#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 1.44 -3.07 3.45 2.02 -1.88 -3.45 112.91 111.42 2aff h THR 4 Ca 0.00 -1.77 -0.60 0.00 0.77 0.00 0.00 66.41 64.81 2aff h THR 4 Cb 0.00 2.39 -0.06 0.00 -1.74 0.00 0.00 68.15 68.75 2aff h THR 4 CO 0.00 0.50 -0.19 -0.13 0.37 0.00 0.00 175.52 176.08 2aff s ARG 5 N -3.56 4.00 0.00 6.66 0.52 -1.25 -4.24 118.95 121.08 2aff s ARG 5 Ca -0.14 0.43 0.03 0.00 -0.52 0.00 0.00 55.73 55.52 2aff s ARG 5 Cb 0.03 -3.25 -0.01 0.00 0.52 0.00 0.00 34.95 32.24 2aff s ARG 5 CO 0.77 0.61 -0.09 1.03 0.02 0.00 0.00 175.30 177.65 2aff s ARG 6 N -0.84 0.69 -0.04 3.54 0.52 -0.51 -1.94 118.95 120.36 2aff s ARG 6 Ca 0.24 -0.41 0.05 0.00 -0.52 0.00 0.00 55.73 55.10 2aff s ARG 6 Cb -0.17 -0.65 -0.02 0.00 0.52 0.00 0.00 34.95 34.63 2aff s ARG 6 CO 0.13 0.17 -0.19 -0.51 0.02 0.00 0.00 175.30 174.92 2aff s LEU 7 N -0.47 2.45 -0.13 2.53 1.43 -0.85 -2.15 118.68 121.50 2aff s LEU 7 Ca 0.02 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 2aff s LEU 7 Cb -0.05 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 2aff s LEU 7 CO -0.00 0.32 -0.07 -0.69 0.23 0.00 0.00 176.35 176.14 2aff s VAL 8 N -0.58 3.61 -0.32 -1.59 1.01 -1.00 -0.03 120.40 121.50 2aff s VAL 8 Ca 0.08 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 2aff s VAL 8 Cb -0.11 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 2aff s VAL 8 CO 0.01 0.53 0.58 -0.89 0.00 0.00 0.00 175.10 175.33 2aff s THR 9 N 0.05 4.97 0.21 3.92 2.01 -0.93 -2.10 115.64 123.78 2aff s THR 9 Ca -0.02 0.69 -0.23 0.00 0.31 0.00 0.00 61.69 62.44 2aff s THR 9 Cb -0.14 -3.97 -0.08 0.00 0.01 0.00 0.00 72.50 68.32 2aff s THR 9 CO 0.03 -0.15 0.78 -0.63 -0.69 0.00 0.00 174.62 173.97 2aff s ILE 10 N 2.52 4.42 0.26 1.82 1.01 -0.92 -2.42 121.20 127.90 2aff s ILE 10 Ca 0.23 1.55 -0.02 0.00 0.00 0.00 0.00 60.65 62.41 2aff s ILE 10 Cb -0.15 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 2aff s ILE 10 CO 0.12 0.34 0.48 -0.54 0.00 0.00 0.00 174.94 175.34 2aff s LYS 11 N -1.62 3.55 0.46 2.79 1.02 -0.25 -4.50 119.74 121.19 2aff s LYS 11 Ca 0.41 -0.23 0.13 0.00 0.02 0.00 0.00 55.97 56.30 2aff s LYS 11 Cb -0.20 -2.74 1.08 0.00 -0.52 0.00 0.00 37.83 35.46 2aff s LYS 11 CO 0.24 0.29 2.08 0.00 -0.92 0.00 0.00 175.35 177.03 2aff h ARG 12 N 1.62 0.27 0.00 1.68 3.08 -1.88 0.40 114.38 119.56 2aff h ARG 12 Ca -0.48 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 2aff h ARG 12 Cb 1.20 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 2aff h ARG 12 CO 0.66 0.18 -0.13 0.66 -1.07 0.00 0.00 179.97 180.27 2aff h SER 13 N 0.28 0.00 0.00 7.04 4.64 -1.94 -3.46 113.55 120.11 2aff h SER 13 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2aff h SER 13 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2aff h SER 13 CO -0.02 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 2aff n GLY 14 N 0.04 2.00 3.28 -0.77 0.00 0.14 -5.11 105.19 104.77 2aff n GLY 14 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 2.39 0.22 1.61 1.01 -1.24 -4.83 120.40 117.56 2aff s VAL 15 Ca 0.00 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 2aff s VAL 15 Cb 0.00 -1.94 -0.08 0.00 0.00 0.00 0.00 36.38 34.36 2aff s VAL 15 CO 0.00 0.55 1.00 -1.81 0.00 0.00 0.00 175.10 174.84 2aff s ASP 16 N 0.24 7.50 0.00 3.32 1.01 -1.26 -1.09 116.67 126.39 2aff s ASP 16 Ca -0.14 2.01 0.00 0.00 0.71 0.00 0.00 52.55 55.13 2aff s ASP 16 Cb -0.17 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.15 2aff s ASP 16 CO 0.07 0.01 0.00 0.61 0.21 0.00 0.00 175.17 176.08 2aff n GLY 17 N 1.61 2.89 3.78 0.21 0.00 -1.01 -4.96 105.19 107.71 2aff n GLY 17 Ca -0.01 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 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 2.38 3.58 0.03 1.61 0.04 -1.26 -4.77 135.00 136.60 2aff s PRO 18 Ca 0.00 1.55 0.06 0.00 0.04 0.00 0.00 61.00 62.65 2aff s PRO 18 Cb 0.00 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2aff s PRO 18 CO 0.00 -0.65 -0.14 -3.38 0.04 0.00 0.00 177.00 172.86 2aff s HIS 19 N -1.80 2.66 -0.45 0.56 -3.43 -1.26 -2.18 115.29 109.38 2aff s HIS 19 Ca 0.69 -0.19 -0.10 0.00 -0.80 0.00 0.00 55.06 54.66 2aff s HIS 19 Cb -0.22 -1.51 0.10 0.00 -1.43 0.00 0.00 32.58 29.51 2aff s HIS 19 CO 0.26 0.28 0.32 0.12 -2.00 0.00 0.00 174.74 173.72 2aff s PHE 20 N -0.94 3.36 0.08 0.38 5.36 0.96 -4.93 117.98 122.25 2aff s PHE 20 Ca 0.15 -1.60 -0.30 0.00 -0.96 0.00 0.00 56.93 54.22 2aff s PHE 20 Cb -0.11 -3.23 -0.05 0.00 -0.34 0.00 0.00 43.02 39.29 2aff s PHE 20 CO 0.06 -0.91 1.05 -1.25 -1.46 0.00 0.00 175.22 172.71 2aff s PRO 21 N 1.43 4.58 -1.30 10.12 0.04 -1.26 -2.01 135.00 146.60 2aff s PRO 21 Ca 0.04 1.57 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 2aff s PRO 21 Cb -0.25 -3.37 0.11 0.00 0.04 0.00 0.00 34.50 31.03 2aff s PRO 21 CO 0.01 0.01 1.75 1.28 0.04 0.00 0.00 177.00 180.09 2aff n LEU 22 N 3.25 5.65 0.05 -3.56 4.77 -0.82 -4.65 117.00 121.69 2aff n LEU 22 Ca 0.05 -4.25 0.14 0.00 -0.03 0.00 0.00 56.01 51.92 2aff n LEU 22 Cb 0.48 -1.65 0.52 0.00 -2.33 0.00 0.00 43.42 40.45 2aff n LEU 22 CO 0.53 0.70 0.93 -1.54 -1.33 0.00 0.00 177.39 176.68 2aff n SER 23 N 6.39 0.37 -4.84 -1.43 3.41 -1.26 -4.65 113.62 111.61 2aff n SER 23 Ca 0.44 0.54 -0.32 0.00 -0.26 0.00 0.00 58.87 59.26 2aff n SER 23 Cb 0.42 -0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 63.68 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 -3.70 4.09 0.30 1.04 1.43 -1.26 -4.99 118.68 115.59 2aff s LEU 24 Ca 0.12 0.20 0.25 0.00 -1.03 0.00 0.00 54.13 53.68 2aff s LEU 24 Cb 0.16 -2.49 1.06 0.00 0.03 0.00 0.00 46.19 44.95 2aff s LEU 24 CO 0.56 0.24 1.75 0.28 0.23 0.00 0.00 176.35 179.41 2aff h SER 25 N 3.78 0.00 -3.75 2.29 0.02 -1.91 -3.42 113.55 110.55 2aff h SER 25 Ca -0.48 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.04 2aff h SER 25 Cb 1.18 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.41 2aff h SER 25 CO 0.67 0.00 -0.79 -0.89 -1.14 0.00 0.00 176.83 174.68 2aff s THR 26 N -3.39 0.75 -0.14 -2.27 2.01 -1.26 -1.21 115.64 110.13 2aff s THR 26 Ca 0.03 -0.33 -0.00 0.00 0.31 0.00 0.00 61.69 61.70 2aff s THR 26 Cb 0.09 -0.68 0.03 0.00 0.01 0.00 0.00 72.50 71.94 2aff s THR 26 CO 0.39 0.24 -0.10 0.00 -0.69 0.00 0.00 174.62 174.46 2aff s LEU 28 N 1.60 2.29 -0.14 0.00 2.96 -1.26 0.25 118.68 124.37 2aff s LEU 28 Ca 0.04 -0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 53.35 2aff s LEU 28 Cb -0.13 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 2aff s LEU 28 CO -0.09 0.09 0.09 -0.36 -1.32 0.00 0.00 176.35 174.75 2aff s PHE 29 N 0.79 3.38 -5.00 5.38 0.40 0.18 -0.30 117.98 122.80 2aff s PHE 29 Ca -0.07 0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.56 2aff s PHE 29 Cb -0.16 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.40 2aff s PHE 29 CO -0.00 0.46 0.00 0.41 0.70 0.00 0.00 175.22 176.78 2aff n GLY 30 N 2.64 -1.93 0.19 4.36 0.00 -0.64 -2.41 105.19 107.39 2aff n GLY 30 Ca -0.18 -1.49 -0.05 0.00 0.00 0.00 0.00 46.02 44.30 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 1.53 0.31 -6.19 1.61 3.08 -1.27 -3.21 114.38 110.25 2aff h ARG 31 Ca 0.00 -0.19 -0.64 0.00 0.07 0.00 0.00 59.98 59.22 2aff h ARG 31 Cb 0.00 0.02 0.11 0.00 0.08 0.00 0.00 29.97 30.18 2aff h ARG 31 CO 0.00 0.77 -0.28 0.41 -1.07 0.00 0.00 179.97 179.80 2aff n GLY 32 N 0.13 -1.19 0.26 0.04 0.00 -0.98 -4.82 105.19 98.64 2aff n GLY 32 Ca -0.02 0.32 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 1.36 1.26 0.00 -0.61 6.09 -1.90 -1.50 117.51 122.21 2aff h ILE 33 Ca -0.33 -1.00 0.00 0.00 -1.37 0.00 0.00 64.86 62.17 2aff h ILE 33 Cb 1.40 0.87 0.00 0.00 0.47 0.00 0.00 36.82 39.56 2aff h ILE 33 CO 0.58 0.36 0.15 -0.08 -3.07 0.00 0.00 178.15 176.08 2aff h GLU 34 N 0.77 0.00 -6.57 2.19 4.57 -1.96 -3.42 114.58 110.16 2aff h GLU 34 Ca 0.16 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.81 2aff h GLU 34 Cb 0.44 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 29.08 2aff h GLU 34 CO 0.02 0.00 0.99 0.00 -1.18 0.00 0.00 179.01 178.83 2aff h ASP 36 N 7.46 0.00 -3.22 0.00 3.32 -0.91 -3.37 116.42 119.70 2aff h ASP 36 Ca -0.43 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.07 2aff h ASP 36 Cb 1.21 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.39 2aff h ASP 36 CO 0.94 0.02 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.04 2aff s ILE 37 N -4.93 1.17 -0.11 0.35 1.01 -0.44 -4.95 121.20 113.30 2aff s ILE 37 Ca -0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 2aff s ILE 37 Cb 0.16 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2aff s ILE 37 CO 0.65 0.32 0.04 -0.13 0.00 0.00 0.00 174.94 175.81 2aff s ARG 38 N 1.64 3.26 -0.10 2.79 0.52 -1.26 -1.63 118.95 124.17 2aff s ARG 38 Ca 0.04 -0.34 0.04 0.00 -0.52 0.00 0.00 55.73 54.94 2aff s ARG 38 Cb -0.13 -2.95 0.00 0.00 0.52 0.00 0.00 34.95 32.39 2aff s ARG 38 CO -0.09 0.64 -0.23 0.42 0.02 0.00 0.00 175.30 176.06 2aff s ILE 39 N -0.69 2.03 0.00 1.52 1.01 -1.21 -4.97 121.20 118.89 2aff s ILE 39 Ca 0.11 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.77 2aff s ILE 39 Cb -0.12 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.60 2aff s ILE 39 CO 0.02 0.55 1.01 0.00 0.00 0.00 0.00 174.94 176.52 2aff n GLN 40 N 3.60 0.69 -4.39 2.79 6.02 -1.26 -4.60 117.38 120.23 2aff n GLN 40 Ca -0.19 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.46 2aff n GLN 40 Cb 0.53 -1.16 -0.12 0.00 1.02 0.00 0.00 30.24 30.51 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 3.23 0.00 1.08 1.43 -1.26 -4.99 118.68 118.17 2aff s LEU 41 Ca 0.00 -0.14 0.21 0.00 -1.03 0.00 0.00 54.13 53.16 2aff s LEU 41 Cb 0.00 -1.78 0.92 0.00 0.03 0.00 0.00 46.19 45.36 2aff s LEU 41 CO 0.00 0.16 1.66 -0.81 0.23 0.00 0.00 176.35 177.59 2aff n PRO 42 N 3.58 0.06 0.00 1.29 -0.04 -1.26 -2.51 135.00 136.12 2aff n PRO 42 Ca -0.17 0.13 0.13 0.00 -0.04 0.00 0.00 63.50 63.55 2aff n PRO 42 Cb 0.52 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.00 -3.17 0.52 0.24 -1.26 -4.90 118.33 108.30 2aff n VAL 43 Ca 0.06 -0.39 -0.39 0.00 -2.04 0.00 0.00 64.34 61.58 2aff n VAL 43 Cb 0.23 1.15 -0.06 0.00 -1.47 0.00 0.00 33.84 33.68 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 -2.07 4.78 0.96 3.34 1.01 -1.04 -4.97 120.40 122.41 2aff s VAL 44 Ca 0.30 1.33 -0.12 0.00 0.00 0.00 0.00 61.98 63.49 2aff s VAL 44 Cb 0.20 -3.97 0.16 0.00 0.00 0.00 0.00 36.38 32.78 2aff s VAL 44 CO 0.35 0.46 1.09 -0.44 0.00 0.00 0.00 175.10 176.56 2aff s SER 45 N -0.55 2.97 0.17 3.32 0.01 -1.26 -4.51 113.70 113.85 2aff s SER 45 Ca 0.32 1.32 -0.12 0.00 1.31 0.00 0.00 55.95 58.78 2aff s SER 45 Cb -0.19 -1.99 0.06 0.00 0.21 0.00 0.00 66.02 64.10 2aff s SER 45 CO 0.19 -2.93 1.68 0.11 0.41 0.00 0.00 173.24 172.70 2aff h LYS 46 N -1.76 0.90 0.00 12.44 1.57 -1.94 -1.56 116.57 126.23 2aff h LYS 46 Ca -0.52 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.04 2aff h LYS 46 Cb 1.31 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2aff h LYS 46 CO 0.56 0.84 -1.19 1.04 -0.57 0.00 0.00 179.45 180.12 2aff n GLN 47 N -4.40 0.41 0.00 3.15 6.02 -1.26 -2.31 117.38 119.00 2aff n GLN 47 Ca 0.03 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2aff n GLN 47 Cb 0.23 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.38 2aff n GLN 47 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2aff n HIS 48 N -1.66 0.00 -4.59 1.08 -0.00 -1.11 -3.80 115.22 105.14 2aff n HIS 48 Ca -0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.47 2aff n HIS 48 Cb 0.14 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.97 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 2.24 -0.10 0.00 2.20 -0.62 0.49 119.74 124.30 2aff s LYS 50 Ca -0.08 -0.57 0.01 0.00 -0.36 0.00 0.00 55.97 54.96 2aff s LYS 50 Cb -0.12 -1.88 -0.02 0.00 -1.51 0.00 0.00 37.83 34.30 2aff s LYS 50 CO 0.02 -0.04 -0.11 0.42 -0.36 0.00 0.00 175.35 175.28 2aff s ILE 51 N 0.90 3.27 -0.11 5.43 1.01 0.14 0.04 121.20 131.88 2aff s ILE 51 Ca -0.08 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 59.98 2aff s ILE 51 Cb -0.15 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 39.98 2aff s ILE 51 CO -0.00 0.55 -0.20 -0.70 0.00 0.00 0.00 174.94 174.59 2aff s GLU 52 N -0.16 2.68 -0.21 2.79 2.12 -0.35 -1.38 118.70 124.19 2aff s GLU 52 Ca 0.00 -0.74 -0.05 0.00 0.36 0.00 0.00 54.97 54.55 2aff s GLU 52 Cb -0.13 -2.14 -0.02 0.00 0.26 0.00 0.00 34.13 32.09 2aff s GLU 52 CO 0.03 0.03 -0.01 0.42 -0.54 0.00 0.00 175.26 175.20 2aff s ILE 53 N 0.71 3.79 -0.05 -3.70 1.01 -0.35 -1.07 121.20 121.53 2aff s ILE 53 Ca -0.11 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.21 2aff s ILE 53 Cb -0.16 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 2aff s ILE 53 CO 0.02 0.42 -0.14 -1.00 0.00 0.00 0.00 174.94 174.24 2aff s HIS 54 N 1.19 2.72 0.56 3.97 3.76 0.50 -4.92 115.29 123.06 2aff s HIS 54 Ca 0.03 -0.18 0.34 0.00 -0.15 0.00 0.00 55.06 55.10 2aff s HIS 54 Cb -0.15 -1.64 1.16 0.00 1.11 0.00 0.00 32.58 33.06 2aff s HIS 54 CO 0.01 0.17 1.32 -1.91 -0.85 0.00 0.00 174.74 173.48 2aff n GLU 55 N 2.37 0.01 0.08 1.40 2.13 -1.26 0.42 120.64 125.79 2aff n GLU 55 Ca -0.17 0.99 -0.03 0.00 0.66 0.00 0.00 57.16 58.61 2aff n GLU 55 Cb 0.52 -2.40 -0.01 0.00 0.27 0.00 0.00 31.44 29.81 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2aff h GLN 56 N 0.00 -0.20 0.00 5.31 4.20 -2.02 -3.49 115.11 118.91 2aff h GLN 56 Ca 0.63 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.35 2aff h GLN 56 Cb 3.10 0.04 0.00 0.00 0.30 0.00 0.00 27.48 30.92 2aff h GLN 56 CO -0.01 -0.13 0.00 -1.91 -0.67 0.00 0.00 178.83 176.11 2aff n GLU 57 N -2.79 0.00 -4.83 1.46 4.07 0.17 -5.16 120.64 113.55 2aff n GLU 57 Ca -0.03 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.75 2aff n GLU 57 Cb 0.08 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.32 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 -1.24 2.62 -0.11 4.31 0.00 -1.26 -0.37 121.76 125.70 2aff s ALA 58 Ca 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.07 2aff s ALA 58 Cb 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 22.01 2aff s ALA 58 CO 0.00 0.36 -0.21 0.42 0.00 0.00 0.00 175.76 176.33 2aff s ILE 59 N -0.02 1.88 -0.22 0.00 1.01 -0.24 0.81 121.20 124.42 2aff s ILE 59 Ca -0.04 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.62 2aff s ILE 59 Cb -0.14 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 2aff s ILE 59 CO 0.04 0.52 0.14 -0.22 0.00 0.00 0.00 174.94 175.42 2aff s LEU 60 N 0.64 4.13 -0.06 2.97 2.96 0.11 -1.21 118.68 128.22 2aff s LEU 60 Ca -0.12 0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 2aff s LEU 60 Cb -0.16 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 2aff s LEU 60 CO 0.03 0.12 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.05 2aff s HIS 61 N 0.72 2.75 -0.42 5.38 3.76 0.11 -2.21 115.29 125.38 2aff s HIS 61 Ca 0.07 -0.19 -0.15 0.00 -0.15 0.00 0.00 55.06 54.65 2aff s HIS 61 Cb -0.12 -1.67 0.03 0.00 1.11 0.00 0.00 32.58 31.93 2aff s HIS 61 CO 0.01 0.16 0.31 1.21 -0.85 0.00 0.00 174.74 175.58 2aff s ASN 62 N -0.60 6.07 0.00 1.40 3.04 -1.26 -1.59 114.94 121.99 2aff s ASN 62 Ca 0.09 -1.02 0.20 0.00 0.04 0.00 0.00 52.86 52.17 2aff s ASN 62 Cb -0.11 -2.15 -0.21 0.00 -1.54 0.00 0.00 41.25 37.24 2aff s ASN 62 CO 0.01 -0.49 0.87 0.49 -3.04 0.00 0.00 177.10 174.94 2aff n PHE 63 N 5.15 0.00 -2.35 0.43 3.01 -0.43 -4.85 117.46 118.41 2aff n PHE 63 Ca -0.11 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.95 2aff n PHE 63 Cb 0.46 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.90 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 -2.89 5.82 0.16 4.37 0.15 -0.57 -4.66 113.70 116.07 2aff s SER 64 Ca 0.08 -0.23 -0.05 0.00 0.70 0.00 0.00 55.95 56.46 2aff s SER 64 Cb 0.15 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.93 2aff s SER 64 CO 0.82 -2.05 1.41 -1.28 1.20 0.00 0.00 173.24 173.35 2aff h SER 65 N 11.84 0.63 -0.13 5.45 0.87 -1.91 -3.00 113.55 127.30 2aff h SER 65 Ca -0.24 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 59.91 2aff h SER 65 Cb 1.09 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2aff h SER 65 CO 1.26 1.15 0.02 0.74 -0.53 0.00 0.00 176.83 179.47 2aff h THR 66 N 0.37 1.22 -2.45 2.23 2.02 -2.00 -3.41 112.91 110.90 2aff h THR 66 Ca -0.03 -0.71 -0.48 0.00 0.77 0.00 0.00 66.41 65.97 2aff h THR 66 Cb 1.29 1.45 -0.37 0.00 -1.74 0.00 0.00 68.15 68.79 2aff h THR 66 CO 0.13 0.21 -0.76 0.20 0.37 0.00 0.00 175.52 175.67 2aff s ASN 67 N -5.66 2.58 0.52 4.18 0.01 -1.23 -5.14 114.94 110.20 2aff s ASN 67 Ca -0.14 -1.52 -0.21 0.00 -0.71 0.00 0.00 52.86 50.27 2aff s ASN 67 Cb 0.06 -0.04 -0.07 0.00 0.41 0.00 0.00 41.25 41.61 2aff s ASN 67 CO 0.70 -0.36 1.06 -2.65 -1.51 0.00 0.00 177.10 174.34 2aff n PRO 68 N 4.70 1.24 -2.49 -0.60 -0.02 -1.14 -4.72 135.00 131.98 2aff n PRO 68 Ca 0.04 0.46 -0.40 0.00 -2.02 0.00 0.00 63.50 61.57 2aff n PRO 68 Cb 0.42 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.39 3.52 -0.06 3.45 2.01 -1.26 -4.86 115.64 117.05 2aff s THR 69 Ca 0.70 1.50 -0.06 0.00 0.31 0.00 0.00 61.69 64.14 2aff s THR 69 Cb -0.46 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 2aff s THR 69 CO 0.51 0.34 0.19 -1.10 -0.69 0.00 0.00 174.62 173.87 2aff s GLN 70 N -1.52 3.49 -0.03 4.92 -0.21 -0.48 -1.97 119.66 123.86 2aff s GLN 70 Ca 0.45 -0.14 0.03 0.00 0.02 0.00 0.00 55.36 55.72 2aff s GLN 70 Cb -0.31 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.56 2aff s GLN 70 CO 0.40 0.72 -0.10 0.08 -2.12 0.00 0.00 175.29 174.27 2aff s VAL 71 N -1.16 0.89 -1.01 1.09 1.01 0.54 0.17 120.40 121.93 2aff s VAL 71 Ca 0.21 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 2aff s VAL 71 Cb -0.13 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2aff s VAL 71 CO 0.11 0.28 0.02 0.59 0.00 0.00 0.00 175.10 176.10 2aff n ASN 72 N 3.37 -3.76 -0.62 3.32 3.02 -0.34 0.17 115.26 120.42 2aff n ASN 72 Ca -0.19 0.19 -0.06 0.00 -0.03 0.00 0.00 54.58 54.48 2aff n ASN 72 Cb 0.54 -3.20 -0.01 0.00 -0.61 0.00 0.00 39.78 36.49 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 -0.81 0.40 2.89 7.41 0.00 -1.26 -5.03 105.19 108.79 2aff n GLY 73 Ca -0.13 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.80 0.35 0.22 1.61 1.04 0.46 -5.08 113.70 109.49 2aff s SER 74 Ca 0.00 -0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.09 2aff s SER 74 Cb 0.00 -0.08 -0.09 0.00 0.10 0.00 0.00 66.02 65.95 2aff s SER 74 CO 0.00 -0.00 1.24 -0.69 0.98 0.00 0.00 173.24 174.77 2aff s VAL 75 N 0.22 3.31 -0.59 5.02 1.01 -1.26 0.20 120.40 128.31 2aff s VAL 75 Ca -0.02 1.14 -0.06 0.00 0.00 0.00 0.00 61.98 63.04 2aff s VAL 75 Cb -0.04 -3.73 0.15 0.00 0.00 0.00 0.00 36.38 32.76 2aff s VAL 75 CO -0.01 0.20 0.43 0.27 0.00 0.00 0.00 175.10 176.00 2aff s ILE 76 N -0.27 4.05 0.36 2.22 -4.36 -0.83 -4.90 121.20 117.47 2aff s ILE 76 Ca 0.53 -2.49 0.14 0.00 -0.26 0.00 0.00 60.65 58.57 2aff s ILE 76 Cb -0.35 -3.64 0.10 0.00 1.25 0.00 0.00 42.46 39.82 2aff s ILE 76 CO 0.40 -0.85 1.83 0.44 0.24 0.00 0.00 174.94 176.99 2aff h ASP 77 N 7.62 0.00 -2.25 4.36 3.32 -1.95 -3.43 116.42 124.09 2aff h ASP 77 Ca -0.06 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.42 2aff h ASP 77 Cb 1.01 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.42 2aff h ASP 77 CO 0.75 0.37 -0.55 -1.61 -1.72 0.00 0.00 179.24 176.48 2aff s GLU 78 N -4.13 1.92 0.49 3.56 2.02 -1.26 -4.90 118.70 116.41 2aff s GLU 78 Ca -0.03 -2.15 -0.24 0.00 0.02 0.00 0.00 54.97 52.58 2aff s GLU 78 Cb 0.14 -1.07 -0.07 0.00 0.10 0.00 0.00 34.13 33.24 2aff s GLU 78 CO 0.72 -0.30 1.38 -2.14 0.02 0.00 0.00 175.26 174.93 2aff s PRO 79 N -3.80 3.46 -0.04 0.39 0.02 -1.26 -4.74 135.00 129.03 2aff s PRO 79 Ca 0.25 2.29 -0.05 0.00 0.02 0.00 0.00 61.00 63.50 2aff s PRO 79 Cb 0.05 -2.47 0.01 0.00 0.02 0.00 0.00 34.50 32.11 2aff s PRO 79 CO 0.12 -0.96 0.14 0.14 -0.33 0.00 0.00 177.00 176.11 2aff s VAL 80 N -1.27 0.03 0.05 3.83 -7.23 -0.94 -5.00 120.40 109.87 2aff s VAL 80 Ca 0.66 -0.22 -0.30 0.00 -1.81 0.00 0.00 61.98 60.30 2aff s VAL 80 Cb -0.41 -0.27 -0.05 0.00 0.56 0.00 0.00 36.38 36.21 2aff s VAL 80 CO 0.51 -0.12 1.16 -0.13 -0.31 0.00 0.00 175.10 176.20 2aff s ARG 81 N -0.38 4.46 0.16 4.82 0.52 -1.26 -0.71 118.95 126.55 2aff s ARG 81 Ca -0.05 1.70 -0.26 0.00 -0.52 0.00 0.00 55.73 56.60 2aff s ARG 81 Cb -0.03 -3.37 -0.08 0.00 0.52 0.00 0.00 34.95 31.99 2aff s ARG 81 CO 0.01 -0.22 0.79 -0.51 0.02 0.00 0.00 175.30 175.39 2aff s LEU 82 N 1.08 4.58 0.10 2.53 1.43 0.24 -4.91 118.68 123.73 2aff s LEU 82 Ca 0.57 1.65 0.07 0.00 -1.03 0.00 0.00 54.13 55.40 2aff s LEU 82 Cb -0.28 -3.32 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 2aff s LEU 82 CO 0.29 0.18 -0.18 -0.54 0.23 0.00 0.00 176.35 176.32 2aff s LYS 83 N -1.00 1.06 0.04 1.70 1.02 -1.26 -4.35 119.74 116.95 2aff s LYS 83 Ca 0.37 -1.15 -0.32 0.00 0.02 0.00 0.00 55.97 54.89 2aff s LYS 83 Cb -0.23 -1.19 -0.11 0.00 -0.52 0.00 0.00 37.83 35.78 2aff s LYS 83 CO 0.26 0.27 1.88 1.58 -0.92 0.00 0.00 175.35 178.42 2aff n HIS 84 N 0.97 2.47 0.00 3.18 -0.00 -1.26 -1.26 115.22 119.33 2aff n HIS 84 Ca -0.19 -0.15 0.00 0.00 -0.00 0.00 0.00 57.72 57.38 2aff n HIS 84 Cb 0.54 -2.72 0.00 0.00 -0.00 0.00 0.00 29.99 27.81 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 4.33 1.51 3.74 1.57 0.00 -0.84 -4.99 105.19 110.51 2aff n GLY 85 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2aff n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aff s ASP 86 N -1.81 7.25 -0.14 1.61 1.01 -0.39 -4.86 116.67 119.35 2aff s ASP 86 Ca 0.00 2.15 -0.04 0.00 0.71 0.00 0.00 52.55 55.37 2aff s ASP 86 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2aff s ASP 86 CO 0.00 -0.21 -0.02 -0.69 0.21 0.00 0.00 175.17 174.45 2aff s VAL 87 N -0.46 4.03 -0.15 -1.27 1.01 -1.26 -2.13 120.40 120.17 2aff s VAL 87 Ca 0.48 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 2aff s VAL 87 Cb -0.30 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 2aff s VAL 87 CO 0.37 0.51 0.25 -0.63 0.00 0.00 0.00 175.10 175.60 2aff s ILE 88 N 0.11 5.33 -0.10 2.22 1.01 -0.65 -1.20 121.20 127.91 2aff s ILE 88 Ca 0.00 0.47 0.02 0.00 0.00 0.00 0.00 60.65 61.14 2aff s ILE 88 Cb -0.13 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.77 2aff s ILE 88 CO 0.02 0.44 -0.16 -0.89 0.00 0.00 0.00 174.94 174.35 2aff s THR 89 N 0.14 1.56 -0.19 2.92 2.01 0.45 0.13 115.64 122.66 2aff s THR 89 Ca 0.15 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.44 2aff s THR 89 Cb -0.13 -1.41 -0.00 0.00 0.01 0.00 0.00 72.50 70.97 2aff s THR 89 CO 0.04 0.45 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.68 2aff s ILE 90 N 0.84 2.91 0.00 1.82 1.01 0.47 -1.39 121.20 126.87 2aff s ILE 90 Ca -0.10 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2aff s ILE 90 Cb -0.15 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 40.04 2aff s ILE 90 CO 0.01 0.48 0.00 -0.38 0.00 0.00 0.00 174.94 175.04 2aff n ILE 91 N 4.49 0.00 -0.20 2.92 5.41 -1.26 0.17 119.36 130.89 2aff n ILE 91 Ca -0.19 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.66 2aff n ILE 91 Cb 0.51 0.00 0.25 0.00 -0.71 0.00 0.00 39.64 39.69 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 2.69 3.52 -4.12 4.38 8.00 -1.26 -4.97 116.55 124.80 2aff n ASP 92 Ca 0.00 -1.98 -0.17 0.00 0.71 0.00 0.00 54.79 53.35 2aff n ASP 92 Cb 0.00 -0.37 -0.12 0.00 -0.02 0.00 0.00 41.12 40.61 2aff n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aff s ARG 93 N -1.06 0.73 0.06 -1.24 1.70 0.45 -4.66 118.95 114.93 2aff s ARG 93 Ca 0.39 -0.79 0.03 0.00 -0.47 0.00 0.00 55.73 54.88 2aff s ARG 93 Cb 0.21 -0.67 -0.03 0.00 -0.57 0.00 0.00 34.95 33.89 2aff s ARG 93 CO 0.27 0.15 -0.08 -1.12 -1.08 0.00 0.00 175.30 173.44 2aff s SER 94 N -1.42 1.05 -0.17 -2.89 0.01 -1.26 0.18 113.70 109.20 2aff s SER 94 Ca -0.03 -0.66 0.01 0.00 1.31 0.00 0.00 55.95 56.57 2aff s SER 94 Cb -0.09 0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.19 2aff s SER 94 CO 0.01 -0.24 -0.19 -0.36 0.41 0.00 0.00 173.24 172.87 2aff s PHE 95 N -1.88 2.76 0.01 2.43 0.40 0.12 -2.16 117.98 119.66 2aff s PHE 95 Ca -0.04 -1.50 -0.28 0.00 -0.60 0.00 0.00 56.93 54.51 2aff s PHE 95 Cb -0.07 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 2aff s PHE 95 CO -0.00 -0.73 0.91 1.03 0.70 0.00 0.00 175.22 177.13 2aff s ARG 96 N 1.16 4.55 -0.26 0.44 0.52 -0.89 -1.64 118.95 122.83 2aff s ARG 96 Ca 0.01 1.30 -0.17 0.00 -0.52 0.00 0.00 55.73 56.35 2aff s ARG 96 Cb -0.14 -3.44 -0.03 0.00 0.52 0.00 0.00 34.95 31.86 2aff s ARG 96 CO -0.09 0.04 0.48 -0.47 0.02 0.00 0.00 175.30 175.27 2aff s TYR 97 N 0.74 3.27 -0.06 -0.53 5.04 -0.91 -2.37 117.35 122.53 2aff s TYR 97 Ca 0.48 0.58 -0.01 0.00 -2.44 0.00 0.00 57.07 55.68 2aff s TYR 97 Cb -0.21 -2.68 0.03 0.00 0.35 0.00 0.00 41.96 39.45 2aff s TYR 97 CO 0.26 -0.26 0.01 -1.21 -1.34 0.00 0.00 175.55 173.01 2aff s GLU 98 N 2.20 0.48 0.20 4.97 2.02 -0.91 -1.99 118.70 125.67 2aff s GLU 98 Ca 0.20 0.12 -0.09 0.00 0.02 0.00 0.00 54.97 55.22 2aff s GLU 98 Cb -0.16 -0.82 0.12 0.00 0.10 0.00 0.00 34.13 33.38 2aff s GLU 98 CO 0.09 -0.26 1.75 -0.91 0.02 0.00 0.00 175.26 175.95 2aff h ASN 99 N 8.09 1.02 0.00 -0.19 2.35 -1.85 -1.36 115.58 123.63 2aff h ASN 99 Ca -0.23 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 2aff h ASN 99 Cb 1.13 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.23 2aff h ASN 99 CO 0.29 0.94 0.00 -0.62 -1.65 0.00 0.00 177.43 176.39