0.04 0.00 0.00 177.00 172.89 2aff s HIS 19 N -2.05 3.01 -0.40 0.56 -3.43 -1.26 -2.27 115.29 109.45 2aff s HIS 19 Ca 0.69 -0.03 0.04 0.00 -0.80 0.00 0.00 55.06 54.95 2aff s HIS 19 Cb -0.20 -1.51 0.11 0.00 -1.43 0.00 0.00 32.58 29.55 2aff s HIS 19 CO 0.29 0.50 0.11 0.12 -2.00 0.00 0.00 174.74 173.77 2aff s PHE 20 N -1.47 3.57 0.21 0.38 5.36 0.36 -4.95 117.98 121.45 2aff s PHE 20 Ca 0.27 -3.05 -0.30 0.00 -0.96 0.00 0.00 56.93 52.89 2aff s PHE 20 Cb -0.11 -2.89 -0.08 0.00 -0.34 0.00 0.00 43.02 39.60 2aff s PHE 20 CO 0.20 -0.88 1.09 -1.25 -1.46 0.00 0.00 175.22 172.91 2aff s PRO 21 N 0.54 4.63 -0.27 10.12 0.04 -1.26 -1.83 135.00 146.96 2aff s PRO 21 Ca 0.13 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 2aff s PRO 21 Cb -0.21 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 2aff s PRO 21 CO -0.06 0.15 0.22 -0.51 0.04 0.00 0.00 177.00 176.84 2aff s LEU 22 N -0.72 4.04 0.00 -3.56 1.43 -0.77 -4.87 118.68 114.22 2aff s LEU 22 Ca 0.47 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 2aff s LEU 22 Cb -0.30 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.75 2aff s LEU 22 CO 0.36 -0.06 0.42 -1.54 0.23 0.00 0.00 176.35 175.77 2aff n SER 23 N 4.99 0.84 -4.76 2.29 3.41 -1.26 -4.43 113.62 114.70 2aff n SER 23 Ca -0.13 -0.97 -0.31 0.00 -0.26 0.00 0.00 58.87 57.20 2aff n SER 23 Cb 0.52 0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.08 3.76 0.54 1.04 1.43 -1.26 -5.00 118.68 119.10 2aff s LEU 24 Ca 0.00 -0.01 0.32 0.00 -1.03 0.00 0.00 54.13 53.41 2aff s LEU 24 Cb 0.00 -2.41 1.37 0.00 0.03 0.00 0.00 46.19 45.18 2aff s LEU 24 CO 0.00 0.19 1.99 0.77 0.23 0.00 0.00 176.35 179.53 2aff h SER 25 N 3.43 0.00 -3.58 2.29 4.64 -1.96 -3.43 113.55 114.95 2aff h SER 25 Ca -0.47 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.34 2aff h SER 25 Cb 1.17 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.93 2aff h SER 25 CO 0.65 0.05 -0.81 -0.89 -0.87 0.00 0.00 176.83 174.95 2aff s THR 26 N -3.73 1.13 -0.06 2.95 2.01 -1.26 -1.18 115.64 115.49 2aff s THR 26 Ca 0.00 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.51 2aff s THR 26 Cb 0.10 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.61 2aff s THR 26 CO 0.55 0.35 -0.05 0.00 -0.69 0.00 0.00 174.62 174.78 2aff s LEU 28 N 1.19 2.00 -0.10 0.00 2.96 -1.26 -0.75 118.68 122.71 2aff s LEU 28 Ca -0.06 -0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 2aff s LEU 28 Cb -0.14 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 2aff s LEU 28 CO -0.02 0.18 0.02 -0.36 -1.32 0.00 0.00 176.35 174.85 2aff s PHE 29 N 0.11 3.20 -5.00 5.38 0.40 0.14 0.24 117.98 122.45 2aff s PHE 29 Ca -0.09 0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.41 2aff s PHE 29 Cb -0.15 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.54 2aff s PHE 29 CO 0.05 0.43 0.00 0.41 0.70 0.00 0.00 175.22 176.80 2aff n GLY 30 N 2.37 -1.13 0.07 4.36 0.00 -0.66 -2.18 105.19 108.03 2aff n GLY 30 Ca -0.18 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 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 1.84 0.07 -6.44 1.61 3.08 -1.32 -2.91 114.38 110.32 2aff h ARG 31 Ca 0.00 -0.11 -0.59 0.00 0.07 0.00 0.00 59.98 59.35 2aff h ARG 31 Cb 0.00 0.04 0.16 0.00 0.08 0.00 0.00 29.97 30.25 2aff h ARG 31 CO 0.00 1.00 -0.40 0.41 -1.07 0.00 0.00 179.97 179.91 2aff n GLY 32 N 1.42 -1.50 0.22 0.04 0.00 -0.95 -4.83 105.19 99.59 2aff n GLY 32 Ca -0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 2aff n GLY 32 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2aff h ILE 33 N 0.47 1.25 0.00 -0.61 6.09 -1.91 -2.30 117.51 120.51 2aff h ILE 33 Ca -0.44 -0.97 0.00 0.00 -1.37 0.00 0.00 64.86 62.09 2aff h ILE 33 Cb 1.40 1.06 0.00 0.00 0.47 0.00 0.00 36.82 39.74 2aff h ILE 33 CO 0.49 0.33 0.03 -0.08 -3.07 0.00 0.00 178.15 175.85 2aff h GLU 34 N 0.57 0.00 -6.50 2.19 4.81 -1.97 -3.43 114.58 110.25 2aff h GLU 34 Ca 0.12 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.80 2aff h GLU 34 Cb 0.44 0.00 0.05 0.00 0.63 0.00 0.00 28.75 29.86 2aff h GLU 34 CO 0.02 0.00 1.00 0.00 -0.73 0.00 0.00 179.01 179.30 2aff h ASP 36 N 7.55 0.44 -3.76 0.00 3.32 -0.48 -3.36 116.42 120.13 2aff h ASP 36 Ca -0.46 -0.06 -0.67 0.00 0.02 0.00 0.00 57.03 55.87 2aff h ASP 36 Cb 1.23 -0.11 -0.37 0.00 0.22 0.00 0.00 39.33 40.31 2aff h ASP 36 CO 0.93 0.45 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.47 2aff s ILE 37 N -5.11 2.18 -0.17 0.35 -1.09 0.03 -4.95 121.20 112.43 2aff s ILE 37 Ca -0.07 -1.54 -0.10 0.00 -2.23 0.00 0.00 60.65 56.70 2aff s ILE 37 Cb 0.16 -2.24 -0.05 0.00 -1.58 0.00 0.00 42.46 38.76 2aff s ILE 37 CO 0.75 0.04 0.16 -0.13 -1.23 0.00 0.00 174.94 174.54 2aff s ARG 38 N 1.13 4.03 -0.08 2.79 0.52 -1.26 -1.66 118.95 124.43 2aff s ARG 38 Ca -0.07 -0.13 0.04 0.00 -0.52 0.00 0.00 55.73 55.05 2aff s ARG 38 Cb -0.19 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 31.91 2aff s ARG 38 CO -0.06 0.41 -0.21 0.42 0.02 0.00 0.00 175.30 175.88 2aff s ILE 39 N 0.04 1.77 -0.06 1.52 1.01 -1.10 -4.97 121.20 119.41 2aff s ILE 39 Ca 0.11 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2aff s ILE 39 Cb -0.12 -1.54 0.07 0.00 0.01 0.00 0.00 42.46 40.89 2aff s ILE 39 CO 0.01 0.50 1.37 0.00 0.00 0.00 0.00 174.94 176.81 2aff n GLN 40 N 3.42 1.16 -3.55 2.79 6.02 -1.26 -4.49 117.38 121.48 2aff n GLN 40 Ca -0.19 -0.36 -0.37 0.00 -0.01 0.00 0.00 57.00 56.07 2aff n GLN 40 Cb 0.53 -1.14 -0.07 0.00 1.02 0.00 0.00 30.24 30.58 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 -0.40 4.26 0.23 1.08 1.43 -1.26 -4.97 118.68 119.05 2aff s LEU 41 Ca 0.07 0.54 0.24 0.00 -1.03 0.00 0.00 54.13 53.95 2aff s LEU 41 Cb 0.06 -2.38 0.92 0.00 0.03 0.00 0.00 46.19 44.82 2aff s LEU 41 CO 0.01 0.12 1.73 -0.81 0.23 0.00 0.00 176.35 177.63 2aff n PRO 42 N 3.40 0.21 -0.18 1.29 -0.04 -1.26 -2.36 135.00 136.06 2aff n PRO 42 Ca -0.12 0.34 0.09 0.00 -0.04 0.00 0.00 63.50 63.77 2aff n PRO 42 Cb 0.52 -1.83 0.27 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.21 0.47 -3.90 0.52 0.24 -1.26 -4.86 118.33 107.33 2aff n VAL 43 Ca 0.03 -0.56 -0.36 0.00 -2.04 0.00 0.00 64.34 61.42 2aff n VAL 43 Cb 0.29 0.46 -0.08 0.00 -1.47 0.00 0.00 33.84 33.05 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 -1.53 5.22 0.93 3.34 1.01 -1.00 -4.84 120.40 123.53 2aff s VAL 44 Ca 0.33 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.31 2aff s VAL 44 Cb 0.18 -3.32 0.15 0.00 0.00 0.00 0.00 36.38 33.39 2aff s VAL 44 CO 0.25 0.52 1.10 -0.44 0.00 0.00 0.00 175.10 176.54 2aff s SER 45 N -0.25 3.25 0.26 3.32 0.01 -1.26 -4.63 113.70 114.41 2aff s SER 45 Ca 0.10 1.20 -0.05 0.00 1.31 0.00 0.00 55.95 58.51 2aff s SER 45 Cb -0.12 -1.86 0.31 0.00 0.21 0.00 0.00 66.02 64.57 2aff s SER 45 CO 0.01 -2.74 1.91 0.11 0.41 0.00 0.00 173.24 172.94 2aff h LYS 46 N -1.62 1.18 0.00 12.44 1.57 -1.94 -2.45 116.57 125.75 2aff h LYS 46 Ca -0.52 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 2aff h LYS 46 Cb 1.31 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2aff h LYS 46 CO 0.58 0.83 -1.18 1.04 -0.57 0.00 0.00 179.45 180.15 2aff n GLN 47 N -4.36 1.04 0.00 3.15 1.13 -1.26 -2.24 117.38 114.84 2aff n GLN 47 Ca 0.10 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 2aff n GLN 47 Cb 0.07 -1.13 0.00 0.00 0.11 0.00 0.00 30.24 29.28 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 -1.67 0.00 -4.10 1.08 -0.00 -1.16 -4.05 115.22 105.32 2aff n HIS 48 Ca -0.01 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.02 2aff n HIS 48 Cb 0.20 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.92 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 -0.02 1.68 -0.02 0.00 2.20 -0.70 0.23 119.74 123.12 2aff s LYS 50 Ca 0.01 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 54.95 2aff s LYS 50 Cb -0.03 -1.59 -0.01 0.00 -1.51 0.00 0.00 37.83 34.70 2aff s LYS 50 CO -0.00 0.40 -0.14 -1.50 -0.36 0.00 0.00 175.35 173.75 2aff s ILE 51 N -0.38 1.13 -0.05 5.43 2.07 0.07 0.49 121.20 129.96 2aff s ILE 51 Ca 0.06 -0.59 0.05 0.00 -1.41 0.00 0.00 60.65 58.76 2aff s ILE 51 Cb -0.08 -0.96 -0.02 0.00 0.13 0.00 0.00 42.46 41.53 2aff s ILE 51 CO -0.00 0.33 -0.20 -1.61 -1.91 0.00 0.00 174.94 171.54 2aff s GLU 52 N -0.16 2.49 -0.23 3.50 2.02 0.00 -2.04 118.70 124.28 2aff s GLU 52 Ca 0.02 -0.81 -0.08 0.00 0.02 0.00 0.00 54.97 54.11 2aff s GLU 52 Cb -0.07 -2.26 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 2aff s GLU 52 CO 0.00 0.51 0.10 0.42 0.02 0.00 0.00 175.26 176.31 2aff s ILE 53 N -0.45 4.80 -0.06 -1.63 -1.09 -0.33 -1.13 121.20 121.31 2aff s ILE 53 Ca 0.05 -0.02 0.04 0.00 -2.23 0.00 0.00 60.65 58.49 2aff s ILE 53 Cb -0.12 -3.22 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 2aff s ILE 53 CO 0.01 0.37 -0.17 -1.00 -1.23 0.00 0.00 174.94 172.92 2aff s HIS 54 N 1.12 1.84 0.54 3.97 3.76 0.19 -4.90 115.29 121.81 2aff s HIS 54 Ca 0.05 -0.64 0.48 0.00 -0.15 0.00 0.00 55.06 54.80 2aff s HIS 54 Cb -0.14 -1.27 1.69 0.00 1.11 0.00 0.00 32.58 33.98 2aff s HIS 54 CO 0.04 -0.27 1.54 0.39 -0.85 0.00 0.00 174.74 175.59 2aff n GLU 55 N 3.47 -0.00 0.00 1.40 1.02 -1.26 -0.09 120.64 125.18 2aff n GLU 55 Ca -0.20 1.08 -0.00 0.00 -0.02 0.00 0.00 57.16 58.02 2aff n GLU 55 Cb 0.52 -2.47 -0.00 0.00 -0.02 0.00 0.00 31.44 29.48 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2aff h GLN 56 N 0.00 -0.01 0.00 3.49 4.20 -2.02 -3.49 115.11 117.28 2aff h GLN 56 Ca 0.93 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.64 2aff h GLN 56 Cb 3.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 31.44 2aff h GLN 56 CO -0.05 -0.01 0.00 -0.85 -0.67 0.00 0.00 178.83 177.25 2aff n GLU 57 N -2.03 0.00 -5.27 1.46 0.28 0.87 -5.17 120.64 110.78 2aff n GLU 57 Ca -0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 2aff n GLU 57 Cb 0.00 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 32.71 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 -1.26 2.19 -0.22 -1.84 0.00 -1.26 -0.64 121.76 118.74 2aff s ALA 58 Ca 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 50.84 2aff s ALA 58 Cb 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 2aff s ALA 58 CO 0.00 0.48 -0.04 0.42 0.00 0.00 0.00 175.76 176.62 2aff s ILE 59 N -0.42 3.43 -0.22 0.00 -1.09 -0.29 0.22 121.20 122.83 2aff s ILE 59 Ca 0.04 -0.48 -0.12 0.00 -2.23 0.00 0.00 60.65 57.86 2aff s ILE 59 Cb -0.12 -2.56 -0.05 0.00 -1.58 0.00 0.00 42.46 38.16 2aff s ILE 59 CO 0.01 0.42 0.23 -0.22 -1.23 0.00 0.00 174.94 174.15 2aff s LEU 60 N 1.42 4.15 -0.08 2.97 2.96 -0.62 -0.82 118.68 128.65 2aff s LEU 60 Ca 0.05 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 2aff s LEU 60 Cb -0.14 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 2aff s LEU 60 CO -0.02 0.04 -0.12 -1.00 -1.32 0.00 0.00 176.35 173.93 2aff s HIS 61 N 1.00 2.79 -0.43 5.38 3.76 0.18 -2.28 115.29 125.70 2aff s HIS 61 Ca 0.11 -0.30 -0.18 0.00 -0.15 0.00 0.00 55.06 54.55 2aff s HIS 61 Cb -0.13 -1.73 0.02 0.00 1.11 0.00 0.00 32.58 31.85 2aff s HIS 61 CO 0.05 0.06 0.46 1.21 -0.85 0.00 0.00 174.74 175.67 2aff s ASN 62 N -0.33 6.21 0.00 1.40 3.84 -1.26 -1.71 114.94 123.09 2aff s ASN 62 Ca 0.03 -0.66 0.19 0.00 0.21 0.00 0.00 52.86 52.63 2aff s ASN 62 Cb -0.13 -2.23 -0.18 0.00 -0.55 0.00 0.00 41.25 38.16 2aff s ASN 62 CO 0.02 -0.61 0.82 0.49 -2.79 0.00 0.00 177.10 175.03 2aff n PHE 63 N 5.68 0.00 -2.67 0.43 3.01 -0.74 -4.86 117.46 118.30 2aff n PHE 63 Ca -0.07 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.97 2aff n PHE 63 Cb 0.47 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.91 2aff n PHE 63 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2aff s SER 64 N -2.70 6.21 0.06 4.37 0.15 0.14 -4.62 113.70 117.31 2aff s SER 64 Ca 0.08 -0.78 -0.12 0.00 0.70 0.00 0.00 55.95 55.83 2aff s SER 64 Cb 0.14 -2.50 -0.29 0.00 -1.71 0.00 0.00 66.02 61.66 2aff s SER 64 CO 0.74 -1.64 1.10 0.77 1.20 0.00 0.00 173.24 175.40 2aff h SER 65 N 9.80 0.75 -0.40 5.45 4.64 -1.90 -2.78 113.55 129.11 2aff h SER 65 Ca -0.23 -0.74 -0.04 0.00 -0.47 0.00 0.00 61.79 60.32 2aff h SER 65 Cb 1.05 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.89 2aff h SER 65 CO 1.25 1.56 0.11 0.74 -0.87 0.00 0.00 176.83 179.61 2aff h THR 66 N 0.19 1.22 -2.59 2.95 2.02 -1.99 -3.39 112.91 111.33 2aff h THR 66 Ca -0.19 -0.76 -0.58 0.00 0.77 0.00 0.00 66.41 65.65 2aff h THR 66 Cb 1.98 0.97 -0.39 0.00 -1.74 0.00 0.00 68.15 68.97 2aff h THR 66 CO 0.24 0.26 -0.85 0.20 0.37 0.00 0.00 175.52 175.74 2aff s ASN 67 N -5.98 2.93 0.48 4.18 0.01 -1.25 -5.13 114.94 110.19 2aff s ASN 67 Ca -0.13 -2.24 -0.22 0.00 -0.71 0.00 0.00 52.86 49.55 2aff s ASN 67 Cb 0.10 -0.43 -0.08 0.00 0.41 0.00 0.00 41.25 41.25 2aff s ASN 67 CO 0.77 -0.30 1.03 -2.65 -1.51 0.00 0.00 177.10 174.43 2aff n PRO 68 N 3.97 1.29 -2.57 -0.60 -0.02 -1.05 -4.72 135.00 131.30 2aff n PRO 68 Ca 0.13 0.47 -0.38 0.00 -2.02 0.00 0.00 63.50 61.70 2aff n PRO 68 Cb 0.37 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.35 3.74 -0.05 3.45 2.01 -1.26 -4.87 115.64 117.31 2aff s THR 69 Ca 0.67 1.48 -0.02 0.00 0.31 0.00 0.00 61.69 64.13 2aff s THR 69 Cb -0.50 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 2aff s THR 69 CO 0.54 0.15 0.08 -1.10 -0.69 0.00 0.00 174.62 173.60 2aff s GLN 70 N -2.08 3.14 -0.03 4.92 -0.21 -0.65 -1.43 119.66 123.33 2aff s GLN 70 Ca 0.52 -0.38 0.03 0.00 0.02 0.00 0.00 55.36 55.55 2aff s GLN 70 Cb -0.24 -2.92 0.00 0.00 1.00 0.00 0.00 33.01 30.84 2aff s GLN 70 CO 0.31 0.69 -0.10 0.54 -2.12 0.00 0.00 175.29 174.61 2aff s VAL 71 N -1.08 0.88 -1.10 1.09 0.11 0.66 0.17 120.40 121.12 2aff s VAL 71 Ca 0.19 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 2aff s VAL 71 Cb -0.12 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 2aff s VAL 71 CO 0.09 0.27 0.00 0.59 -3.33 0.00 0.00 175.10 172.72 2aff n ASN 72 N 3.30 -3.89 -0.57 3.54 3.02 -0.47 0.16 115.26 120.36 2aff n ASN 72 Ca -0.18 0.20 -0.05 0.00 -0.03 0.00 0.00 54.58 54.51 2aff n ASN 72 Cb 0.54 -3.33 -0.01 0.00 -0.61 0.00 0.00 39.78 36.37 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 -0.75 0.31 2.88 7.41 0.00 -1.26 -5.04 105.19 108.74 2aff n GLY 73 Ca -0.15 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 2aff n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aff s SER 74 N -2.80 0.03 0.26 1.61 0.01 0.42 -5.08 113.70 108.15 2aff s SER 74 Ca 0.00 -0.03 -0.30 0.00 1.31 0.00 0.00 55.95 56.94 2aff s SER 74 Cb 0.00 0.00 -0.10 0.00 0.21 0.00 0.00 66.02 66.14 2aff s SER 74 CO 0.00 -0.01 1.31 -0.69 0.41 0.00 0.00 173.24 174.26 2aff s VAL 75 N -0.08 2.97 -0.90 3.43 1.01 -1.26 0.24 120.40 125.82 2aff s VAL 75 Ca -0.01 0.88 -0.01 0.00 0.00 0.00 0.00 61.98 62.83 2aff s VAL 75 Cb -0.01 -3.56 0.22 0.00 0.00 0.00 0.00 36.38 33.04 2aff s VAL 75 CO -0.00 0.17 0.80 2.30 0.00 0.00 0.00 175.10 178.36 2aff n ILE 76 N 1.81 3.04 0.14 2.22 -5.35 -0.51 -4.86 119.36 115.85 2aff n ILE 76 Ca 0.03 -5.13 0.05 0.00 -0.27 0.00 0.00 62.75 57.44 2aff n ILE 76 Cb 0.42 -2.37 0.51 0.00 -1.74 0.00 0.00 39.64 36.46 2aff n ILE 76 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2aff h ASP 77 N 5.92 0.20 -2.26 7.28 3.32 -1.94 -3.42 116.42 125.51 2aff h ASP 77 Ca 0.17 -0.01 -0.58 0.00 0.02 0.00 0.00 57.03 56.63 2aff h ASP 77 Cb 0.80 -0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.19 2aff h ASP 77 CO 0.87 0.20 -0.68 -1.83 -1.72 0.00 0.00 179.24 176.08 2aff s GLU 78 N -5.11 2.13 0.48 3.56 4.04 -1.26 -4.89 118.70 117.65 2aff s GLU 78 Ca -0.06 -1.49 -0.24 0.00 0.04 0.00 0.00 54.97 53.22 2aff s GLU 78 Cb 0.17 -2.06 -0.07 0.00 0.02 0.00 0.00 34.13 32.18 2aff s GLU 78 CO 0.70 0.36 1.35 -1.25 -1.84 0.00 0.00 175.26 174.59 2aff s PRO 79 N -3.57 3.53 -0.01 -4.83 0.04 -1.26 -4.81 135.00 124.09 2aff s PRO 79 Ca 0.31 2.24 0.02 0.00 0.04 0.00 0.00 61.00 63.60 2aff s PRO 79 Cb -0.06 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.98 2aff s PRO 79 CO 0.18 -0.87 -0.06 0.08 0.04 0.00 0.00 177.00 176.37 2aff s VAL 80 N -1.29 0.50 0.23 -0.36 1.01 -0.96 -5.00 120.40 114.52 2aff s VAL 80 Ca 0.65 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 2aff s VAL 80 Cb -0.40 -0.44 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 2aff s VAL 80 CO 0.49 0.15 1.11 -0.13 0.00 0.00 0.00 175.10 176.73 2aff s ARG 81 N 0.04 4.60 0.05 2.72 0.52 -1.26 -1.59 118.95 124.04 2aff s ARG 81 Ca -0.00 1.78 -0.16 0.00 -0.52 0.00 0.00 55.73 56.83 2aff s ARG 81 Cb -0.05 -3.23 -0.06 0.00 0.52 0.00 0.00 34.95 32.13 2aff s ARG 81 CO -0.00 0.12 0.49 -0.51 0.02 0.00 0.00 175.30 175.41 2aff s LEU 82 N -0.85 4.47 0.12 2.53 1.43 0.13 -4.91 118.68 121.60 2aff s LEU 82 Ca 0.47 1.08 0.06 0.00 -1.03 0.00 0.00 54.13 54.71 2aff s LEU 82 Cb -0.31 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 2aff s LEU 82 CO 0.38 0.27 -0.14 -0.54 0.23 0.00 0.00 176.35 176.55 2aff s LYS 83 N -1.26 0.99 -0.20 1.70 1.02 -1.26 -4.07 119.74 116.66 2aff s LYS 83 Ca 0.28 -1.21 -0.35 0.00 0.02 0.00 0.00 55.97 54.71 2aff s LYS 83 Cb -0.17 -0.85 -0.12 0.00 -0.52 0.00 0.00 37.83 36.16 2aff s LYS 83 CO 0.17 0.16 1.95 1.58 -0.92 0.00 0.00 175.35 178.28 2aff n HIS 84 N 0.58 2.09 0.00 3.18 -0.00 -1.26 -0.62 115.22 119.20 2aff n HIS 84 Ca -0.16 0.16 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2aff n HIS 84 Cb 0.57 -2.60 0.00 0.00 -0.00 0.00 0.00 29.99 27.96 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 4.93 2.21 3.72 1.57 0.00 -0.96 -4.98 105.19 111.68 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 -1.52 6.51 -0.15 1.61 -1.08 0.21 -4.78 116.67 117.47 2aff s ASP 86 Ca 0.00 2.72 -0.05 0.00 -0.52 0.00 0.00 52.55 54.70 2aff s ASP 86 Cb 0.00 -2.60 -0.04 0.00 -1.46 0.00 0.00 42.92 38.83 2aff s ASP 86 CO 0.00 -0.88 0.03 -0.69 0.52 0.00 0.00 175.17 174.15 2aff s VAL 87 N 1.09 4.49 -0.19 1.11 1.01 -1.26 -2.20 120.40 124.44 2aff s VAL 87 Ca 0.71 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.46 2aff s VAL 87 Cb -0.46 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2aff s VAL 87 CO 0.32 0.52 0.08 -0.63 0.00 0.00 0.00 175.10 175.39 2aff s ILE 88 N -0.03 4.88 -0.11 2.22 1.01 -0.33 -1.36 121.20 127.47 2aff s ILE 88 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.73 2aff s ILE 88 Cb -0.13 -3.21 -0.00 0.00 0.01 0.00 0.00 42.46 39.13 2aff s ILE 88 CO 0.02 0.44 -0.22 -0.89 0.00 0.00 0.00 174.94 174.29 2aff s THR 89 N 0.52 2.22 -0.09 2.92 2.01 0.45 -0.10 115.64 123.58 2aff s THR 89 Ca 0.04 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.11 2aff s THR 89 Cb -0.13 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 2aff s THR 89 CO 0.01 0.55 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.69 2aff s ILE 90 N 0.44 2.76 0.00 1.82 1.01 1.10 -1.63 121.20 126.70 2aff s ILE 90 Ca -0.15 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.70 2aff s ILE 90 Cb -0.17 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.20 2aff s ILE 90 CO 0.06 0.56 0.00 -0.38 0.00 0.00 0.00 174.94 175.18 2aff n ILE 91 N 3.05 0.00 0.00 2.92 5.41 -1.26 0.45 119.36 129.93 2aff n ILE 91 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 2aff n ILE 91 Cb 0.52 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.45 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2aff n ASP 92 N 0.00 0.00 -4.11 4.38 2.03 -1.26 -4.98 116.55 112.61 2aff n ASP 92 Ca 0.00 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.08 2aff n ASP 92 Cb 0.00 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.25 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2aff s ARG 93 N -0.02 1.33 0.05 -0.67 0.52 1.58 -3.73 118.95 118.01 2aff s ARG 93 Ca 0.00 -0.52 -0.00 0.00 -0.52 0.00 0.00 55.73 54.69 2aff s ARG 93 Cb 0.00 -1.24 -0.03 0.00 0.52 0.00 0.00 34.95 34.20 2aff s ARG 93 CO 0.00 0.26 -0.04 -1.54 0.02 0.00 0.00 175.30 174.01 2aff s SER 94 N -0.15 0.52 -0.07 0.23 1.04 -1.26 0.35 113.70 114.37 2aff s SER 94 Ca 0.02 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.62 2aff s SER 94 Cb -0.08 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.21 2aff s SER 94 CO 0.00 -0.48 -0.09 -0.36 0.98 0.00 0.00 173.24 173.30 2aff s PHE 95 N -3.07 1.25 -0.05 5.02 0.40 0.86 -1.30 117.98 121.09 2aff s PHE 95 Ca 0.00 -0.48 -0.13 0.00 -0.60 0.00 0.00 56.93 55.72 2aff s PHE 95 Cb 0.02 -0.99 -0.05 0.00 0.51 0.00 0.00 43.02 42.51 2aff s PHE 95 CO -0.06 -0.31 0.34 1.03 0.70 0.00 0.00 175.22 176.92 2aff s ARG 96 N 1.01 3.89 -0.21 0.44 0.52 -0.89 -1.19 118.95 122.52 2aff s ARG 96 Ca -0.09 0.27 -0.14 0.00 -0.52 0.00 0.00 55.73 55.25 2aff s ARG 96 Cb -0.15 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 2aff s ARG 96 CO -0.00 0.62 0.29 -0.47 0.02 0.00 0.00 175.30 175.76 2aff s TYR 97 N -0.77 3.37 -0.15 -0.53 5.04 -0.93 -2.32 117.35 121.05 2aff s TYR 97 Ca 0.21 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.32 2aff s TYR 97 Cb -0.15 -2.40 0.02 0.00 0.35 0.00 0.00 41.96 39.78 2aff s TYR 97 CO 0.10 0.06 -0.14 -1.21 -1.34 0.00 0.00 175.55 173.03 2aff s GLU 98 N 1.06 2.24 -0.42 4.97 2.02 -0.88 -2.26 118.70 125.44 2aff s GLU 98 Ca 0.14 -0.55 -0.13 0.00 0.02 0.00 0.00 54.97 54.45 2aff s GLU 98 Cb -0.14 -2.09 0.05 0.00 0.10 0.00 0.00 34.13 32.05 2aff s GLU 98 CO 0.06 -0.25 0.29 1.21 0.02 0.00 0.00 175.26 176.59 2aff s ASN 99 N 1.50 5.91 0.00 -0.19 3.84 -1.26 -2.03 114.94 122.71 2aff s ASN 99 Ca 0.05 -1.16 0.00 0.00 0.21 0.00 0.00 52.86 51.96 2aff s ASN 99 Cb -0.13 -2.09 0.00 0.00 -0.55 0.00 0.00 41.25 38.48 2aff s ASN 99 CO -0.10 -0.50 0.00 1.21 -2.79 0.00 0.00 177.10 174.92