#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 0.60 -2.82 0.52 5.66 -1.26 -4.88 114.28 112.10 2aff n THR 4 Ca 0.00 -1.10 -0.40 0.00 -3.05 0.00 0.00 64.05 59.49 2aff n THR 4 Cb 0.00 0.44 -0.05 0.00 -1.55 0.00 0.00 70.33 69.17 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 -0.89 4.65 -0.01 1.09 0.52 -1.22 -4.21 118.95 118.88 2aff s ARG 5 Ca 0.21 1.33 0.04 0.00 -0.52 0.00 0.00 55.73 56.78 2aff s ARG 5 Cb 0.21 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 32.32 2aff s ARG 5 CO -0.06 0.30 -0.12 1.03 0.02 0.00 0.00 175.30 176.47 2aff s ARG 6 N -0.25 0.99 -0.09 3.54 0.52 0.36 -1.67 118.95 122.35 2aff s ARG 6 Ca 0.43 -0.46 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 2aff s ARG 6 Cb -0.23 -0.96 -0.01 0.00 0.52 0.00 0.00 34.95 34.27 2aff s ARG 6 CO 0.28 0.26 -0.19 -1.17 0.02 0.00 0.00 175.30 174.50 2aff s LEU 7 N -0.34 2.39 -0.15 2.53 2.96 -0.84 -1.60 118.68 123.63 2aff s LEU 7 Ca 0.04 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.52 2aff s LEU 7 Cb -0.05 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 2aff s LEU 7 CO -0.00 0.22 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.52 2aff s VAL 8 N -0.02 3.85 -0.34 1.68 1.01 -0.78 0.11 120.40 125.92 2aff s VAL 8 Ca -0.06 -0.38 -0.21 0.00 0.00 0.00 0.00 61.98 61.33 2aff s VAL 8 Cb -0.15 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 2aff s VAL 8 CO 0.05 0.51 0.66 -0.89 0.00 0.00 0.00 175.10 175.43 2aff s THR 9 N 0.24 4.88 0.23 3.92 2.01 -0.89 -2.00 115.64 124.03 2aff s THR 9 Ca -0.03 0.74 -0.23 0.00 0.31 0.00 0.00 61.69 62.49 2aff s THR 9 Cb -0.14 -4.08 -0.09 0.00 0.01 0.00 0.00 72.50 68.21 2aff s THR 9 CO 0.03 -0.27 0.79 -0.63 -0.69 0.00 0.00 174.62 173.85 2aff s ILE 10 N 2.75 4.43 0.39 1.82 1.01 -0.60 -2.45 121.20 128.55 2aff s ILE 10 Ca 0.26 1.52 -0.10 0.00 0.00 0.00 0.00 60.65 62.34 2aff s ILE 10 Cb -0.14 -3.97 -0.06 0.00 0.01 0.00 0.00 42.46 38.30 2aff s ILE 10 CO 0.14 0.27 0.74 -0.54 0.00 0.00 0.00 174.94 175.55 2aff s LYS 11 N -1.79 3.75 0.57 2.79 1.02 0.70 -4.36 119.74 122.42 2aff s LYS 11 Ca 0.43 0.40 0.29 0.00 0.02 0.00 0.00 55.97 57.11 2aff s LYS 11 Cb -0.19 -2.42 1.48 0.00 -0.52 0.00 0.00 37.83 36.19 2aff s LYS 11 CO 0.23 -0.01 1.93 0.00 -0.92 0.00 0.00 175.35 176.57 2aff h ARG 12 N 1.26 0.00 -0.00 1.68 3.08 -1.89 1.41 114.38 119.91 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 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2aff h ARG 12 CO 0.64 0.00 -0.04 -1.13 -1.07 0.00 0.00 179.97 178.37 2aff n SER 13 N -3.89 0.12 -0.25 7.04 3.41 -1.26 -4.90 113.62 113.89 2aff n SER 13 Ca 0.09 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2aff n SER 13 Cb 0.67 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aff n GLY 14 N 1.32 0.93 3.27 5.00 0.00 0.48 -5.08 105.19 111.11 2aff n GLY 14 Ca 0.13 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.50 1.99 -0.16 1.61 1.01 -1.23 -4.83 120.40 116.29 2aff s VAL 15 Ca 0.00 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 2aff s VAL 15 Cb 0.00 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 2aff s VAL 15 CO 0.00 0.56 1.19 -0.62 0.00 0.00 0.00 175.10 176.23 2aff s ASP 16 N -0.31 7.01 0.00 3.32 -1.08 -1.26 -0.21 116.67 124.13 2aff s ASP 16 Ca 0.01 1.64 0.00 0.00 -0.52 0.00 0.00 52.55 53.68 2aff s ASP 16 Cb -0.12 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 2aff s ASP 16 CO 0.02 -0.69 0.00 0.61 0.52 0.00 0.00 175.17 175.63 2aff n GLY 17 N 3.48 1.69 3.79 2.66 0.00 -1.02 -4.98 105.19 110.81 2aff n GLY 17 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 3.38 3.89 0.35 1.61 0.04 -1.26 -4.79 135.00 138.21 2aff s PRO 18 Ca 0.00 1.42 0.07 0.00 0.04 0.00 0.00 61.00 62.53 2aff s PRO 18 Cb 0.00 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 2aff s PRO 18 CO 0.00 -0.37 0.40 -3.38 0.04 0.00 0.00 177.00 173.70 2aff s HIS 19 N -1.88 2.97 -0.33 0.56 -3.43 -1.26 -2.08 115.29 109.84 2aff s HIS 19 Ca 0.65 -0.29 -0.01 0.00 -0.80 0.00 0.00 55.06 54.61 2aff s HIS 19 Cb -0.18 -1.97 0.11 0.00 -1.43 0.00 0.00 32.58 29.11 2aff s HIS 19 CO 0.22 0.02 0.14 0.12 -2.00 0.00 0.00 174.74 173.24 2aff s PHE 20 N -2.26 1.28 0.04 0.38 5.36 0.31 -4.92 117.98 118.16 2aff s PHE 20 Ca 0.45 -1.60 -0.30 0.00 -0.96 0.00 0.00 56.93 54.51 2aff s PHE 20 Cb -0.08 -1.44 -0.08 0.00 -0.34 0.00 0.00 43.02 41.09 2aff s PHE 20 CO 0.29 -0.85 1.75 -2.14 -1.46 0.00 0.00 175.22 172.81 2aff s PRO 21 N 1.50 4.17 -0.17 10.12 0.02 -1.26 -1.98 135.00 147.41 2aff s PRO 21 Ca 0.12 2.39 -0.05 0.00 0.02 0.00 0.00 61.00 63.48 2aff s PRO 21 Cb -0.19 -3.82 -0.14 0.00 0.02 0.00 0.00 34.50 30.37 2aff s PRO 21 CO -0.22 -0.83 3.25 1.28 -0.33 0.00 0.00 177.00 180.16 2aff n LEU 22 N 6.43 5.70 0.28 -5.54 4.77 -0.67 -4.46 117.00 123.51 2aff n LEU 22 Ca 0.17 -3.47 0.16 0.00 -0.03 0.00 0.00 56.01 52.84 2aff n LEU 22 Cb 0.41 -1.34 0.82 0.00 -2.33 0.00 0.00 43.42 40.98 2aff n LEU 22 CO 0.64 1.68 1.02 0.77 -1.33 0.00 0.00 177.39 180.18 2aff h SER 23 N 2.91 0.00 -3.75 -1.43 4.64 -1.90 -3.42 113.55 110.60 2aff h SER 23 Ca 0.26 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.08 2aff h SER 23 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2aff h SER 23 CO 0.46 0.07 0.41 -0.76 -0.87 0.00 0.00 176.83 176.13 2aff s LEU 24 N -6.75 4.60 0.47 5.97 1.43 -1.26 -4.82 118.68 118.32 2aff s LEU 24 Ca -0.02 2.07 0.32 0.00 -1.03 0.00 0.00 54.13 55.47 2aff s LEU 24 Cb 0.12 -3.61 1.60 0.00 0.03 0.00 0.00 46.19 44.32 2aff s LEU 24 CO 0.54 0.01 1.97 0.28 0.23 0.00 0.00 176.35 179.38 2aff h SER 25 N 4.15 0.00 -3.68 2.29 0.02 -1.94 -3.42 113.55 110.98 2aff h SER 25 Ca -0.45 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.08 2aff h SER 25 Cb 1.21 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.43 2aff h SER 25 CO 0.68 0.00 -0.78 -0.89 -1.14 0.00 0.00 176.83 174.70 2aff s THR 26 N -3.73 0.67 -0.20 -2.27 2.01 -1.26 -0.98 115.64 109.87 2aff s THR 26 Ca -0.01 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.73 2aff s THR 26 Cb 0.10 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 72.02 2aff s THR 26 CO 0.37 0.23 -0.12 0.00 -0.69 0.00 0.00 174.62 174.41 2aff s LEU 28 N 1.33 3.02 -0.10 0.00 2.96 -1.26 -0.57 118.68 124.07 2aff s LEU 28 Ca -0.01 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.65 2aff s LEU 28 Cb -0.16 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 2aff s LEU 28 CO -0.08 0.14 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.70 2aff s PHE 29 N 0.53 3.06 -3.56 5.38 0.40 0.18 0.56 117.98 124.53 2aff s PHE 29 Ca -0.05 0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.29 2aff s PHE 29 Cb -0.15 -1.82 0.00 0.00 0.51 0.00 0.00 43.02 41.56 2aff s PHE 29 CO 0.03 0.29 0.00 0.41 0.70 0.00 0.00 175.22 176.65 2aff n GLY 30 N 2.57 -1.45 0.08 4.36 0.00 -0.69 -2.25 105.19 107.82 2aff n GLY 30 Ca -0.18 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 2aff n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2aff n ARG 31 N -0.07 0.63 -1.17 1.61 0.63 0.10 -2.17 116.66 116.23 2aff n ARG 31 Ca 0.00 0.30 -0.34 0.00 -0.92 0.00 0.00 57.85 56.89 2aff n ARG 31 Cb 0.00 -1.79 0.11 0.00 0.45 0.00 0.00 32.46 31.22 2aff n ARG 31 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2aff n GLY 32 N 1.56 -0.48 0.24 5.14 0.00 -1.22 -4.72 105.19 105.70 2aff n GLY 32 Ca -0.17 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.72 1.27 0.00 -0.61 6.09 -1.92 -2.49 117.51 119.12 2aff h ILE 33 Ca -0.46 -1.11 0.00 0.00 -1.37 0.00 0.00 64.86 61.91 2aff h ILE 33 Cb 1.31 1.10 0.00 0.00 0.47 0.00 0.00 36.82 39.70 2aff h ILE 33 CO 0.45 0.38 0.04 -1.84 -3.07 0.00 0.00 178.15 174.10 2aff n GLU 34 N -4.35 0.09 -2.12 2.19 0.28 -1.26 -4.63 120.64 110.85 2aff n GLU 34 Ca -0.00 0.58 -0.42 0.00 -0.16 0.00 0.00 57.16 57.16 2aff n GLU 34 Cb 0.33 -1.85 -0.03 0.00 1.43 0.00 0.00 31.44 31.32 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 7.17 0.33 -3.76 0.00 3.32 -0.15 -3.35 116.42 119.98 2aff h ASP 36 Ca -0.41 -0.01 -0.67 0.00 0.02 0.00 0.00 57.03 55.95 2aff h ASP 36 Cb 1.20 -0.08 -0.36 0.00 0.22 0.00 0.00 39.33 40.31 2aff h ASP 36 CO 0.89 0.25 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.22 2aff s ILE 37 N -5.34 2.22 -0.17 0.35 -1.09 0.05 -4.95 121.20 112.26 2aff s ILE 37 Ca -0.07 -1.53 -0.09 0.00 -2.23 0.00 0.00 60.65 56.73 2aff s ILE 37 Cb 0.17 -2.26 -0.05 0.00 -1.58 0.00 0.00 42.46 38.75 2aff s ILE 37 CO 0.71 0.04 0.12 -0.13 -1.23 0.00 0.00 174.94 174.46 2aff s ARG 38 N 1.14 3.89 -0.11 2.79 0.52 -1.26 -1.70 118.95 124.23 2aff s ARG 38 Ca -0.07 -0.20 0.03 0.00 -0.52 0.00 0.00 55.73 54.97 2aff s ARG 38 Cb -0.19 -3.31 -0.00 0.00 0.52 0.00 0.00 34.95 31.97 2aff s ARG 38 CO -0.06 0.47 -0.22 0.42 0.02 0.00 0.00 175.30 175.93 2aff s ILE 39 N -0.13 2.24 0.00 1.52 1.01 -0.92 -5.00 121.20 119.92 2aff s ILE 39 Ca 0.10 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2aff s ILE 39 Cb -0.11 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.48 2aff s ILE 39 CO 0.00 0.55 0.86 0.00 0.00 0.00 0.00 174.94 176.35 2aff n GLN 40 N 3.56 0.62 -4.55 2.79 6.02 -1.26 -4.58 117.38 119.98 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 -1.19 -0.12 0.00 1.02 0.00 0.00 30.24 30.48 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 3.12 0.00 1.08 1.43 -1.26 -4.99 118.68 118.06 2aff s LEU 41 Ca 0.00 -0.13 0.17 0.00 -1.03 0.00 0.00 54.13 53.13 2aff s LEU 41 Cb 0.00 -1.72 0.73 0.00 0.03 0.00 0.00 46.19 45.23 2aff s LEU 41 CO 0.00 0.23 1.53 -0.81 0.23 0.00 0.00 176.35 177.53 2aff n PRO 42 N 3.10 0.04 -0.20 1.29 -0.04 -1.26 -2.23 135.00 135.70 2aff n PRO 42 Ca -0.18 0.20 0.10 0.00 -0.04 0.00 0.00 63.50 63.59 2aff n PRO 42 Cb 0.53 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.47 0.61 -3.30 0.52 0.24 -1.26 -4.92 118.33 108.74 2aff n VAL 43 Ca 0.05 -0.81 -0.38 0.00 -2.04 0.00 0.00 64.34 61.16 2aff n VAL 43 Cb 0.18 0.86 -0.06 0.00 -1.47 0.00 0.00 33.84 33.36 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 -1.29 5.05 0.75 3.34 1.01 -0.94 -4.91 120.40 123.40 2aff s VAL 44 Ca 0.36 1.05 -0.12 0.00 0.00 0.00 0.00 61.98 63.27 2aff s VAL 44 Cb 0.21 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 32.79 2aff s VAL 44 CO 0.28 0.41 1.11 -0.44 0.00 0.00 0.00 175.10 176.46 2aff s SER 45 N 0.01 4.52 0.23 3.32 0.01 -1.26 -4.17 113.70 116.36 2aff s SER 45 Ca 0.28 1.95 -0.06 0.00 1.31 0.00 0.00 55.95 59.42 2aff s SER 45 Cb -0.17 -2.54 0.22 0.00 0.21 0.00 0.00 66.02 63.74 2aff s SER 45 CO 0.14 -2.02 1.79 0.11 0.41 0.00 0.00 173.24 173.66 2aff h LYS 46 N -0.78 1.11 0.00 12.44 1.57 -1.92 0.29 116.57 129.29 2aff h LYS 46 Ca -0.45 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.11 2aff h LYS 46 Cb 1.24 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 2aff h LYS 46 CO 0.51 0.92 -1.31 1.04 -0.57 0.00 0.00 179.45 180.04 2aff n GLN 47 N -4.27 0.60 0.00 3.15 6.02 -1.26 -3.43 117.38 118.19 2aff n GLN 47 Ca 0.06 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2aff n GLN 47 Cb 0.20 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.31 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 -1.79 0.00 -4.54 1.08 -0.00 -0.95 -3.63 115.22 105.38 2aff n HIS 48 Ca -0.02 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.93 2aff n HIS 48 Cb 0.24 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.95 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 0.37 2.22 -0.11 0.00 2.20 -0.73 0.47 119.74 124.16 2aff s LYS 50 Ca -0.08 -0.57 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 2aff s LYS 50 Cb -0.12 -1.85 -0.02 0.00 -1.51 0.00 0.00 37.83 34.33 2aff s LYS 50 CO 0.02 -0.02 -0.12 0.42 -0.36 0.00 0.00 175.35 175.29 2aff s ILE 51 N 0.86 3.17 -0.10 5.43 1.01 0.26 0.04 121.20 131.88 2aff s ILE 51 Ca -0.09 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 59.93 2aff s ILE 51 Cb -0.15 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 2aff s ILE 51 CO 0.00 0.54 -0.10 -1.61 0.00 0.00 0.00 174.94 173.77 2aff s GLU 52 N 0.07 3.07 -0.34 2.79 2.02 -0.76 -1.74 118.70 123.80 2aff s GLU 52 Ca -0.05 -0.62 -0.10 0.00 0.02 0.00 0.00 54.97 54.22 2aff s GLU 52 Cb -0.14 -2.61 0.01 0.00 0.10 0.00 0.00 34.13 31.49 2aff s GLU 52 CO 0.04 0.43 0.18 0.42 0.02 0.00 0.00 175.26 176.35 2aff s ILE 53 N -0.20 4.58 -0.08 -1.63 -1.09 -0.16 -2.06 121.20 120.57 2aff s ILE 53 Ca 0.01 -0.65 0.03 0.00 -2.23 0.00 0.00 60.65 57.82 2aff s ILE 53 Cb -0.13 -3.45 -0.02 0.00 -1.58 0.00 0.00 42.46 37.28 2aff s ILE 53 CO 0.03 -0.09 -0.17 -1.00 -1.23 0.00 0.00 174.94 172.48 2aff s HIS 54 N 1.58 2.65 0.56 3.97 3.76 0.20 -4.96 115.29 123.05 2aff s HIS 54 Ca 0.03 -0.50 0.47 0.00 -0.15 0.00 0.00 55.06 54.92 2aff s HIS 54 Cb -0.18 -1.68 1.66 0.00 1.11 0.00 0.00 32.58 33.48 2aff s HIS 54 CO 0.06 -0.07 1.58 0.93 -0.85 0.00 0.00 174.74 176.40 2aff h GLU 55 N 6.00 0.00 0.14 1.40 3.07 -2.02 0.35 114.58 123.51 2aff h GLU 55 Ca -0.35 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.50 2aff h GLU 55 Cb 1.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 2aff h GLU 55 CO 0.51 0.00 -0.07 1.96 -1.40 0.00 0.00 179.01 180.01 2aff h GLN 56 N 0.00 -0.18 0.00 2.33 4.20 -2.01 -3.49 115.11 115.96 2aff h GLN 56 Ca 0.86 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.58 2aff h GLN 56 Cb 3.52 0.04 0.00 0.00 0.30 0.00 0.00 27.48 31.34 2aff h GLN 56 CO -0.01 -0.12 0.00 -1.91 -0.67 0.00 0.00 178.83 176.12 2aff n GLU 57 N -2.75 0.00 -4.42 1.46 4.07 0.12 -5.16 120.64 113.96 2aff n GLU 57 Ca -0.02 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.74 2aff n GLU 57 Cb 0.07 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 31.30 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 -1.22 2.52 -0.16 4.31 0.00 -1.26 -0.63 121.76 125.32 2aff s ALA 58 Ca 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 2aff s ALA 58 Cb 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 23.12 21.82 2aff s ALA 58 CO 0.00 -0.10 -0.06 0.42 0.00 0.00 0.00 175.76 176.02 2aff s ILE 59 N 0.92 3.64 -0.21 0.00 1.01 -0.87 0.12 121.20 125.80 2aff s ILE 59 Ca -0.03 -0.44 -0.15 0.00 0.00 0.00 0.00 60.65 60.02 2aff s ILE 59 Cb -0.15 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 2aff s ILE 59 CO -0.02 0.49 0.38 -0.22 0.00 0.00 0.00 174.94 175.57 2aff s LEU 60 N 0.49 4.14 -0.12 2.97 2.96 0.14 -1.83 118.68 127.43 2aff s LEU 60 Ca -0.05 0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 54.30 2aff s LEU 60 Cb -0.15 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 2aff s LEU 60 CO 0.03 -0.08 -0.06 -1.00 -1.32 0.00 0.00 176.35 173.92 2aff s HIS 61 N 1.39 2.97 -0.46 5.38 3.76 0.11 -2.07 115.29 126.37 2aff s HIS 61 Ca 0.18 -0.19 -0.20 0.00 -0.15 0.00 0.00 55.06 54.69 2aff s HIS 61 Cb -0.15 -1.84 0.03 0.00 1.11 0.00 0.00 32.58 31.74 2aff s HIS 61 CO 0.08 0.11 0.62 1.21 -0.85 0.00 0.00 174.74 175.91 2aff s ASN 62 N -0.15 6.27 -0.00 1.40 3.84 -1.26 -1.77 114.94 123.27 2aff s ASN 62 Ca 0.02 -0.57 0.18 0.00 0.21 0.00 0.00 52.86 52.69 2aff s ASN 62 Cb -0.13 -2.30 -0.21 0.00 -0.55 0.00 0.00 41.25 38.06 2aff s ASN 62 CO 0.03 -0.80 0.69 0.49 -2.79 0.00 0.00 177.10 174.71 2aff n PHE 63 N 6.19 0.00 -2.24 0.43 3.01 0.37 -4.88 117.46 120.34 2aff n PHE 63 Ca -0.04 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.03 2aff n PHE 63 Cb 0.47 -0.07 -0.03 0.00 -0.01 0.00 0.00 39.48 39.84 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 -2.90 5.62 0.01 4.37 0.15 0.30 -4.53 113.70 116.72 2aff s SER 64 Ca 0.05 -0.07 -0.19 0.00 0.70 0.00 0.00 55.95 56.44 2aff s SER 64 Cb 0.13 -2.54 -0.27 0.00 -1.71 0.00 0.00 66.02 61.63 2aff s SER 64 CO 0.73 -2.18 1.06 -1.28 1.20 0.00 0.00 173.24 172.77 2aff h SER 65 N 12.81 0.63 -0.56 5.45 0.87 -1.90 -3.02 113.55 127.83 2aff h SER 65 Ca -0.23 -0.82 -0.11 0.00 -1.23 0.00 0.00 61.79 59.41 2aff h SER 65 Cb 1.11 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 2aff h SER 65 CO 1.25 1.38 -0.07 0.71 -0.53 0.00 0.00 176.83 179.56 2aff h THR 66 N -0.04 1.27 -2.49 2.23 1.35 -1.98 -3.40 112.91 109.85 2aff h THR 66 Ca -0.12 -1.23 -0.46 0.00 -0.55 0.00 0.00 66.41 64.05 2aff h THR 66 Cb 1.56 0.90 -0.37 0.00 -1.73 0.00 0.00 68.15 68.51 2aff h THR 66 CO 0.16 0.44 -0.74 0.20 -0.25 0.00 0.00 175.52 175.33 2aff s ASN 67 N -6.63 2.68 0.45 5.36 0.01 -1.25 -5.14 114.94 110.41 2aff s ASN 67 Ca -0.11 -1.31 -0.24 0.00 -0.71 0.00 0.00 52.86 50.49 2aff s ASN 67 Cb 0.13 -0.02 -0.10 0.00 0.41 0.00 0.00 41.25 41.68 2aff s ASN 67 CO 0.86 -0.39 1.08 -2.65 -1.51 0.00 0.00 177.10 174.49 2aff n PRO 68 N 4.97 1.45 -2.22 -0.60 -0.02 -1.14 -4.63 135.00 132.81 2aff n PRO 68 Ca -0.00 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 2aff n PRO 68 Cb 0.43 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 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 3.20 -0.12 3.45 2.01 -1.26 -4.83 115.64 116.80 2aff s THR 69 Ca 0.64 1.00 -0.06 0.00 0.31 0.00 0.00 61.69 63.59 2aff s THR 69 Cb -0.52 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2aff s THR 69 CO 0.56 0.16 0.09 -1.10 -0.69 0.00 0.00 174.62 173.63 2aff s GLN 70 N -0.24 3.38 -0.04 4.92 -0.21 -0.17 -1.39 119.66 125.91 2aff s GLN 70 Ca 0.56 -0.25 0.02 0.00 0.02 0.00 0.00 55.36 55.72 2aff s GLN 70 Cb -0.36 -3.07 0.01 0.00 1.00 0.00 0.00 33.01 30.58 2aff s GLN 70 CO 0.39 0.68 -0.10 0.08 -2.12 0.00 0.00 175.29 174.23 2aff s VAL 71 N -0.77 0.86 -1.35 1.09 1.01 0.49 0.27 120.40 121.99 2aff s VAL 71 Ca 0.13 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 2aff s VAL 71 Cb -0.12 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.51 2aff s VAL 71 CO 0.03 0.27 0.38 0.59 0.00 0.00 0.00 175.10 176.37 2aff n ASN 72 N 3.47 -4.66 -1.35 3.32 3.02 0.05 0.57 115.26 119.67 2aff n ASN 72 Ca -0.20 -0.20 -0.12 0.00 -0.03 0.00 0.00 54.58 54.03 2aff n ASN 72 Cb 0.53 -3.84 -0.01 0.00 -0.61 0.00 0.00 39.78 35.85 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 -1.19 -0.05 2.88 7.41 0.00 -1.26 -5.02 105.19 107.96 2aff n GLY 73 Ca -0.09 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.48 -0.02 0.38 1.61 0.01 0.19 -5.10 113.70 108.30 2aff s SER 74 Ca 0.00 0.10 -0.26 0.00 1.31 0.00 0.00 55.95 57.09 2aff s SER 74 Cb 0.00 0.05 -0.09 0.00 0.21 0.00 0.00 66.02 66.20 2aff s SER 74 CO 0.00 -0.06 1.23 0.54 0.41 0.00 0.00 173.24 175.36 2aff s VAL 75 N 0.44 2.94 -0.56 3.43 0.11 -1.26 0.19 120.40 125.68 2aff s VAL 75 Ca -0.03 0.85 0.04 0.00 -2.93 0.00 0.00 61.98 59.90 2aff s VAL 75 Cb -0.05 -3.50 0.14 0.00 -1.53 0.00 0.00 36.38 31.44 2aff s VAL 75 CO -0.01 0.13 0.32 0.27 -3.33 0.00 0.00 175.10 172.47 2aff s ILE 76 N -1.29 2.73 0.31 7.04 -4.36 -0.49 -4.86 121.20 120.27 2aff s ILE 76 Ca 0.54 -3.48 0.21 0.00 -0.26 0.00 0.00 60.65 57.67 2aff s ILE 76 Cb -0.35 -2.86 0.20 0.00 1.25 0.00 0.00 42.46 40.70 2aff s ILE 76 CO 0.45 -0.84 1.90 0.44 0.24 0.00 0.00 174.94 177.13 2aff h ASP 77 N 6.33 0.00 -2.33 4.36 3.32 -1.95 -3.42 116.42 122.73 2aff h ASP 77 Ca -0.04 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.44 2aff h ASP 77 Cb 0.87 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.31 2aff h ASP 77 CO 0.70 0.25 -0.67 -1.61 -1.72 0.00 0.00 179.24 176.19 2aff s GLU 78 N -3.99 2.21 0.69 3.56 2.02 -1.26 -4.85 118.70 117.08 2aff s GLU 78 Ca -0.02 -1.42 -0.15 0.00 0.02 0.00 0.00 54.97 53.41 2aff s GLU 78 Cb 0.13 -2.13 0.02 0.00 0.10 0.00 0.00 34.13 32.24 2aff s GLU 78 CO 0.65 0.37 1.14 -1.25 0.02 0.00 0.00 175.26 176.19 2aff s PRO 79 N -3.52 2.53 -0.05 0.39 0.04 -1.26 -4.74 135.00 128.38 2aff s PRO 79 Ca 0.30 1.49 -0.14 0.00 0.04 0.00 0.00 61.00 62.70 2aff s PRO 79 Cb -0.07 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.59 2aff s PRO 79 CO 0.19 -1.48 0.32 0.14 0.04 0.00 0.00 177.00 176.21 2aff s VAL 80 N -2.27 0.04 0.11 -0.36 -7.23 -0.88 -5.00 120.40 104.82 2aff s VAL 80 Ca 0.69 -0.31 -0.31 0.00 -1.81 0.00 0.00 61.98 60.25 2aff s VAL 80 Cb -0.23 -0.57 -0.07 0.00 0.56 0.00 0.00 36.38 36.07 2aff s VAL 80 CO 0.44 -0.17 1.26 -0.13 -0.31 0.00 0.00 175.10 176.18 2aff s ARG 81 N -0.80 4.41 0.17 4.82 0.52 -1.26 -0.68 118.95 126.13 2aff s ARG 81 Ca -0.09 1.89 -0.27 0.00 -0.52 0.00 0.00 55.73 56.75 2aff s ARG 81 Cb -0.04 -3.28 -0.08 0.00 0.52 0.00 0.00 34.95 32.06 2aff s ARG 81 CO 0.03 -0.26 0.84 -0.51 0.02 0.00 0.00 175.30 175.42 2aff s LEU 82 N 0.68 4.59 0.11 2.53 1.43 0.31 -4.88 118.68 123.45 2aff s LEU 82 Ca 0.59 1.73 0.09 0.00 -1.03 0.00 0.00 54.13 55.50 2aff s LEU 82 Cb -0.33 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 2aff s LEU 82 CO 0.32 0.16 -0.22 -0.75 0.23 0.00 0.00 176.35 176.09 2aff s LYS 83 N -0.97 1.17 0.10 1.70 2.20 -1.26 -4.44 119.74 118.24 2aff s LYS 83 Ca 0.38 -1.20 -0.31 0.00 -0.36 0.00 0.00 55.97 54.49 2aff s LYS 83 Cb -0.24 -1.46 -0.09 0.00 -1.51 0.00 0.00 37.83 34.53 2aff s LYS 83 CO 0.28 0.34 1.69 -1.58 -0.36 0.00 0.00 175.35 175.72 2aff s HIS 84 N -1.18 2.46 0.00 4.03 5.65 -1.26 -1.41 115.29 123.58 2aff s HIS 84 Ca 0.08 0.27 0.00 0.00 0.25 0.00 0.00 55.06 55.65 2aff s HIS 84 Cb -0.10 -4.03 0.00 0.00 -1.18 0.00 0.00 32.58 27.27 2aff s HIS 84 CO 0.05 -4.11 0.00 0.41 -0.65 0.00 0.00 174.74 170.44 2aff n GLY 85 N 4.03 2.73 3.77 1.59 0.00 -0.26 -4.98 105.19 112.07 2aff n GLY 85 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.47 6.51 -0.10 1.61 1.01 -0.50 -4.80 116.67 118.93 2aff s ASP 86 Ca 0.00 2.45 0.01 0.00 0.71 0.00 0.00 52.55 55.71 2aff s ASP 86 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2aff s ASP 86 CO 0.00 -0.69 -0.11 0.54 0.21 0.00 0.00 175.17 175.12 2aff s VAL 87 N -1.34 3.32 -0.18 -1.27 0.11 -1.26 -1.86 120.40 117.92 2aff s VAL 87 Ca 0.56 -0.59 -0.07 0.00 -2.93 0.00 0.00 61.98 58.94 2aff s VAL 87 Cb -0.33 -2.37 -0.04 0.00 -1.53 0.00 0.00 36.38 32.10 2aff s VAL 87 CO 0.42 0.55 0.07 -0.63 -3.33 0.00 0.00 175.10 172.19 2aff s ILE 88 N -0.19 4.91 -0.11 7.04 1.01 -0.71 -0.77 121.20 132.38 2aff s ILE 88 Ca 0.01 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.70 2aff s ILE 88 Cb -0.13 -3.20 0.01 0.00 0.01 0.00 0.00 42.46 39.14 2aff s ILE 88 CO 0.03 0.48 -0.22 -0.89 0.00 0.00 0.00 174.94 174.34 2aff s THR 89 N 0.20 1.93 -0.11 2.92 2.01 0.75 0.03 115.64 123.37 2aff s THR 89 Ca 0.05 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.16 2aff s THR 89 Cb -0.12 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.70 2aff s THR 89 CO 0.00 0.53 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.61 2aff s ILE 90 N 0.59 1.95 0.00 1.82 1.01 0.63 -1.00 121.20 126.19 2aff s ILE 90 Ca -0.13 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.58 2aff s ILE 90 Cb -0.17 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.60 2aff s ILE 90 CO 0.04 0.53 0.00 -0.38 0.00 0.00 0.00 174.94 175.13 2aff n ILE 91 N 3.74 0.00 -1.46 2.92 2.08 -1.26 0.27 119.36 125.64 2aff n ILE 91 Ca -0.20 0.00 0.07 0.00 0.56 0.00 0.00 62.75 63.18 2aff n ILE 91 Cb 0.52 0.00 0.12 0.00 -0.75 0.00 0.00 39.64 39.54 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 2.62 1.69 -4.12 4.38 -0.08 -1.26 -5.02 116.55 114.75 2aff n ASP 92 Ca 0.00 -3.00 -0.21 0.00 -1.51 0.00 0.00 54.79 50.06 2aff n ASP 92 Cb 0.00 -0.40 -0.14 0.00 2.34 0.00 0.00 41.12 42.91 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2aff s ARG 93 N -2.24 1.05 0.05 -0.67 0.52 0.76 -4.45 118.95 113.97 2aff s ARG 93 Ca 0.28 -0.61 0.03 0.00 -0.52 0.00 0.00 55.73 54.90 2aff s ARG 93 Cb 0.26 -1.04 -0.03 0.00 0.52 0.00 0.00 34.95 34.67 2aff s ARG 93 CO -0.01 0.27 -0.09 -1.12 0.02 0.00 0.00 175.30 174.37 2aff s SER 94 N -0.67 1.01 -0.13 0.23 0.01 -1.26 0.23 113.70 113.12 2aff s SER 94 Ca 0.04 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.69 2aff s SER 94 Cb -0.06 0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.22 2aff s SER 94 CO 0.00 -0.22 -0.11 -0.36 0.41 0.00 0.00 173.24 172.96 2aff s PHE 95 N -1.63 1.83 -0.04 2.43 0.40 0.10 -1.56 117.98 119.51 2aff s PHE 95 Ca -0.06 -0.97 -0.27 0.00 -0.60 0.00 0.00 56.93 55.03 2aff s PHE 95 Cb -0.08 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.00 2aff s PHE 95 CO 0.00 -0.58 0.85 1.03 0.70 0.00 0.00 175.22 177.22 2aff s ARG 96 N 1.55 4.49 -0.18 0.44 0.52 -0.85 -1.74 118.95 123.19 2aff s ARG 96 Ca 0.04 1.16 -0.16 0.00 -0.52 0.00 0.00 55.73 56.25 2aff s ARG 96 Cb -0.13 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 2aff s ARG 96 CO -0.09 -0.02 0.39 -0.47 0.02 0.00 0.00 175.30 175.13 2aff s TYR 97 N 1.00 3.41 -0.07 -0.53 5.04 -0.78 -1.86 117.35 123.56 2aff s TYR 97 Ca 0.45 0.65 -0.03 0.00 -2.44 0.00 0.00 57.07 55.70 2aff s TYR 97 Cb -0.19 -2.49 0.04 0.00 0.35 0.00 0.00 41.96 39.67 2aff s TYR 97 CO 0.23 0.06 0.14 -1.21 -1.34 0.00 0.00 175.55 173.43 2aff s GLU 98 N 1.05 0.03 0.19 4.97 2.02 -0.63 -1.10 118.70 125.23 2aff s GLU 98 Ca 0.19 0.48 -0.12 0.00 0.02 0.00 0.00 54.97 55.55 2aff s GLU 98 Cb -0.14 -0.28 0.11 0.00 0.10 0.00 0.00 34.13 33.91 2aff s GLU 98 CO 0.07 -0.28 1.80 -0.91 0.02 0.00 0.00 175.26 175.97 2aff h ASN 99 N 8.10 0.82 0.00 -0.19 2.35 -1.86 0.10 115.58 124.90 2aff h ASN 99 Ca -0.20 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 2aff h ASN 99 Cb 1.12 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.28 2aff h ASN 99 CO 0.21 0.68 0.00 -0.62 -1.65 0.00 0.00 177.43 176.05