#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 0.45 -3.70 0.52 -2.24 -1.26 -4.93 114.28 103.12 2aff n THR 4 Ca 0.00 0.03 -0.35 0.00 -2.27 0.00 0.00 64.05 61.45 2aff n THR 4 Cb 0.00 -1.59 -0.08 0.00 -2.10 0.00 0.00 70.33 66.56 2aff n THR 4 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2aff s ARG 5 N -2.09 4.19 0.02 -0.78 0.52 -1.26 0.35 118.95 119.90 2aff s ARG 5 Ca -0.06 -0.18 0.05 0.00 -0.52 0.00 0.00 55.73 55.02 2aff s ARG 5 Cb 0.02 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 2aff s ARG 5 CO 0.07 0.28 -0.15 1.03 0.02 0.00 0.00 175.30 176.56 2aff s ARG 6 N 0.41 1.06 -0.08 3.54 0.52 -0.39 -2.07 118.95 121.94 2aff s ARG 6 Ca 0.09 -0.66 0.02 0.00 -0.52 0.00 0.00 55.73 54.66 2aff s ARG 6 Cb -0.11 -1.06 -0.02 0.00 0.52 0.00 0.00 34.95 34.27 2aff s ARG 6 CO -0.01 0.28 -0.12 -0.51 0.02 0.00 0.00 175.30 174.95 2aff s LEU 7 N -0.78 2.82 -0.12 2.53 1.43 -0.74 -1.62 118.68 122.20 2aff s LEU 7 Ca 0.04 -0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2aff s LEU 7 Cb -0.07 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 2aff s LEU 7 CO 0.00 0.28 -0.11 -0.69 0.23 0.00 0.00 176.35 176.07 2aff s VAL 8 N -0.35 3.25 -0.33 -1.59 1.01 -0.87 0.70 120.40 122.22 2aff s VAL 8 Ca 0.04 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 2aff s VAL 8 Cb -0.12 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 2aff s VAL 8 CO 0.02 0.53 0.66 -0.89 0.00 0.00 0.00 175.10 175.42 2aff s THR 9 N 0.13 4.89 0.19 3.92 2.01 -0.98 -1.63 115.64 124.17 2aff s THR 9 Ca -0.05 0.76 -0.22 0.00 0.31 0.00 0.00 61.69 62.48 2aff s THR 9 Cb -0.15 -4.06 -0.08 0.00 0.01 0.00 0.00 72.50 68.22 2aff s THR 9 CO 0.04 -0.25 0.74 -0.63 -0.69 0.00 0.00 174.62 173.83 2aff s ILE 10 N 2.72 4.48 0.40 1.82 1.01 -0.51 -2.41 121.20 128.71 2aff s ILE 10 Ca 0.26 1.48 -0.02 0.00 0.00 0.00 0.00 60.65 62.37 2aff s ILE 10 Cb -0.14 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 2aff s ILE 10 CO 0.14 0.37 0.65 -0.54 0.00 0.00 0.00 174.94 175.55 2aff s LYS 11 N -1.56 3.51 0.53 2.79 1.02 0.45 -4.21 119.74 122.28 2aff s LYS 11 Ca 0.39 -0.11 0.20 0.00 0.02 0.00 0.00 55.97 56.47 2aff s LYS 11 Cb -0.20 -2.54 1.36 0.00 -0.52 0.00 0.00 37.83 35.93 2aff s LYS 11 CO 0.23 0.00 2.10 0.00 -0.92 0.00 0.00 175.35 176.76 2aff h ARG 12 N 0.54 0.00 0.00 1.68 3.08 -1.88 0.26 114.38 118.05 2aff h ARG 12 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2aff h ARG 12 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2aff h ARG 12 CO 0.61 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 180.17 2aff h SER 13 N 0.00 0.00 -0.00 7.04 4.64 -1.93 -3.47 113.55 119.83 2aff h SER 13 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2aff h SER 13 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 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 0.82 1.72 3.21 -0.77 0.00 0.90 -5.11 105.19 105.97 2aff n GLY 14 Ca 0.04 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 1.92 0.22 1.61 1.01 -1.24 -4.84 120.40 117.06 2aff s VAL 15 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 2aff s VAL 15 Cb 0.00 -1.65 -0.08 0.00 0.00 0.00 0.00 36.38 34.65 2aff s VAL 15 CO 0.00 0.53 1.00 -1.81 0.00 0.00 0.00 175.10 174.82 2aff s ASP 16 N 0.15 7.49 0.00 3.32 1.01 -1.26 -0.41 116.67 126.97 2aff s ASP 16 Ca -0.12 2.01 0.00 0.00 0.71 0.00 0.00 52.55 55.15 2aff s ASP 16 Cb -0.16 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.17 2aff s ASP 16 CO 0.06 0.01 0.00 0.61 0.21 0.00 0.00 175.17 176.05 2aff n GLY 17 N 1.65 3.03 3.78 0.21 0.00 -1.01 -4.95 105.19 107.89 2aff n GLY 17 Ca -0.00 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 2.57 3.63 0.23 1.61 0.04 -1.26 -4.79 135.00 137.03 2aff s PRO 18 Ca 0.00 1.61 0.09 0.00 0.04 0.00 0.00 61.00 62.74 2aff s PRO 18 Cb 0.00 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2aff s PRO 18 CO 0.00 -0.62 -0.03 -3.38 0.04 0.00 0.00 177.00 173.01 2aff s HIS 19 N -1.73 2.70 -0.33 0.56 -3.43 -1.26 -2.32 115.29 109.48 2aff s HIS 19 Ca 0.68 -0.21 0.04 0.00 -0.80 0.00 0.00 55.06 54.76 2aff s HIS 19 Cb -0.24 -1.24 0.09 0.00 -1.43 0.00 0.00 32.58 29.77 2aff s HIS 19 CO 0.28 0.59 0.03 0.12 -2.00 0.00 0.00 174.74 173.76 2aff s PHE 20 N -2.11 3.61 0.08 0.38 5.36 0.22 -4.96 117.98 120.56 2aff s PHE 20 Ca 0.29 -2.87 -0.30 0.00 -0.96 0.00 0.00 56.93 53.10 2aff s PHE 20 Cb -0.07 -2.75 -0.06 0.00 -0.34 0.00 0.00 43.02 39.80 2aff s PHE 20 CO 0.19 -0.94 1.15 -1.25 -1.46 0.00 0.00 175.22 172.91 2aff s PRO 21 N 0.96 4.49 -1.09 10.12 0.04 -1.26 -1.80 135.00 146.45 2aff s PRO 21 Ca 0.08 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 62.66 2aff s PRO 21 Cb -0.19 -3.34 0.12 0.00 0.04 0.00 0.00 34.50 31.13 2aff s PRO 21 CO -0.08 -0.15 1.37 -0.51 0.04 0.00 0.00 177.00 177.66 2aff s LEU 22 N 0.70 4.64 0.00 -3.56 1.43 -0.88 -4.70 118.68 116.31 2aff s LEU 22 Ca 0.56 -2.33 0.25 0.00 -1.03 0.00 0.00 54.13 51.59 2aff s LEU 22 Cb -0.28 -2.45 0.60 0.00 0.03 0.00 0.00 46.19 44.08 2aff s LEU 22 CO 0.30 -1.04 1.48 -1.54 0.23 0.00 0.00 176.35 175.78 2aff n SER 23 N 6.88 0.48 -4.79 2.29 3.41 -1.26 -4.70 113.62 115.92 2aff n SER 23 Ca 0.33 -0.22 -0.32 0.00 -0.26 0.00 0.00 58.87 58.41 2aff n SER 23 Cb 0.47 0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 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 -2.97 3.90 0.34 1.04 1.43 -1.26 -5.00 118.68 116.16 2aff s LEU 24 Ca 0.12 0.08 0.27 0.00 -1.03 0.00 0.00 54.13 53.57 2aff s LEU 24 Cb 0.18 -2.45 1.07 0.00 0.03 0.00 0.00 46.19 45.02 2aff s LEU 24 CO 0.67 0.21 1.79 0.28 0.23 0.00 0.00 176.35 179.54 2aff h SER 25 N 3.60 0.00 -3.72 2.29 0.02 -1.91 -3.43 113.55 110.41 2aff h SER 25 Ca -0.47 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.02 2aff h SER 25 Cb 1.17 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.39 2aff h SER 25 CO 0.65 0.00 -0.79 -0.89 -1.14 0.00 0.00 176.83 174.66 2aff s THR 26 N -3.40 0.87 -0.11 -2.27 2.01 -1.26 -0.86 115.64 110.62 2aff s THR 26 Ca 0.04 -0.39 -0.00 0.00 0.31 0.00 0.00 61.69 61.65 2aff s THR 26 Cb 0.09 -0.79 0.02 0.00 0.01 0.00 0.00 72.50 71.84 2aff s THR 26 CO 0.45 0.28 -0.08 0.00 -0.69 0.00 0.00 174.62 174.58 2aff s LEU 28 N 1.66 2.47 -0.08 0.00 2.96 -1.26 0.14 118.68 124.57 2aff s LEU 28 Ca 0.04 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2aff s LEU 28 Cb -0.13 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 2aff s LEU 28 CO -0.08 0.16 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.72 2aff s PHE 29 N 0.36 3.03 -5.00 5.38 0.40 0.97 -0.38 117.98 122.75 2aff s PHE 29 Ca -0.14 0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 2aff s PHE 29 Cb -0.17 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.60 2aff s PHE 29 CO 0.07 0.35 0.00 0.41 0.70 0.00 0.00 175.22 176.75 2aff n GLY 30 N 2.30 -1.23 0.22 4.36 0.00 -0.51 -2.43 105.19 107.91 2aff n GLY 30 Ca -0.18 -1.57 -0.02 0.00 0.00 0.00 0.00 46.02 44.25 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 2.52 0.35 -6.24 1.61 3.08 -1.49 -2.95 114.38 111.26 2aff h ARG 31 Ca 0.00 -0.13 -0.69 0.00 0.07 0.00 0.00 59.98 59.24 2aff h ARG 31 Cb 0.00 -0.02 0.06 0.00 0.08 0.00 0.00 29.97 30.09 2aff h ARG 31 CO 0.00 0.60 0.30 0.41 -1.07 0.00 0.00 179.97 180.21 2aff n GLY 32 N -0.43 0.15 0.27 0.04 0.00 -0.96 -4.80 105.19 99.45 2aff n GLY 32 Ca -0.01 0.64 -0.09 0.00 0.00 0.00 0.00 46.02 46.57 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 2.98 1.25 0.00 -0.61 6.09 -1.91 -1.26 117.51 124.05 2aff h ILE 33 Ca -0.46 -0.91 0.00 0.00 -1.37 0.00 0.00 64.86 62.12 2aff h ILE 33 Cb 1.36 0.76 0.00 0.00 0.47 0.00 0.00 36.82 39.41 2aff h ILE 33 CO 0.73 0.34 0.12 -1.84 -3.07 0.00 0.00 178.15 174.42 2aff n GLU 34 N -4.38 0.07 -2.27 2.19 0.28 -1.26 -4.62 120.64 110.66 2aff n GLU 34 Ca 0.02 0.53 -0.41 0.00 -0.16 0.00 0.00 57.16 57.15 2aff n GLU 34 Cb 0.25 -1.86 -0.03 0.00 1.43 0.00 0.00 31.44 31.23 2aff n GLU 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2aff h ASP 36 N 3.85 0.52 -3.58 0.00 3.32 -0.97 -3.38 116.42 116.17 2aff h ASP 36 Ca -0.47 -0.09 -0.64 0.00 0.02 0.00 0.00 57.03 55.84 2aff h ASP 36 Cb 1.22 -0.14 -0.37 0.00 0.22 0.00 0.00 39.33 40.26 2aff h ASP 36 CO 0.68 0.58 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.33 2aff s ILE 37 N -5.02 1.89 -0.18 0.35 -1.09 0.32 -4.94 121.20 112.52 2aff s ILE 37 Ca -0.08 -1.28 -0.08 0.00 -2.23 0.00 0.00 60.65 56.98 2aff s ILE 37 Cb 0.16 -1.97 -0.04 0.00 -1.58 0.00 0.00 42.46 39.02 2aff s ILE 37 CO 0.77 0.10 0.10 -0.60 -1.23 0.00 0.00 174.94 174.07 2aff s ARG 38 N 1.26 4.02 -0.09 2.79 3.52 -1.26 -1.42 118.95 127.78 2aff s ARG 38 Ca -0.04 -0.27 0.04 0.00 -0.13 0.00 0.00 55.73 55.32 2aff s ARG 38 Cb -0.18 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 2aff s ARG 38 CO -0.07 0.33 -0.22 0.42 -0.81 0.00 0.00 175.30 174.95 2aff s ILE 39 N 0.24 2.28 0.00 4.11 1.01 -1.11 -4.94 121.20 122.78 2aff s ILE 39 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2aff s ILE 39 Cb -0.12 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.48 2aff s ILE 39 CO -0.01 0.56 1.00 0.00 0.00 0.00 0.00 174.94 176.49 2aff n GLN 40 N 3.31 0.80 -3.37 2.79 6.02 -1.26 -4.33 117.38 121.35 2aff n GLN 40 Ca -0.18 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.41 2aff n GLN 40 Cb 0.53 -1.10 -0.09 0.00 1.02 0.00 0.00 30.24 30.60 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 4.15 0.07 1.08 1.43 -1.26 -4.94 118.68 119.21 2aff s LEU 41 Ca 0.00 0.16 0.21 0.00 -1.03 0.00 0.00 54.13 53.47 2aff s LEU 41 Cb 0.00 -2.44 0.86 0.00 0.03 0.00 0.00 46.19 44.64 2aff s LEU 41 CO 0.00 -0.26 1.66 -0.81 0.23 0.00 0.00 176.35 177.17 2aff n PRO 42 N 5.41 0.06 -0.15 1.29 -0.04 -1.26 -2.13 135.00 138.18 2aff n PRO 42 Ca -0.08 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 2aff n PRO 42 Cb 0.50 -1.60 0.27 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.72 0.40 -3.80 0.52 0.24 -1.26 -4.90 118.33 107.81 2aff n VAL 43 Ca 0.04 -0.59 -0.37 0.00 -2.04 0.00 0.00 64.34 61.38 2aff n VAL 43 Cb 0.25 0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 33.25 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 -1.60 5.42 1.16 3.34 1.01 -0.90 -4.85 120.40 123.98 2aff s VAL 44 Ca 0.36 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.50 2aff s VAL 44 Cb 0.20 -3.46 0.27 0.00 0.00 0.00 0.00 36.38 33.39 2aff s VAL 44 CO 0.29 0.61 1.09 -0.44 0.00 0.00 0.00 175.10 176.64 2aff s SER 45 N -1.02 1.22 0.14 3.32 0.01 -1.26 -4.64 113.70 111.48 2aff s SER 45 Ca 0.17 0.84 -0.14 0.00 1.31 0.00 0.00 55.95 58.13 2aff s SER 45 Cb -0.13 -1.25 0.01 0.00 0.21 0.00 0.00 66.02 64.87 2aff s SER 45 CO 0.06 -3.96 1.63 0.11 0.41 0.00 0.00 173.24 171.49 2aff h LYS 46 N -2.46 0.77 0.00 12.44 1.57 -1.94 -2.75 116.57 124.19 2aff h LYS 46 Ca -0.49 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.09 2aff h LYS 46 Cb 1.31 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2aff h LYS 46 CO 0.41 0.78 -0.58 1.04 -0.57 0.00 0.00 179.45 180.53 2aff n GLN 47 N -4.45 3.56 0.00 3.15 6.02 -1.26 -2.27 117.38 122.13 2aff n GLN 47 Ca 0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2aff n GLN 47 Cb 0.25 -0.91 0.00 0.00 1.02 0.00 0.00 30.24 30.60 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 -1.31 0.00 -4.18 1.08 -0.00 -1.10 -3.86 115.22 105.84 2aff n HIS 48 Ca 0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.56 2aff n HIS 48 Cb 0.12 0.00 -0.14 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 -0.18 2.02 -0.09 0.00 2.20 -0.50 -0.02 119.74 123.18 2aff s LYS 50 Ca 0.02 -0.61 0.03 0.00 -0.36 0.00 0.00 55.97 55.05 2aff s LYS 50 Cb -0.02 -1.67 -0.01 0.00 -1.51 0.00 0.00 37.83 34.61 2aff s LYS 50 CO -0.00 0.17 -0.18 0.42 -0.36 0.00 0.00 175.35 175.40 2aff s ILE 51 N 0.28 2.66 -0.11 5.43 1.01 0.12 -0.27 121.20 130.33 2aff s ILE 51 Ca -0.10 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.75 2aff s ILE 51 Cb -0.14 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.28 2aff s ILE 51 CO 0.04 0.56 -0.23 -0.70 0.00 0.00 0.00 174.94 174.60 2aff s GLU 52 N -0.08 3.04 -0.22 2.79 2.56 -0.11 -1.37 118.70 125.31 2aff s GLU 52 Ca -0.04 -0.87 -0.07 0.00 0.00 0.00 0.00 54.97 53.99 2aff s GLU 52 Cb -0.14 -2.34 -0.03 0.00 2.00 0.00 0.00 34.13 33.62 2aff s GLU 52 CO 0.04 0.13 0.06 0.42 -0.56 0.00 0.00 175.26 175.35 2aff s ILE 53 N 0.47 4.43 -0.02 -3.70 1.01 -0.04 -0.08 121.20 123.28 2aff s ILE 53 Ca -0.16 -0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.43 2aff s ILE 53 Cb -0.17 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 2aff s ILE 53 CO 0.06 0.38 -0.25 -1.00 0.00 0.00 0.00 174.94 174.13 2aff s HIS 54 N 1.18 2.27 0.58 3.97 3.76 0.11 -4.91 115.29 122.25 2aff s HIS 54 Ca 0.04 -0.43 0.29 0.00 -0.15 0.00 0.00 55.06 54.81 2aff s HIS 54 Cb -0.14 -1.46 0.99 0.00 1.11 0.00 0.00 32.58 33.07 2aff s HIS 54 CO 0.03 -0.04 1.29 -1.91 -0.85 0.00 0.00 174.74 173.26 2aff n GLU 55 N 2.47 0.01 0.05 1.40 2.13 -1.26 0.77 120.64 126.21 2aff n GLU 55 Ca -0.16 1.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.64 2aff n GLU 55 Cb 0.51 -2.45 -0.01 0.00 0.27 0.00 0.00 31.44 29.76 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 -0.13 0.00 5.31 5.75 -2.01 -3.50 115.11 120.53 2aff h GLN 56 Ca 0.54 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 59.04 2aff h GLN 56 Cb 2.96 0.03 0.00 0.00 1.07 0.00 0.00 27.48 31.54 2aff h GLN 56 CO -0.01 -0.09 0.00 -0.85 -2.65 0.00 0.00 178.83 175.24 2aff n GLU 57 N -2.59 0.00 -4.78 1.69 0.28 0.23 -5.16 120.64 110.32 2aff n GLU 57 Ca -0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.65 2aff n GLU 57 Cb 0.05 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.78 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 -1.00 2.66 -0.16 -1.84 0.00 -1.26 0.10 121.76 120.25 2aff s ALA 58 Ca 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 2aff s ALA 58 Cb 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 2aff s ALA 58 CO 0.00 0.32 -0.06 0.42 0.00 0.00 0.00 175.76 176.44 2aff s ILE 59 N 0.10 3.54 -0.22 0.00 -1.09 0.89 -1.16 121.20 123.26 2aff s ILE 59 Ca -0.05 -0.47 -0.08 0.00 -2.23 0.00 0.00 60.65 57.81 2aff s ILE 59 Cb -0.15 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.14 2aff s ILE 59 CO 0.04 0.48 0.09 -0.22 -1.23 0.00 0.00 174.94 174.11 2aff s LEU 60 N 0.63 3.77 -0.03 2.97 2.96 0.32 -0.94 118.68 128.36 2aff s LEU 60 Ca -0.04 -0.01 0.07 0.00 -0.22 0.00 0.00 54.13 53.93 2aff s LEU 60 Cb -0.15 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 2aff s LEU 60 CO 0.03 0.07 -0.23 -1.00 -1.32 0.00 0.00 176.35 173.90 2aff s HIS 61 N 0.98 2.44 -0.42 5.38 3.76 0.63 -0.89 115.29 127.18 2aff s HIS 61 Ca 0.05 -0.39 -0.13 0.00 -0.15 0.00 0.00 55.06 54.44 2aff s HIS 61 Cb -0.14 -1.55 0.05 0.00 1.11 0.00 0.00 32.58 32.05 2aff s HIS 61 CO 0.03 0.00 0.29 1.21 -0.85 0.00 0.00 174.74 175.42 2aff s ASN 62 N -0.59 5.91 0.00 1.40 3.04 -1.26 -1.41 114.94 122.02 2aff s ASN 62 Ca 0.09 -1.15 0.24 0.00 0.04 0.00 0.00 52.86 52.07 2aff s ASN 62 Cb -0.11 -2.09 0.26 0.00 -1.54 0.00 0.00 41.25 37.77 2aff s ASN 62 CO -0.00 -0.50 1.24 0.49 -3.04 0.00 0.00 177.10 175.29 2aff n PHE 63 N 5.07 0.00 -2.78 0.43 3.01 -0.07 -4.78 117.46 118.34 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 0.45 -0.10 -0.04 0.00 -0.01 0.00 0.00 39.48 39.78 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 -2.78 6.18 0.14 4.37 0.15 -0.33 -4.67 113.70 116.76 2aff s SER 64 Ca 0.15 -0.89 0.02 0.00 0.70 0.00 0.00 55.95 55.93 2aff s SER 64 Cb 0.18 -2.45 -0.09 0.00 -1.71 0.00 0.00 66.02 61.94 2aff s SER 64 CO 0.68 -1.53 1.31 0.77 1.20 0.00 0.00 173.24 175.67 2aff h SER 65 N 9.67 0.26 -0.05 5.45 4.64 -1.91 -2.98 113.55 128.63 2aff h SER 65 Ca -0.27 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2aff h SER 65 Cb 1.06 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2aff h SER 65 CO 1.21 1.08 0.02 0.74 -0.87 0.00 0.00 176.83 179.01 2aff h THR 66 N 0.09 1.15 -2.76 2.95 2.02 -1.98 -3.39 112.91 110.98 2aff h THR 66 Ca -0.06 -0.45 -0.58 0.00 0.77 0.00 0.00 66.41 66.09 2aff h THR 66 Cb 1.64 1.36 -0.39 0.00 -1.74 0.00 0.00 68.15 69.01 2aff h THR 66 CO 0.15 0.12 -0.80 0.20 0.37 0.00 0.00 175.52 175.56 2aff s ASN 67 N -5.44 3.30 0.43 4.18 0.01 -1.24 -5.13 114.94 111.05 2aff s ASN 67 Ca -0.14 -2.16 -0.24 0.00 -0.71 0.00 0.00 52.86 49.61 2aff s ASN 67 Cb 0.05 -0.60 -0.10 0.00 0.41 0.00 0.00 41.25 41.01 2aff s ASN 67 CO 0.68 -0.32 1.13 -2.65 -1.51 0.00 0.00 177.10 174.43 2aff n PRO 68 N 4.11 1.59 -2.48 -0.60 -0.02 -1.13 -4.73 135.00 131.74 2aff n PRO 68 Ca 0.08 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 2aff n PRO 68 Cb 0.37 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 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 -1.25 3.64 -0.11 3.45 2.01 -1.26 -4.85 115.64 117.27 2aff s THR 69 Ca 0.63 1.53 -0.07 0.00 0.31 0.00 0.00 61.69 64.10 2aff s THR 69 Cb -0.53 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 2aff s THR 69 CO 0.57 0.32 0.14 -1.10 -0.69 0.00 0.00 174.62 173.86 2aff s GLN 70 N -0.95 3.43 -0.02 4.92 -0.21 -0.98 -1.78 119.66 124.07 2aff s GLN 70 Ca 0.47 -0.15 0.03 0.00 0.02 0.00 0.00 55.36 55.73 2aff s GLN 70 Cb -0.31 -3.18 0.00 0.00 1.00 0.00 0.00 33.01 30.52 2aff s GLN 70 CO 0.38 0.77 -0.10 0.54 -2.12 0.00 0.00 175.29 174.76 2aff s VAL 71 N -1.05 0.85 -0.93 1.09 0.11 0.47 0.10 120.40 121.04 2aff s VAL 71 Ca 0.16 -0.41 -0.04 0.00 -2.93 0.00 0.00 61.98 58.77 2aff s VAL 71 Cb -0.12 -0.75 0.03 0.00 -1.53 0.00 0.00 36.38 34.01 2aff s VAL 71 CO 0.05 0.26 0.17 0.59 -3.33 0.00 0.00 175.10 172.84 2aff n ASN 72 N 3.20 -3.20 -0.73 3.54 3.02 0.32 0.19 115.26 121.61 2aff n ASN 72 Ca -0.17 0.04 -0.06 0.00 -0.03 0.00 0.00 54.58 54.35 2aff n ASN 72 Cb 0.54 -2.73 -0.00 0.00 -0.61 0.00 0.00 39.78 36.98 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 -0.86 0.14 2.82 7.41 0.00 -1.26 -5.04 105.19 108.40 2aff n GLY 73 Ca -0.07 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.72 0.03 0.29 1.61 0.01 0.50 -5.09 113.70 108.33 2aff s SER 74 Ca 0.00 0.05 -0.29 0.00 1.31 0.00 0.00 55.95 57.02 2aff s SER 74 Cb 0.00 -0.02 -0.10 0.00 0.21 0.00 0.00 66.02 66.11 2aff s SER 74 CO 0.00 -0.09 1.22 -0.69 0.41 0.00 0.00 173.24 174.09 2aff s VAL 75 N 0.71 3.12 -0.54 3.43 1.01 -1.26 0.18 120.40 127.04 2aff s VAL 75 Ca -0.06 1.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.98 2aff s VAL 75 Cb -0.08 -3.69 0.14 0.00 0.00 0.00 0.00 36.38 32.74 2aff s VAL 75 CO -0.02 0.24 0.36 0.27 0.00 0.00 0.00 175.10 175.95 2aff s ILE 76 N -0.94 3.61 0.41 2.22 -4.36 -0.73 -4.89 121.20 116.52 2aff s ILE 76 Ca 0.48 -2.57 0.16 0.00 -0.26 0.00 0.00 60.65 58.46 2aff s ILE 76 Cb -0.36 -3.40 0.17 0.00 1.25 0.00 0.00 42.46 40.13 2aff s ILE 76 CO 0.46 -0.81 1.95 0.44 0.24 0.00 0.00 174.94 177.21 2aff h ASP 77 N 7.48 0.00 -2.49 4.36 3.32 -1.95 -3.42 116.42 123.71 2aff h ASP 77 Ca -0.07 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.41 2aff h ASP 77 Cb 0.99 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.41 2aff h ASP 77 CO 0.72 0.24 -0.54 -1.61 -1.72 0.00 0.00 179.24 176.33 2aff s GLU 78 N -4.40 1.93 0.49 3.56 2.02 -1.26 -4.90 118.70 116.14 2aff s GLU 78 Ca -0.03 -2.17 -0.24 0.00 0.02 0.00 0.00 54.97 52.55 2aff s GLU 78 Cb 0.15 -0.91 -0.07 0.00 0.10 0.00 0.00 34.13 33.40 2aff s GLU 78 CO 0.69 -0.38 1.41 -2.30 0.02 0.00 0.00 175.26 174.71 2aff n PRO 79 N -0.95 2.05 -4.10 0.39 -0.02 -1.26 -4.68 135.00 126.44 2aff n PRO 79 Ca -0.08 0.74 -0.15 0.00 -2.02 0.00 0.00 63.50 61.99 2aff n PRO 79 Cb 0.66 -2.62 -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 0.54 1.98 0.00 0.00 175.50 178.02 2aff s VAL 80 N -1.23 0.35 -0.01 -1.45 0.11 -0.07 -4.99 120.40 113.13 2aff s VAL 80 Ca 0.65 -0.29 -0.29 0.00 -2.93 0.00 0.00 61.98 59.12 2aff s VAL 80 Cb -0.43 -0.32 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 2aff s VAL 80 CO 0.54 0.03 0.94 -0.13 -3.33 0.00 0.00 175.10 173.15 2aff s ARG 81 N -0.28 4.55 0.20 1.54 0.52 -1.26 -0.52 118.95 123.69 2aff s ARG 81 Ca 0.00 1.34 -0.25 0.00 -0.52 0.00 0.00 55.73 56.30 2aff s ARG 81 Cb -0.03 -3.45 -0.08 0.00 0.52 0.00 0.00 34.95 31.91 2aff s ARG 81 CO -0.00 -0.02 0.80 -0.51 0.02 0.00 0.00 175.30 175.59 2aff s LEU 82 N 0.93 4.53 0.08 2.53 1.43 -0.31 -4.93 118.68 122.94 2aff s LEU 82 Ca 0.50 1.65 0.05 0.00 -1.03 0.00 0.00 54.13 55.30 2aff s LEU 82 Cb -0.21 -3.45 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 2aff s LEU 82 CO 0.27 0.14 -0.14 -0.54 0.23 0.00 0.00 176.35 176.31 2aff s LYS 83 N -1.40 0.85 -0.19 1.70 1.02 -1.26 -4.46 119.74 115.99 2aff s LYS 83 Ca 0.39 -1.01 -0.36 0.00 0.02 0.00 0.00 55.97 55.00 2aff s LYS 83 Cb -0.22 -0.81 -0.13 0.00 -0.52 0.00 0.00 37.83 36.16 2aff s LYS 83 CO 0.25 0.17 1.88 1.58 -0.92 0.00 0.00 175.35 178.31 2aff n HIS 84 N 1.11 2.14 0.00 3.18 -0.00 -1.26 -0.35 115.22 120.04 2aff n HIS 84 Ca -0.20 0.22 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 2aff n HIS 84 Cb 0.55 -2.58 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 4.62 1.45 3.74 1.57 0.00 -0.83 -4.98 105.19 110.76 2aff n GLY 85 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.79 6.81 -0.11 1.61 1.01 0.53 -4.81 116.67 119.93 2aff s ASP 86 Ca 0.00 2.52 -0.00 0.00 0.71 0.00 0.00 52.55 55.78 2aff s ASP 86 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 2aff s ASP 86 CO 0.00 -0.58 -0.10 -0.69 0.21 0.00 0.00 175.17 174.01 2aff s VAL 87 N -0.10 3.34 -0.16 -1.27 1.01 -1.26 -1.78 120.40 120.18 2aff s VAL 87 Ca 0.56 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 2aff s VAL 87 Cb -0.39 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2aff s VAL 87 CO 0.42 0.54 0.05 -0.63 0.00 0.00 0.00 175.10 175.47 2aff s ILE 88 N -0.02 4.67 -0.12 2.22 1.01 -0.73 -0.52 121.20 127.71 2aff s ILE 88 Ca -0.02 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.57 2aff s ILE 88 Cb -0.14 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.26 2aff s ILE 88 CO 0.04 0.50 -0.22 -0.89 0.00 0.00 0.00 174.94 174.37 2aff s THR 89 N 0.05 2.16 -0.13 2.92 2.01 0.29 -0.02 115.64 122.93 2aff s THR 89 Ca 0.05 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.10 2aff s THR 89 Cb -0.12 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.55 2aff s THR 89 CO 0.01 0.55 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.67 2aff s ILE 90 N 0.53 1.84 0.00 1.82 1.01 0.57 -2.33 121.20 124.64 2aff s ILE 90 Ca -0.14 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.67 2aff s ILE 90 Cb -0.17 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.66 2aff s ILE 90 CO 0.04 0.51 0.00 -0.38 0.00 0.00 0.00 174.94 175.11 2aff n ILE 91 N 4.16 0.00 -0.52 2.92 2.08 -1.26 0.15 119.36 126.90 2aff n ILE 91 Ca -0.20 0.00 0.10 0.00 0.56 0.00 0.00 62.75 63.21 2aff n ILE 91 Cb 0.51 0.00 0.33 0.00 -0.75 0.00 0.00 39.64 39.73 2aff n ILE 91 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2aff n ASP 92 N 3.54 4.34 -4.15 4.38 8.00 -1.26 -4.95 116.55 126.46 2aff n ASP 92 Ca 0.00 -2.28 -0.18 0.00 0.71 0.00 0.00 54.79 53.04 2aff n ASP 92 Cb 0.00 -0.52 -0.12 0.00 -0.02 0.00 0.00 41.12 40.46 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2aff s ARG 93 N -1.53 0.79 0.07 -1.24 0.52 0.41 -4.27 118.95 113.70 2aff s ARG 93 Ca 0.48 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.84 2aff s ARG 93 Cb 0.29 -0.76 -0.03 0.00 0.52 0.00 0.00 34.95 34.97 2aff s ARG 93 CO 0.27 0.17 -0.08 -1.12 0.02 0.00 0.00 175.30 174.56 2aff s SER 94 N -1.58 1.04 -0.17 0.23 0.01 -1.26 0.21 113.70 112.18 2aff s SER 94 Ca -0.02 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 56.50 2aff s SER 94 Cb -0.09 0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.21 2aff s SER 94 CO 0.02 -0.30 -0.20 -0.36 0.41 0.00 0.00 173.24 172.81 2aff s PHE 95 N -2.30 2.70 0.08 2.43 0.40 0.98 -1.43 117.98 120.85 2aff s PHE 95 Ca -0.00 -1.57 -0.24 0.00 -0.60 0.00 0.00 56.93 54.51 2aff s PHE 95 Cb -0.04 -1.87 -0.06 0.00 0.51 0.00 0.00 43.02 41.55 2aff s PHE 95 CO -0.01 -0.78 0.74 1.03 0.70 0.00 0.00 175.22 176.90 2aff s ARG 96 N 1.26 4.48 -0.29 0.44 0.52 -0.65 -1.77 118.95 122.95 2aff s ARG 96 Ca 0.04 1.04 -0.15 0.00 -0.52 0.00 0.00 55.73 56.15 2aff s ARG 96 Cb -0.13 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 2aff s ARG 96 CO -0.12 0.41 0.35 -0.47 0.02 0.00 0.00 175.30 175.50 2aff s TYR 97 N -0.50 3.23 -0.14 -0.53 5.04 -0.73 -2.05 117.35 121.66 2aff s TYR 97 Ca 0.36 0.27 0.01 0.00 -2.44 0.00 0.00 57.07 55.28 2aff s TYR 97 Cb -0.21 -2.58 0.02 0.00 0.35 0.00 0.00 41.96 39.53 2aff s TYR 97 CO 0.23 -0.27 -0.18 -1.21 -1.34 0.00 0.00 175.55 172.78 2aff s GLU 98 N 2.03 2.59 -0.50 4.97 2.02 -0.64 -1.97 118.70 127.21 2aff s GLU 98 Ca 0.13 -0.69 -0.14 0.00 0.02 0.00 0.00 54.97 54.29 2aff s GLU 98 Cb -0.16 -2.21 0.11 0.00 0.10 0.00 0.00 34.13 31.97 2aff s GLU 98 CO 0.11 -0.12 0.43 1.21 0.02 0.00 0.00 175.26 176.90 2aff s ASN 99 N 1.12 6.06 0.00 -0.19 3.84 -1.26 -1.26 114.94 123.25 2aff s ASN 99 Ca -0.02 -1.65 0.28 0.00 0.21 0.00 0.00 52.86 51.68 2aff s ASN 99 Cb -0.14 -2.16 1.09 0.00 -0.55 0.00 0.00 41.25 39.49 2aff s ASN 99 CO -0.06 -0.75 1.77 -0.62 -2.79 0.00 0.00 177.10 174.65