#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 1.79 -2.94 0.52 5.66 -1.26 -4.95 114.28 113.11 2aff n THR 4 Ca 0.00 -2.76 -0.41 0.00 -3.05 0.00 0.00 64.05 57.83 2aff n THR 4 Cb 0.00 -0.03 -0.05 0.00 -1.55 0.00 0.00 70.33 68.71 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 -2.64 4.23 -0.03 1.09 0.52 -1.26 -2.07 118.95 118.80 2aff s ARG 5 Ca 0.36 0.90 0.05 0.00 -0.52 0.00 0.00 55.73 56.52 2aff s ARG 5 Cb 0.36 -3.60 -0.01 0.00 0.52 0.00 0.00 34.95 32.22 2aff s ARG 5 CO -0.08 -0.39 -0.17 1.03 0.02 0.00 0.00 175.30 175.72 2aff s ARG 6 N 2.38 1.56 -0.15 3.54 0.52 -0.11 -1.87 118.95 124.82 2aff s ARG 6 Ca 0.35 -0.59 -0.00 0.00 -0.52 0.00 0.00 55.73 54.96 2aff s ARG 6 Cb -0.16 -1.42 -0.01 0.00 0.52 0.00 0.00 34.95 33.88 2aff s ARG 6 CO 0.10 0.29 -0.13 -1.17 0.02 0.00 0.00 175.30 174.41 2aff s LEU 7 N -0.15 2.65 -0.14 2.53 2.96 -0.77 -1.55 118.68 124.20 2aff s LEU 7 Ca 0.01 -0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 2aff s LEU 7 Cb -0.09 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2aff s LEU 7 CO 0.01 0.12 0.05 -0.69 -1.32 0.00 0.00 176.35 174.52 2aff s VAL 8 N 0.61 4.68 -0.28 1.68 1.01 -0.75 0.54 120.40 127.89 2aff s VAL 8 Ca -0.08 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 2aff s VAL 8 Cb -0.16 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 2aff s VAL 8 CO 0.03 0.53 0.44 -0.89 0.00 0.00 0.00 175.10 175.21 2aff s THR 9 N -0.18 5.12 0.22 3.92 2.01 -0.86 -2.00 115.64 123.86 2aff s THR 9 Ca 0.07 0.60 -0.25 0.00 0.31 0.00 0.00 61.69 62.42 2aff s THR 9 Cb -0.12 -3.79 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 2aff s THR 9 CO 0.01 0.06 0.82 -0.63 -0.69 0.00 0.00 174.62 174.20 2aff s ILE 10 N 2.19 4.33 0.45 1.82 1.01 -1.04 -2.48 121.20 127.49 2aff s ILE 10 Ca 0.17 1.70 -0.05 0.00 0.00 0.00 0.00 60.65 62.47 2aff s ILE 10 Cb -0.16 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 2aff s ILE 10 CO 0.10 0.38 0.74 -0.54 0.00 0.00 0.00 174.94 175.62 2aff s LYS 11 N -1.50 3.56 0.53 2.79 1.02 0.90 -4.58 119.74 122.46 2aff s LYS 11 Ca 0.41 0.14 0.22 0.00 0.02 0.00 0.00 55.97 56.75 2aff s LYS 11 Cb -0.21 -2.43 1.36 0.00 -0.52 0.00 0.00 37.83 36.03 2aff s LYS 11 CO 0.26 -0.12 2.07 0.00 -0.92 0.00 0.00 175.35 176.64 2aff h ARG 12 N 0.46 0.00 -0.00 1.68 3.08 -1.88 0.42 114.38 118.15 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 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2aff h ARG 12 CO 0.62 0.00 -0.04 0.43 -1.07 0.00 0.00 179.97 179.91 2aff n SER 13 N -4.40 0.10 -0.19 7.04 7.64 -1.26 -4.88 113.62 117.67 2aff n SER 13 Ca 0.03 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2aff n SER 13 Cb 0.35 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 1.32 1.02 3.27 0.23 0.00 0.15 -5.08 105.19 106.09 2aff n GLY 14 Ca 0.13 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.38 2.21 0.06 1.61 1.01 -1.24 -4.83 120.40 116.84 2aff s VAL 15 Ca 0.00 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 2aff s VAL 15 Cb 0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 2aff s VAL 15 CO 0.00 0.56 1.12 -0.62 0.00 0.00 0.00 175.10 176.16 2aff s ASP 16 N 0.08 7.20 0.00 3.32 -1.08 -1.26 -0.07 116.67 124.86 2aff s ASP 16 Ca -0.10 1.91 0.00 0.00 -0.52 0.00 0.00 52.55 53.84 2aff s ASP 16 Cb -0.16 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.72 2aff s ASP 16 CO 0.06 -0.37 0.00 0.61 0.52 0.00 0.00 175.17 175.99 2aff n GLY 17 N 2.96 2.67 3.78 2.66 0.00 -1.03 -4.96 105.19 111.27 2aff n GLY 17 Ca 0.07 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 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 2.61 4.06 0.09 1.61 0.04 -1.26 -4.79 135.00 137.36 2aff s PRO 18 Ca 0.00 1.60 0.05 0.00 0.04 0.00 0.00 61.00 62.69 2aff s PRO 18 Cb 0.00 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 2aff s PRO 18 CO 0.00 -0.25 -0.01 -3.38 0.04 0.00 0.00 177.00 173.40 2aff s HIS 19 N -1.61 2.96 -0.29 0.56 -3.43 -1.26 -2.04 115.29 110.18 2aff s HIS 19 Ca 0.59 -0.04 0.03 0.00 -0.80 0.00 0.00 55.06 54.84 2aff s HIS 19 Cb -0.24 -1.52 0.08 0.00 -1.43 0.00 0.00 32.58 29.46 2aff s HIS 19 CO 0.30 0.48 -0.04 0.12 -2.00 0.00 0.00 174.74 173.59 2aff s PHE 20 N -1.31 3.40 -0.01 0.38 5.36 0.19 -4.97 117.98 121.01 2aff s PHE 20 Ca 0.25 -2.55 -0.30 0.00 -0.96 0.00 0.00 56.93 53.37 2aff s PHE 20 Cb -0.12 -2.29 -0.05 0.00 -0.34 0.00 0.00 43.02 40.23 2aff s PHE 20 CO 0.18 -0.90 1.29 -1.25 -1.46 0.00 0.00 175.22 173.07 2aff s PRO 21 N 1.04 4.33 -0.30 10.12 0.04 -1.26 -1.85 135.00 147.12 2aff s PRO 21 Ca -0.01 1.81 -0.02 0.00 0.04 0.00 0.00 61.00 62.82 2aff s PRO 21 Cb -0.20 -3.53 0.12 0.00 0.04 0.00 0.00 34.50 30.93 2aff s PRO 21 CO -0.06 -0.48 2.35 1.28 0.04 0.00 0.00 177.00 180.13 2aff n LEU 22 N 5.08 6.28 0.29 -3.56 4.77 -0.78 -4.43 117.00 124.65 2aff n LEU 22 Ca 0.12 -3.43 0.19 0.00 -0.03 0.00 0.00 56.01 52.86 2aff n LEU 22 Cb 0.45 -1.14 0.87 0.00 -2.33 0.00 0.00 43.42 41.27 2aff n LEU 22 CO 0.57 1.38 1.05 0.77 -1.33 0.00 0.00 177.39 179.83 2aff h SER 23 N 1.97 0.00 -3.89 -1.43 4.64 -1.91 -3.43 113.55 109.50 2aff h SER 23 Ca 0.29 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.11 2aff h SER 23 Cb 0.91 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.03 2aff h SER 23 CO 0.69 0.00 0.47 -0.76 -0.87 0.00 0.00 176.83 176.35 2aff s LEU 24 N -6.02 4.34 0.60 5.97 1.43 -1.26 -4.91 118.68 118.82 2aff s LEU 24 Ca -0.01 2.23 0.30 0.00 -1.03 0.00 0.00 54.13 55.63 2aff s LEU 24 Cb 0.10 -3.88 1.84 0.00 0.03 0.00 0.00 46.19 44.28 2aff s LEU 24 CO 0.48 -0.38 2.24 0.77 0.23 0.00 0.00 176.35 179.68 2aff h SER 25 N 3.14 0.00 -3.64 2.29 4.64 -1.89 -3.42 113.55 114.67 2aff h SER 25 Ca -0.48 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.51 2aff h SER 25 Cb 1.22 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.99 2aff h SER 25 CO 0.64 0.00 -0.75 -0.89 -0.87 0.00 0.00 176.83 174.96 2aff s THR 26 N -4.60 0.29 -0.12 2.95 2.01 -1.26 -1.03 115.64 113.87 2aff s THR 26 Ca -0.05 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 61.91 2aff s THR 26 Cb 0.15 -0.31 0.02 0.00 0.01 0.00 0.00 72.50 72.37 2aff s THR 26 CO 0.54 0.13 -0.13 0.00 -0.69 0.00 0.00 174.62 174.47 2aff s LEU 28 N 1.33 2.29 -0.08 0.00 2.96 -1.26 -0.34 118.68 123.58 2aff s LEU 28 Ca 0.00 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.42 2aff s LEU 28 Cb -0.14 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2aff s LEU 28 CO -0.07 0.16 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.74 2aff s PHE 29 N 0.36 3.07 -0.44 5.38 0.40 0.16 -0.67 117.98 126.24 2aff s PHE 29 Ca -0.16 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 2aff s PHE 29 Cb -0.17 -1.77 0.00 0.00 0.51 0.00 0.00 43.02 41.59 2aff s PHE 29 CO 0.08 0.40 0.00 0.41 0.70 0.00 0.00 175.22 176.80 2aff n GLY 30 N 2.23 -1.25 0.65 4.36 0.00 -0.85 -2.51 105.19 107.82 2aff n GLY 30 Ca -0.18 -0.85 0.11 0.00 0.00 0.00 0.00 46.02 45.10 2aff n GLY 30 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2aff n ARG 31 N -0.00 1.58 -2.03 1.61 1.85 -0.67 -1.43 116.66 117.57 2aff n ARG 31 Ca 0.00 -1.30 -0.29 0.00 -1.00 0.00 0.00 57.85 55.26 2aff n ARG 31 Cb 0.00 -1.47 0.05 0.00 -1.05 0.00 0.00 32.46 30.00 2aff n ARG 31 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2aff s GLY 32 N -2.31 1.62 0.00 2.89 0.00 -1.26 -4.69 107.32 103.57 2aff s GLY 32 Ca 0.21 -0.54 0.22 0.00 0.00 0.00 0.00 44.72 44.61 2aff s GLY 32 CO 0.48 -0.16 1.45 4.51 0.00 0.00 0.00 173.10 179.38 2aff n ILE 33 N -2.98 0.46 1.04 0.90 3.06 -1.26 -3.72 119.36 116.87 2aff n ILE 33 Ca 0.07 -0.64 0.11 0.00 -2.50 0.00 0.00 62.75 59.79 2aff n ILE 33 Cb 0.58 0.71 0.09 0.00 0.54 0.00 0.00 39.64 41.56 2aff n ILE 33 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 2aff n GLU 34 N 1.11 0.42 -3.41 9.51 2.13 -1.26 -4.92 120.64 124.22 2aff n GLU 34 Ca 0.18 -0.31 -0.31 0.00 0.66 0.00 0.00 57.16 57.38 2aff n GLU 34 Cb 0.51 -1.49 -0.05 0.00 0.27 0.00 0.00 31.44 30.68 2aff n GLU 34 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2aff h ASP 36 N 2.35 0.27 -3.34 0.00 3.32 -1.25 -3.40 116.42 114.38 2aff h ASP 36 Ca -0.47 -0.02 -0.53 0.00 0.02 0.00 0.00 57.03 56.03 2aff h ASP 36 Cb 1.17 -0.07 -0.34 0.00 0.22 0.00 0.00 39.33 40.31 2aff h ASP 36 CO 0.69 0.24 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.00 2aff s ILE 37 N -5.22 1.19 -0.08 0.35 1.01 -0.36 -4.96 121.20 113.14 2aff s ILE 37 Ca -0.07 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2aff s ILE 37 Cb 0.17 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 2aff s ILE 37 CO 0.71 0.38 -0.13 -0.60 0.00 0.00 0.00 174.94 175.30 2aff s ARG 38 N 0.91 2.82 -0.10 2.79 3.52 -1.26 -2.01 118.95 125.63 2aff s ARG 38 Ca -0.10 -0.67 0.03 0.00 -0.13 0.00 0.00 55.73 54.87 2aff s ARG 38 Cb -0.15 -2.50 -0.01 0.00 -1.56 0.00 0.00 34.95 30.74 2aff s ARG 38 CO 0.01 0.50 -0.21 0.42 -0.81 0.00 0.00 175.30 175.21 2aff s ILE 39 N -0.40 2.34 0.00 4.11 1.01 -0.52 -4.99 121.20 122.75 2aff s ILE 39 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.77 2aff s ILE 39 Cb -0.12 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.43 2aff s ILE 39 CO 0.02 0.55 1.00 0.00 0.00 0.00 0.00 174.94 176.52 2aff n GLN 40 N 3.45 0.65 -4.42 2.79 6.02 -1.26 -4.49 117.38 120.13 2aff n GLN 40 Ca -0.19 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.47 2aff n GLN 40 Cb 0.53 -1.17 -0.13 0.00 1.02 0.00 0.00 30.24 30.49 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 3.15 0.00 1.08 1.43 -1.26 -4.99 118.68 118.09 2aff s LEU 41 Ca 0.00 -0.18 0.19 0.00 -1.03 0.00 0.00 54.13 53.11 2aff s LEU 41 Cb 0.00 -1.76 0.91 0.00 0.03 0.00 0.00 46.19 45.37 2aff s LEU 41 CO 0.00 0.15 1.58 -0.81 0.23 0.00 0.00 176.35 177.50 2aff n PRO 42 N 3.64 0.20 -0.24 1.29 -0.04 -1.26 -2.40 135.00 136.19 2aff n PRO 42 Ca -0.17 0.13 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 2aff n PRO 42 Cb 0.52 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.34 0.72 -3.43 0.52 0.24 -1.26 -4.93 118.33 108.84 2aff n VAL 43 Ca 0.08 -0.86 -0.38 0.00 -2.04 0.00 0.00 64.34 61.14 2aff n VAL 43 Cb 0.17 0.76 -0.06 0.00 -1.47 0.00 0.00 33.84 33.24 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 -1.21 5.15 0.81 3.34 1.01 -1.01 -4.95 120.40 123.54 2aff s VAL 44 Ca 0.39 0.83 -0.10 0.00 0.00 0.00 0.00 61.98 63.09 2aff s VAL 44 Cb 0.21 -3.74 0.08 0.00 0.00 0.00 0.00 36.38 32.93 2aff s VAL 44 CO 0.29 0.44 1.10 -0.44 0.00 0.00 0.00 175.10 176.49 2aff s SER 45 N -0.10 4.14 0.19 3.32 0.01 -1.26 -4.21 113.70 115.79 2aff s SER 45 Ca 0.23 1.86 -0.10 0.00 1.31 0.00 0.00 55.95 59.26 2aff s SER 45 Cb -0.15 -2.51 0.11 0.00 0.21 0.00 0.00 66.02 63.68 2aff s SER 45 CO 0.10 -2.27 1.74 0.11 0.41 0.00 0.00 173.24 173.33 2aff h LYS 46 N -1.29 1.04 0.00 12.44 1.57 -1.94 -1.78 116.57 126.61 2aff h LYS 46 Ca -0.44 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 2aff h LYS 46 Cb 1.24 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2aff h LYS 46 CO 0.50 0.88 -1.23 1.04 -0.57 0.00 0.00 179.45 180.07 2aff n GLN 47 N -4.36 0.57 0.00 3.15 1.13 -1.26 -4.24 117.38 112.37 2aff n GLN 47 Ca 0.05 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2aff n GLN 47 Cb 0.19 -1.13 0.00 0.00 0.11 0.00 0.00 30.24 29.41 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 -1.69 0.00 -4.45 1.08 -0.00 -1.16 -4.01 115.22 104.99 2aff n HIS 48 Ca -0.01 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.95 2aff n HIS 48 Cb 0.17 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.88 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 0.30 1.91 -0.11 0.00 2.20 -0.65 0.37 119.74 123.75 2aff s LYS 50 Ca -0.05 -0.48 0.01 0.00 -0.36 0.00 0.00 55.97 55.08 2aff s LYS 50 Cb -0.10 -1.56 -0.02 0.00 -1.51 0.00 0.00 37.83 34.64 2aff s LYS 50 CO 0.01 0.04 -0.13 0.42 -0.36 0.00 0.00 175.35 175.33 2aff s ILE 51 N 0.65 3.08 -0.17 5.43 1.01 0.54 0.12 121.20 131.85 2aff s ILE 51 Ca -0.15 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 2aff s ILE 51 Cb -0.16 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 2aff s ILE 51 CO 0.04 0.54 -0.06 -1.61 0.00 0.00 0.00 174.94 173.85 2aff s GLU 52 N 0.10 3.50 -0.32 2.79 2.02 0.11 -1.91 118.70 125.00 2aff s GLU 52 Ca -0.06 -0.60 -0.10 0.00 0.02 0.00 0.00 54.97 54.24 2aff s GLU 52 Cb -0.15 -2.89 -0.00 0.00 0.10 0.00 0.00 34.13 31.19 2aff s GLU 52 CO 0.05 0.08 0.16 0.42 0.02 0.00 0.00 175.26 175.98 2aff s ILE 53 N 0.76 4.62 0.01 -1.63 1.01 -0.20 -0.67 121.20 125.10 2aff s ILE 53 Ca -0.02 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.25 2aff s ILE 53 Cb -0.15 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 2aff s ILE 53 CO 0.02 0.04 -0.21 -1.00 0.00 0.00 0.00 174.94 173.79 2aff s HIS 54 N 1.61 2.48 0.50 3.97 3.76 -0.13 -4.87 115.29 122.61 2aff s HIS 54 Ca 0.04 -0.32 0.41 0.00 -0.15 0.00 0.00 55.06 55.04 2aff s HIS 54 Cb -0.17 -1.49 1.61 0.00 1.11 0.00 0.00 32.58 33.63 2aff s HIS 54 CO 0.06 0.14 1.59 1.49 -0.85 0.00 0.00 174.74 177.17 2aff h GLU 55 N 5.00 0.01 0.18 1.40 4.81 -2.02 0.21 114.58 124.18 2aff h GLU 55 Ca -0.46 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 2aff h GLU 55 Cb 1.14 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2aff h GLU 55 CO 0.47 0.01 -0.09 0.37 -0.73 0.00 0.00 179.01 179.04 2aff h GLN 56 N 0.01 -0.24 0.00 1.92 5.75 -2.01 -3.49 115.11 117.06 2aff h GLN 56 Ca 0.90 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 59.41 2aff h GLN 56 Cb 3.24 0.05 0.00 0.00 1.07 0.00 0.00 27.48 31.84 2aff h GLN 56 CO -0.24 -0.16 0.00 -1.91 -2.65 0.00 0.00 178.83 173.87 2aff n GLU 57 N -2.71 0.00 -4.30 1.69 4.07 0.73 -5.15 120.64 114.97 2aff n GLU 57 Ca -0.03 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.73 2aff n GLU 57 Cb 0.10 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.35 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 -1.18 2.90 -0.12 4.31 0.00 -1.26 -0.95 121.76 125.46 2aff s ALA 58 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2aff s ALA 58 Cb 0.00 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 2aff s ALA 58 CO 0.00 0.01 -0.15 0.42 0.00 0.00 0.00 175.76 176.04 2aff s ILE 59 N 0.72 2.88 -0.21 0.00 1.01 0.15 0.13 121.20 125.89 2aff s ILE 59 Ca -0.02 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 2aff s ILE 59 Cb -0.15 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 2aff s ILE 59 CO 0.02 0.54 0.11 -0.22 0.00 0.00 0.00 174.94 175.39 2aff s LEU 60 N 0.22 4.00 -0.10 2.97 2.96 0.30 0.08 118.68 129.12 2aff s LEU 60 Ca -0.10 0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 53.93 2aff s LEU 60 Cb -0.16 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 2aff s LEU 60 CO 0.06 0.13 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.14 2aff s HIS 61 N 0.66 2.92 -0.52 5.38 3.76 0.31 -1.36 115.29 126.45 2aff s HIS 61 Ca 0.06 -0.19 -0.19 0.00 -0.15 0.00 0.00 55.06 54.60 2aff s HIS 61 Cb -0.12 -1.79 0.07 0.00 1.11 0.00 0.00 32.58 31.84 2aff s HIS 61 CO 0.01 0.13 0.62 1.21 -0.85 0.00 0.00 174.74 175.86 2aff s ASN 62 N -0.29 6.21 0.00 1.40 3.84 -1.26 -1.64 114.94 123.19 2aff s ASN 62 Ca 0.04 -1.05 0.21 0.00 0.21 0.00 0.00 52.86 52.27 2aff s ASN 62 Cb -0.13 -2.28 -0.18 0.00 -0.55 0.00 0.00 41.25 38.11 2aff s ASN 62 CO 0.02 -0.91 0.94 0.49 -2.79 0.00 0.00 177.10 174.86 2aff n PHE 63 N 6.10 0.00 -2.02 0.43 3.01 -0.23 -4.87 117.46 119.88 2aff n PHE 63 Ca -0.08 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.99 2aff n PHE 63 Cb 0.45 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.88 2aff n PHE 63 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2aff s SER 64 N -2.97 5.41 0.14 4.37 0.01 -0.35 -4.59 113.70 115.73 2aff s SER 64 Ca 0.09 0.63 0.24 0.00 1.31 0.00 0.00 55.95 58.21 2aff s SER 64 Cb 0.16 -2.53 0.26 0.00 0.21 0.00 0.00 66.02 64.12 2aff s SER 64 CO 0.84 -2.21 1.25 0.77 0.41 0.00 0.00 173.24 174.31 2aff h SER 65 N 14.55 0.00 0.08 2.44 4.64 -1.91 -3.30 113.55 130.05 2aff h SER 65 Ca -0.28 -0.18 -0.34 0.00 -0.47 0.00 0.00 61.79 60.52 2aff h SER 65 Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 2aff h SER 65 CO 1.17 0.09 -1.86 0.41 -0.87 0.00 0.00 176.83 175.77 2aff n THR 66 N -2.23 1.70 -3.54 2.95 -1.04 -1.26 -4.85 114.28 106.02 2aff n THR 66 Ca 0.03 -0.49 -0.26 0.00 -2.04 0.00 0.00 64.05 61.29 2aff n THR 66 Cb 0.46 -1.80 -0.15 0.00 -1.82 0.00 0.00 70.33 67.02 2aff n THR 66 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2aff s ASN 67 N -6.99 2.84 0.48 8.00 0.01 -1.26 -5.14 114.94 112.89 2aff s ASN 67 Ca -0.25 -0.97 -0.23 0.00 -0.71 0.00 0.00 52.86 50.70 2aff s ASN 67 Cb 0.07 -0.17 -0.08 0.00 0.41 0.00 0.00 41.25 41.48 2aff s ASN 67 CO 0.71 -0.40 1.18 -2.65 -1.51 0.00 0.00 177.10 174.43 2aff n PRO 68 N 5.27 1.58 -2.43 -0.60 -0.02 -1.24 -4.65 135.00 132.91 2aff n PRO 68 Ca -0.06 0.57 -0.40 0.00 -2.02 0.00 0.00 63.50 61.59 2aff n PRO 68 Cb 0.45 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.29 3.38 -0.12 3.45 2.01 -1.26 -4.84 115.64 116.97 2aff s THR 69 Ca 0.66 1.39 -0.06 0.00 0.31 0.00 0.00 61.69 63.99 2aff s THR 69 Cb -0.48 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 2aff s THR 69 CO 0.54 0.33 0.11 -1.10 -0.69 0.00 0.00 174.62 173.81 2aff s GLN 70 N -1.50 3.39 -0.02 4.92 -0.21 -0.41 -1.82 119.66 123.99 2aff s GLN 70 Ca 0.45 -0.18 0.01 0.00 0.02 0.00 0.00 55.36 55.66 2aff s GLN 70 Cb -0.33 -3.13 0.01 0.00 1.00 0.00 0.00 33.01 30.57 2aff s GLN 70 CO 0.43 0.75 -0.03 0.08 -2.12 0.00 0.00 175.29 174.39 2aff s VAL 71 N -0.95 0.34 -1.35 1.09 1.01 0.52 0.20 120.40 121.26 2aff s VAL 71 Ca 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 2aff s VAL 71 Cb -0.12 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 35.92 2aff s VAL 71 CO 0.03 0.15 0.24 0.59 0.00 0.00 0.00 175.10 176.11 2aff n ASN 72 N 3.65 -4.72 -0.74 3.32 5.03 -0.84 -0.36 115.26 120.60 2aff n ASN 72 Ca -0.21 -0.07 -0.07 0.00 0.87 0.00 0.00 54.58 55.10 2aff n ASN 72 Cb 0.54 -3.92 -0.01 0.00 -1.02 0.00 0.00 39.78 35.37 2aff n ASN 72 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2aff n GLY 73 N -1.08 0.16 3.25 7.41 0.00 -1.26 -5.04 105.19 108.63 2aff n GLY 73 Ca -0.13 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.25 0.47 1.61 0.01 0.51 -5.11 113.70 108.22 2aff s SER 74 Ca 0.00 0.26 -0.21 0.00 1.31 0.00 0.00 55.95 57.31 2aff s SER 74 Cb 0.00 0.42 -0.09 0.00 0.21 0.00 0.00 66.02 66.56 2aff s SER 74 CO 0.00 -0.37 1.02 0.68 0.41 0.00 0.00 173.24 174.99 2aff s VAL 75 N -0.94 3.88 -0.37 3.43 -7.23 -1.26 0.19 120.40 118.09 2aff s VAL 75 Ca -0.10 1.20 0.04 0.00 -1.81 0.00 0.00 61.98 61.31 2aff s VAL 75 Cb -0.04 -3.50 0.11 0.00 0.56 0.00 0.00 36.38 33.50 2aff s VAL 75 CO 0.03 -0.22 0.10 0.27 -0.31 0.00 0.00 175.10 174.97 2aff s ILE 76 N -1.97 2.23 0.22 -0.62 -4.36 -0.76 -4.86 121.20 111.08 2aff s ILE 76 Ca 0.65 -2.47 0.27 0.00 -0.26 0.00 0.00 60.65 58.84 2aff s ILE 76 Cb -0.16 -2.63 0.28 0.00 1.25 0.00 0.00 42.46 41.20 2aff s ILE 76 CO 0.20 -0.65 1.93 0.44 0.24 0.00 0.00 174.94 177.10 2aff h ASP 77 N 7.41 0.00 -3.15 4.36 3.32 -1.95 -3.42 116.42 122.99 2aff h ASP 77 Ca -0.05 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.45 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 0.55 0.15 -0.52 -1.61 -1.72 0.00 0.00 179.24 176.09 2aff s GLU 78 N -3.80 1.90 0.55 3.56 2.02 -1.26 -4.86 118.70 116.81 2aff s GLU 78 Ca -0.00 -2.15 -0.21 0.00 0.02 0.00 0.00 54.97 52.62 2aff s GLU 78 Cb 0.11 -0.63 -0.05 0.00 0.10 0.00 0.00 34.13 33.66 2aff s GLU 78 CO 0.60 -0.45 1.34 -2.14 0.02 0.00 0.00 175.26 174.63 2aff s PRO 79 N -3.73 3.12 -0.05 0.39 0.02 -1.26 -4.56 135.00 128.93 2aff s PRO 79 Ca 0.25 2.20 -0.04 0.00 0.02 0.00 0.00 61.00 63.42 2aff s PRO 79 Cb 0.03 -2.23 0.02 0.00 0.02 0.00 0.00 34.50 32.34 2aff s PRO 79 CO 0.14 -1.20 0.13 0.54 -0.33 0.00 0.00 177.00 176.29 2aff s VAL 80 N -1.32 -0.00 0.12 3.83 0.11 -0.46 -4.99 120.40 117.68 2aff s VAL 80 Ca 0.72 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.49 2aff s VAL 80 Cb -0.40 -0.20 -0.07 0.00 -1.53 0.00 0.00 36.38 34.19 2aff s VAL 80 CO 0.46 0.01 1.15 -0.13 -3.33 0.00 0.00 175.10 173.26 2aff s ARG 81 N 0.18 4.51 -0.11 1.54 0.52 -1.26 -0.54 118.95 123.80 2aff s ARG 81 Ca -0.01 1.74 -0.21 0.00 -0.52 0.00 0.00 55.73 56.74 2aff s ARG 81 Cb -0.02 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 2aff s ARG 81 CO -0.00 -0.09 0.59 -0.51 0.02 0.00 0.00 175.30 175.31 2aff s LEU 82 N 0.30 4.27 0.22 2.53 1.43 0.34 -4.90 118.68 122.87 2aff s LEU 82 Ca 0.54 0.98 0.10 0.00 -1.03 0.00 0.00 54.13 54.72 2aff s LEU 82 Cb -0.29 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 2aff s LEU 82 CO 0.32 -0.09 -0.15 -0.54 0.23 0.00 0.00 176.35 176.12 2aff s LYS 83 N 0.88 1.83 -0.10 1.70 -0.14 -1.26 -4.25 119.74 118.40 2aff s LYS 83 Ca 0.31 -1.47 -0.33 0.00 -1.36 0.00 0.00 55.97 53.12 2aff s LYS 83 Cb -0.16 -1.98 -0.11 0.00 -1.68 0.00 0.00 37.83 33.90 2aff s LYS 83 CO 0.14 0.39 1.95 1.58 -0.76 0.00 0.00 175.35 178.65 2aff n HIS 84 N -0.13 2.28 0.00 3.18 -0.00 -1.26 -0.71 115.22 118.58 2aff n HIS 84 Ca -0.10 -0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 2aff n HIS 84 Cb 0.57 -2.69 0.00 0.00 -0.00 0.00 0.00 29.99 27.87 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 4.71 2.19 3.70 1.57 0.00 -0.89 -5.00 105.19 111.48 2aff n GLY 85 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.79 6.65 -0.13 1.61 -1.08 0.11 -4.78 116.67 117.25 2aff s ASP 86 Ca 0.00 2.48 -0.03 0.00 -0.52 0.00 0.00 52.55 54.49 2aff s ASP 86 Cb 0.00 -2.58 -0.03 0.00 -1.46 0.00 0.00 42.92 38.85 2aff s ASP 86 CO 0.00 -0.82 -0.04 -0.69 0.52 0.00 0.00 175.17 174.14 2aff s VAL 87 N 1.86 3.89 -0.19 1.11 1.01 -1.26 -1.79 120.40 125.03 2aff s VAL 87 Ca 0.70 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 2aff s VAL 87 Cb -0.40 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 2aff s VAL 87 CO 0.31 0.53 0.11 -0.63 0.00 0.00 0.00 175.10 175.42 2aff s ILE 88 N -0.00 5.24 -0.14 2.22 1.01 -0.46 -1.99 121.20 127.08 2aff s ILE 88 Ca 0.01 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.80 2aff s ILE 88 Cb -0.13 -3.38 0.02 0.00 0.01 0.00 0.00 42.46 38.98 2aff s ILE 88 CO 0.03 0.46 -0.18 -0.89 0.00 0.00 0.00 174.94 174.35 2aff s THR 89 N 0.28 1.79 -0.17 2.92 2.01 0.54 -0.15 115.64 122.86 2aff s THR 89 Ca 0.07 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 2aff s THR 89 Cb -0.11 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 2aff s THR 89 CO -0.01 0.50 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.68 2aff s ILE 90 N 1.12 3.07 0.00 1.82 1.01 0.50 -1.29 121.20 127.42 2aff s ILE 90 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.01 2aff s ILE 90 Cb -0.14 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.99 2aff s ILE 90 CO -0.06 0.49 0.00 -0.38 0.00 0.00 0.00 174.94 174.98 2aff n ILE 91 N 4.18 0.00 0.00 2.92 2.08 -1.26 0.31 119.36 127.59 2aff n ILE 91 Ca -0.19 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.13 2aff n ILE 91 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.41 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2aff n ASP 92 N 2.18 1.51 -4.62 4.38 2.03 -1.26 -5.01 116.55 115.77 2aff n ASP 92 Ca 0.00 -1.51 -0.34 0.00 0.52 0.00 0.00 54.79 53.46 2aff n ASP 92 Cb 0.00 -0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 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 -0.51 3.39 0.02 -0.67 1.81 0.93 -4.83 118.95 119.09 2aff s ARG 93 Ca 0.00 -0.43 0.04 0.00 -1.72 0.00 0.00 55.73 53.62 2aff s ARG 93 Cb 0.00 -2.91 -0.02 0.00 -0.45 0.00 0.00 34.95 31.57 2aff s ARG 93 CO 0.00 0.48 -0.11 0.45 -0.68 0.00 0.00 175.30 175.44 2aff s SER 94 N -0.26 1.30 -0.16 0.23 0.15 -1.26 0.19 113.70 113.89 2aff s SER 94 Ca 0.06 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.36 2aff s SER 94 Cb -0.12 -0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.12 2aff s SER 94 CO 0.02 0.03 -0.16 -0.36 1.20 0.00 0.00 173.24 173.97 2aff s PHE 95 N -0.67 2.34 -0.10 3.44 0.40 0.79 -2.50 117.98 121.69 2aff s PHE 95 Ca 0.01 -1.33 -0.25 0.00 -0.60 0.00 0.00 56.93 54.75 2aff s PHE 95 Cb -0.06 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 2aff s PHE 95 CO 0.00 -0.70 0.81 0.50 0.70 0.00 0.00 175.22 176.53 2aff s ARG 96 N 1.41 4.40 -0.17 0.44 3.52 -0.85 -1.35 118.95 126.35 2aff s ARG 96 Ca 0.04 1.04 -0.14 0.00 -0.13 0.00 0.00 55.73 56.54 2aff s ARG 96 Cb -0.13 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 2aff s ARG 96 CO -0.11 -0.12 0.32 -0.47 -0.81 0.00 0.00 175.30 174.11 2aff s TYR 97 N 1.40 3.44 -0.06 5.12 5.04 -0.74 -1.81 117.35 129.74 2aff s TYR 97 Ca 0.40 0.60 -0.02 0.00 -2.44 0.00 0.00 57.07 55.61 2aff s TYR 97 Cb -0.18 -2.38 0.04 0.00 0.35 0.00 0.00 41.96 39.78 2aff s TYR 97 CO 0.18 0.18 0.12 -1.21 -1.34 0.00 0.00 175.55 173.48 2aff s GLU 98 N 0.65 0.05 -0.39 4.97 2.02 -0.59 -2.10 118.70 123.31 2aff s GLU 98 Ca 0.17 0.36 -0.06 0.00 0.02 0.00 0.00 54.97 55.45 2aff s GLU 98 Cb -0.13 -0.22 0.07 0.00 0.10 0.00 0.00 34.13 33.96 2aff s GLU 98 CO 0.05 -0.19 0.18 -0.80 0.02 0.00 0.00 175.26 174.53 2aff s ASN 99 N 1.31 5.39 0.00 -0.19 0.01 -1.26 -0.93 114.94 119.27 2aff s ASN 99 Ca -0.07 -1.53 0.00 0.00 -0.71 0.00 0.00 52.86 50.55 2aff s ASN 99 Cb -0.12 -1.89 0.00 0.00 0.41 0.00 0.00 41.25 39.65 2aff s ASN 99 CO -0.05 -0.46 0.00 1.21 -1.51 0.00 0.00 177.10 176.28