#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 1.56 -3.20 3.45 -1.04 -1.26 -4.78 114.28 109.02 2aff n THR 4 Ca 0.00 -0.65 -0.40 0.00 -2.04 0.00 0.00 64.05 60.96 2aff n THR 4 Cb 0.00 -1.34 -0.07 0.00 -1.82 0.00 0.00 70.33 67.11 2aff n THR 4 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2aff s ARG 5 N -2.53 4.17 -0.01 -2.82 0.52 -1.26 -0.66 118.95 116.36 2aff s ARG 5 Ca -0.26 0.46 0.03 0.00 -0.52 0.00 0.00 55.73 55.44 2aff s ARG 5 Cb 0.08 -3.59 -0.01 0.00 0.52 0.00 0.00 34.95 31.95 2aff s ARG 5 CO 0.70 -0.23 -0.09 1.03 0.02 0.00 0.00 175.30 176.73 2aff s ARG 6 N 1.89 0.73 -0.08 3.54 0.52 -0.89 -1.89 118.95 122.77 2aff s ARG 6 Ca 0.25 -0.33 0.02 0.00 -0.52 0.00 0.00 55.73 55.15 2aff s ARG 6 Cb -0.16 -0.70 -0.02 0.00 0.52 0.00 0.00 34.95 34.59 2aff s ARG 6 CO 0.10 0.19 -0.15 -1.17 0.02 0.00 0.00 175.30 174.29 2aff s LEU 7 N -0.24 2.68 -0.14 2.53 2.96 -0.71 -1.76 118.68 123.99 2aff s LEU 7 Ca 0.03 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.65 2aff s LEU 7 Cb -0.04 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 2aff s LEU 7 CO -0.00 0.27 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.52 2aff s VAL 8 N -0.28 3.46 -0.28 1.68 1.01 -0.22 0.49 120.40 126.26 2aff s VAL 8 Ca 0.02 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.27 2aff s VAL 8 Cb -0.13 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 2aff s VAL 8 CO 0.03 0.51 0.68 -0.89 0.00 0.00 0.00 175.10 175.42 2aff s THR 9 N 0.34 4.92 0.16 3.92 2.01 -0.64 -1.60 115.64 124.74 2aff s THR 9 Ca -0.08 1.07 -0.26 0.00 0.31 0.00 0.00 61.69 62.74 2aff s THR 9 Cb -0.15 -4.01 -0.08 0.00 0.01 0.00 0.00 72.50 68.27 2aff s THR 9 CO 0.04 -0.10 0.81 -0.63 -0.69 0.00 0.00 174.62 174.06 2aff s ILE 10 N 2.66 4.37 0.46 1.82 1.01 -1.04 -1.78 121.20 128.69 2aff s ILE 10 Ca 0.28 1.78 -0.04 0.00 0.00 0.00 0.00 60.65 62.66 2aff s ILE 10 Cb -0.15 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 2aff s ILE 10 CO 0.10 0.49 0.74 -0.54 0.00 0.00 0.00 174.94 175.73 2aff s LYS 11 N -0.96 3.47 0.50 2.79 1.02 0.18 -4.62 119.74 122.12 2aff s LYS 11 Ca 0.37 0.05 0.20 0.00 0.02 0.00 0.00 55.97 56.61 2aff s LYS 11 Cb -0.23 -2.44 1.27 0.00 -0.52 0.00 0.00 37.83 35.91 2aff s LYS 11 CO 0.27 -0.16 2.03 0.00 -0.92 0.00 0.00 175.35 176.56 2aff h ARG 12 N 0.32 0.11 0.00 1.68 3.08 -1.89 0.65 114.38 118.33 2aff h ARG 12 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2aff h ARG 12 Cb 1.21 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2aff h ARG 12 CO 0.61 0.07 0.00 -1.13 -1.07 0.00 0.00 179.97 178.45 2aff n SER 13 N -4.44 0.00 0.00 7.04 3.41 -1.26 -4.87 113.62 113.50 2aff n SER 13 Ca 0.07 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2aff n SER 13 Cb 0.43 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 1.26 0.99 3.46 5.00 0.00 0.23 -5.07 105.19 111.05 2aff n GLY 14 Ca 0.11 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 3.41 0.29 1.61 1.01 -1.24 -4.79 120.40 118.69 2aff s VAL 15 Ca 0.00 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 2aff s VAL 15 Cb 0.00 -2.43 -0.09 0.00 0.00 0.00 0.00 36.38 33.85 2aff s VAL 15 CO 0.00 0.54 1.02 -1.81 0.00 0.00 0.00 175.10 174.85 2aff s ASP 16 N 0.01 7.34 0.00 3.32 1.01 -1.26 0.47 116.67 127.56 2aff s ASP 16 Ca -0.02 2.08 0.00 0.00 0.71 0.00 0.00 52.55 55.32 2aff s ASP 16 Cb -0.14 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.18 2aff s ASP 16 CO 0.04 -0.07 0.00 0.61 0.21 0.00 0.00 175.17 175.95 2aff n GLY 17 N 1.12 3.03 3.79 0.21 0.00 -0.73 -4.92 105.19 107.68 2aff n GLY 17 Ca -0.00 -0.33 -0.34 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 2.49 3.80 0.09 1.61 0.04 -1.26 -4.74 135.00 137.02 2aff s PRO 18 Ca 0.00 1.40 0.06 0.00 0.04 0.00 0.00 61.00 62.51 2aff s PRO 18 Cb 0.00 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2aff s PRO 18 CO 0.00 -0.44 -0.09 -3.38 0.04 0.00 0.00 177.00 173.13 2aff s HIS 19 N -1.92 2.77 -0.34 0.56 -3.43 -1.26 -1.62 115.29 110.04 2aff s HIS 19 Ca 0.67 -0.14 -0.02 0.00 -0.80 0.00 0.00 55.06 54.77 2aff s HIS 19 Cb -0.18 -1.47 0.08 0.00 -1.43 0.00 0.00 32.58 29.58 2aff s HIS 19 CO 0.21 0.41 0.08 0.12 -2.00 0.00 0.00 174.74 173.57 2aff s PHE 20 N -1.18 3.43 -0.07 0.38 5.36 0.18 -4.93 117.98 121.15 2aff s PHE 20 Ca 0.21 -2.17 -0.30 0.00 -0.96 0.00 0.00 56.93 53.71 2aff s PHE 20 Cb -0.11 -2.60 -0.04 0.00 -0.34 0.00 0.00 43.02 39.94 2aff s PHE 20 CO 0.13 -0.88 1.38 -1.25 -1.46 0.00 0.00 175.22 173.13 2aff s PRO 21 N 1.18 4.26 0.00 10.12 0.04 -1.26 -1.74 135.00 147.59 2aff s PRO 21 Ca 0.01 1.87 -0.03 0.00 0.04 0.00 0.00 61.00 62.88 2aff s PRO 21 Cb -0.21 -3.72 -0.15 0.00 0.04 0.00 0.00 34.50 30.46 2aff s PRO 21 CO -0.03 -0.66 2.80 1.28 0.04 0.00 0.00 177.00 180.43 2aff n LEU 22 N 6.11 4.89 0.22 -3.56 4.77 -0.79 -4.35 117.00 124.30 2aff n LEU 22 Ca 0.14 -2.69 0.09 0.00 -0.03 0.00 0.00 56.01 53.52 2aff n LEU 22 Cb 0.44 -1.21 0.63 0.00 -2.33 0.00 0.00 43.42 40.95 2aff n LEU 22 CO 0.58 1.30 1.09 0.77 -1.33 0.00 0.00 177.39 179.80 2aff h SER 23 N 2.44 0.03 -3.90 -1.43 4.64 -1.90 -3.42 113.55 110.02 2aff h SER 23 Ca 0.11 -0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.93 2aff h SER 23 Cb 1.22 -0.01 0.03 0.00 -0.31 0.00 0.00 62.40 63.33 2aff h SER 23 CO 0.15 0.02 0.48 -0.76 -0.87 0.00 0.00 176.83 175.85 2aff s LEU 24 N -9.07 4.32 0.58 5.97 1.43 -1.26 -4.91 118.68 115.74 2aff s LEU 24 Ca -0.05 2.26 0.34 0.00 -1.03 0.00 0.00 54.13 55.64 2aff s LEU 24 Cb 0.17 -3.90 1.82 0.00 0.03 0.00 0.00 46.19 44.31 2aff s LEU 24 CO 0.68 -0.43 2.19 0.28 0.23 0.00 0.00 176.35 179.30 2aff h SER 25 N 3.06 0.00 -3.84 2.29 0.02 -1.89 -3.42 113.55 109.77 2aff h SER 25 Ca -0.48 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.12 2aff h SER 25 Cb 1.22 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.47 2aff h SER 25 CO 0.64 0.04 -0.76 -0.89 -1.14 0.00 0.00 176.83 174.72 2aff s THR 26 N -4.22 0.46 -0.08 -2.27 2.01 -1.26 -0.04 115.64 110.24 2aff s THR 26 Ca -0.04 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.75 2aff s THR 26 Cb 0.13 -0.41 0.02 0.00 0.01 0.00 0.00 72.50 72.25 2aff s THR 26 CO 0.52 0.15 -0.05 0.00 -0.69 0.00 0.00 174.62 174.55 2aff s LEU 28 N 1.45 2.86 -0.08 0.00 2.96 -1.26 -0.57 118.68 124.05 2aff s LEU 28 Ca -0.02 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.62 2aff s LEU 28 Cb -0.13 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2aff s LEU 28 CO -0.04 0.17 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.77 2aff s PHE 29 N 0.31 3.04 -3.09 5.38 0.40 0.11 0.10 117.98 124.22 2aff s PHE 29 Ca -0.09 0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.34 2aff s PHE 29 Cb -0.15 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.63 2aff s PHE 29 CO 0.05 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.77 2aff n GLY 30 N 2.18 -1.25 0.09 4.36 0.00 -0.93 -2.40 105.19 107.22 2aff n GLY 30 Ca -0.18 -1.05 -0.06 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 0.63 -1.71 1.61 0.63 0.19 -2.37 116.66 115.65 2aff n ARG 31 Ca 0.00 0.25 -0.35 0.00 -0.92 0.00 0.00 57.85 56.83 2aff n ARG 31 Cb 0.00 -1.78 0.06 0.00 0.45 0.00 0.00 32.46 31.19 2aff n ARG 31 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2aff s GLY 32 N -5.01 2.52 0.14 5.14 0.00 -1.07 -4.79 107.32 104.25 2aff s GLY 32 Ca -0.04 0.92 -0.13 0.00 0.00 0.00 0.00 44.72 45.47 2aff s GLY 32 CO 0.82 1.32 1.59 1.19 0.00 0.00 0.00 173.10 178.01 2aff h ILE 33 N 0.25 1.26 0.00 0.90 6.09 -1.92 -2.57 117.51 121.52 2aff h ILE 33 Ca -0.49 -1.09 0.00 0.00 -1.37 0.00 0.00 64.86 61.91 2aff h ILE 33 Cb 1.29 1.04 0.00 0.00 0.47 0.00 0.00 36.82 39.62 2aff h ILE 33 CO 0.52 0.38 0.19 1.21 -3.07 0.00 0.00 178.15 177.38 2aff n GLU 34 N -4.34 0.09 -2.11 2.19 2.13 -1.26 -4.62 120.64 112.71 2aff n GLU 34 Ca 0.00 0.55 -0.42 0.00 0.66 0.00 0.00 57.16 57.95 2aff n GLU 34 Cb 0.32 -1.97 -0.03 0.00 0.27 0.00 0.00 31.44 30.04 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 5.68 0.26 -3.14 0.00 3.32 -0.60 -3.36 116.42 118.57 2aff h ASP 36 Ca -0.44 -0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.01 2aff h ASP 36 Cb 1.21 -0.06 -0.36 0.00 0.22 0.00 0.00 39.33 40.35 2aff h ASP 36 CO 0.81 0.18 -0.83 -0.63 -1.72 0.00 0.00 179.24 177.04 2aff s ILE 37 N -5.30 1.48 -0.12 0.35 1.01 0.00 -4.95 121.20 113.68 2aff s ILE 37 Ca -0.07 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 2aff s ILE 37 Cb 0.18 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 2aff s ILE 37 CO 0.72 0.44 -0.00 -0.13 0.00 0.00 0.00 174.94 175.97 2aff s ARG 38 N 1.46 3.31 -0.08 2.79 0.52 -1.26 -2.19 118.95 123.50 2aff s ARG 38 Ca 0.04 -0.43 0.04 0.00 -0.52 0.00 0.00 55.73 54.86 2aff s ARG 38 Cb -0.13 -2.89 -0.01 0.00 0.52 0.00 0.00 34.95 32.44 2aff s ARG 38 CO -0.09 0.52 -0.21 0.42 0.02 0.00 0.00 175.30 175.95 2aff s ILE 39 N -0.37 2.37 -0.66 1.52 1.01 -1.00 -5.00 121.20 119.08 2aff s ILE 39 Ca 0.07 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2aff s ILE 39 Cb -0.12 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.44 2aff s ILE 39 CO 0.02 0.56 0.51 0.00 0.00 0.00 0.00 174.94 176.03 2aff n GLN 40 N 3.12 0.76 -3.27 2.79 6.02 -1.26 -4.69 117.38 120.85 2aff n GLN 40 Ca -0.18 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.42 2aff n GLN 40 Cb 0.52 -1.29 -0.07 0.00 1.02 0.00 0.00 30.24 30.42 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 4.13 0.00 1.08 1.43 -1.26 -4.95 118.68 119.11 2aff s LEU 41 Ca 0.00 0.63 0.18 0.00 -1.03 0.00 0.00 54.13 53.90 2aff s LEU 41 Cb 0.00 -2.67 0.81 0.00 0.03 0.00 0.00 46.19 44.36 2aff s LEU 41 CO 0.00 -0.18 1.55 -0.81 0.23 0.00 0.00 176.35 177.15 2aff n PRO 42 N 4.84 0.10 -0.28 1.29 -0.04 -1.26 -2.45 135.00 137.21 2aff n PRO 42 Ca -0.05 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 2aff n PRO 42 Cb 0.50 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.41 0.78 -3.35 0.52 0.24 -1.26 -4.94 118.33 108.91 2aff n VAL 43 Ca 0.06 -0.89 -0.38 0.00 -2.04 0.00 0.00 64.34 61.09 2aff n VAL 43 Cb 0.18 0.71 -0.06 0.00 -1.47 0.00 0.00 33.84 33.20 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 -1.19 4.95 0.96 3.34 1.01 -1.02 -5.00 120.40 123.45 2aff s VAL 44 Ca 0.43 1.04 -0.11 0.00 0.00 0.00 0.00 61.98 63.33 2aff s VAL 44 Cb 0.23 -3.82 0.17 0.00 0.00 0.00 0.00 36.38 32.96 2aff s VAL 44 CO 0.31 0.50 1.09 -0.55 0.00 0.00 0.00 175.10 176.45 2aff s SER 45 N -0.61 2.78 0.15 3.32 0.15 -1.26 -4.24 113.70 114.00 2aff s SER 45 Ca 0.27 1.66 -0.15 0.00 0.70 0.00 0.00 55.95 58.43 2aff s SER 45 Cb -0.17 -2.30 0.02 0.00 -1.71 0.00 0.00 66.02 61.86 2aff s SER 45 CO 0.15 -3.10 1.72 0.11 1.20 0.00 0.00 173.24 173.32 2aff h LYS 46 N -1.87 0.67 0.00 5.44 1.57 -1.93 0.55 116.57 121.00 2aff h LYS 46 Ca -0.51 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.16 2aff h LYS 46 Cb 1.29 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 2aff h LYS 46 CO 0.51 0.58 -1.32 1.04 -0.57 0.00 0.00 179.45 179.69 2aff n GLN 47 N -4.63 0.37 0.00 3.15 6.02 -1.26 -2.59 117.38 118.43 2aff n GLN 47 Ca 0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2aff n GLN 47 Cb 0.12 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.22 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 -1.76 0.00 -4.54 1.08 -0.00 -1.18 -3.94 115.22 104.88 2aff n HIS 48 Ca -0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.47 2aff n HIS 48 Cb 0.21 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.04 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 0.28 2.16 -0.09 0.00 2.20 -0.41 0.06 119.74 123.94 2aff s LYS 50 Ca -0.06 -0.57 0.01 0.00 -0.36 0.00 0.00 55.97 54.99 2aff s LYS 50 Cb -0.11 -1.71 -0.02 0.00 -1.51 0.00 0.00 37.83 34.47 2aff s LYS 50 CO 0.02 0.08 -0.13 0.42 -0.36 0.00 0.00 175.35 175.37 2aff s ILE 51 N 0.56 3.09 -0.15 5.43 1.01 0.27 0.75 121.20 132.17 2aff s ILE 51 Ca -0.16 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.83 2aff s ILE 51 Cb -0.17 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.05 2aff s ILE 51 CO 0.05 0.56 -0.20 -1.61 0.00 0.00 0.00 174.94 173.74 2aff s GLU 52 N -0.16 3.07 -0.33 2.79 2.02 0.23 -1.58 118.70 124.73 2aff s GLU 52 Ca -0.00 -0.83 -0.10 0.00 0.02 0.00 0.00 54.97 54.06 2aff s GLU 52 Cb -0.13 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.61 2aff s GLU 52 CO 0.03 -0.01 0.17 0.42 0.02 0.00 0.00 175.26 175.89 2aff s ILE 53 N 0.83 4.61 -0.01 -1.63 1.01 0.95 -0.83 121.20 126.13 2aff s ILE 53 Ca -0.06 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.10 2aff s ILE 53 Cb -0.15 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 2aff s ILE 53 CO -0.02 -0.02 -0.14 -1.00 0.00 0.00 0.00 174.94 173.76 2aff s HIS 54 N 1.60 2.69 0.54 3.97 3.76 0.39 -4.86 115.29 123.38 2aff s HIS 54 Ca 0.04 -0.17 0.47 0.00 -0.15 0.00 0.00 55.06 55.25 2aff s HIS 54 Cb -0.18 -1.58 1.70 0.00 1.11 0.00 0.00 32.58 33.64 2aff s HIS 54 CO 0.06 0.23 1.57 0.93 -0.85 0.00 0.00 174.74 176.69 2aff h GLU 55 N 4.97 0.00 0.18 1.40 5.08 -2.01 0.40 114.58 124.60 2aff h GLU 55 Ca -0.47 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 2aff h GLU 55 Cb 1.16 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2aff h GLU 55 CO 0.50 0.00 -0.09 1.96 -1.00 0.00 0.00 179.01 180.38 2aff h GLN 56 N 0.00 -0.24 0.00 2.33 4.20 -2.01 -3.49 115.11 115.91 2aff h GLN 56 Ca 0.93 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.66 2aff h GLN 56 Cb 3.62 0.05 0.00 0.00 0.30 0.00 0.00 27.48 31.45 2aff h GLN 56 CO -0.10 -0.16 0.00 -1.91 -0.67 0.00 0.00 178.83 176.00 2aff n GLU 57 N -2.72 0.00 -4.56 1.46 4.07 0.14 -5.16 120.64 113.87 2aff n GLU 57 Ca -0.03 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.74 2aff n GLU 57 Cb 0.10 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.33 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 -1.04 2.63 -0.11 4.31 0.00 -1.26 -0.46 121.76 125.83 2aff s ALA 58 Ca 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.01 2aff s ALA 58 Cb 0.00 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 2aff s ALA 58 CO 0.00 0.07 -0.18 0.42 0.00 0.00 0.00 175.76 176.07 2aff s ILE 59 N 0.64 2.66 -0.18 0.00 1.01 -0.01 0.93 121.20 126.25 2aff s ILE 59 Ca -0.07 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 2aff s ILE 59 Cb -0.15 -2.07 -0.05 0.00 0.01 0.00 0.00 42.46 40.19 2aff s ILE 59 CO 0.03 0.54 0.19 -0.22 0.00 0.00 0.00 174.94 175.48 2aff s LEU 60 N 0.25 4.23 -0.06 2.97 2.96 -0.07 -0.60 118.68 128.36 2aff s LEU 60 Ca -0.12 0.34 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 2aff s LEU 60 Cb -0.16 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 2aff s LEU 60 CO 0.06 0.16 -0.19 -1.00 -1.32 0.00 0.00 176.35 174.06 2aff s HIS 61 N 0.36 2.59 -0.46 5.38 3.76 0.23 -2.06 115.29 125.09 2aff s HIS 61 Ca 0.11 -0.41 -0.16 0.00 -0.15 0.00 0.00 55.06 54.45 2aff s HIS 61 Cb -0.12 -1.63 0.05 0.00 1.11 0.00 0.00 32.58 32.00 2aff s HIS 61 CO 0.00 -0.00 0.41 1.21 -0.85 0.00 0.00 174.74 175.51 2aff s ASN 62 N -0.43 6.16 0.00 1.40 3.04 -1.26 -1.29 114.94 122.55 2aff s ASN 62 Ca 0.05 -1.12 0.23 0.00 0.04 0.00 0.00 52.86 52.05 2aff s ASN 62 Cb -0.12 -2.20 0.03 0.00 -1.54 0.00 0.00 41.25 37.42 2aff s ASN 62 CO 0.02 -0.63 1.09 0.49 -3.04 0.00 0.00 177.10 175.03 2aff n PHE 63 N 5.37 0.00 -2.07 0.43 3.01 -0.48 -4.84 117.46 118.87 2aff n PHE 63 Ca -0.11 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.96 2aff n PHE 63 Cb 0.45 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.86 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 -2.72 5.38 0.00 4.37 0.01 -0.16 -4.62 113.70 115.95 2aff s SER 64 Ca 0.14 0.38 0.27 0.00 1.31 0.00 0.00 55.95 58.05 2aff s SER 64 Cb 0.17 -2.53 0.87 0.00 0.21 0.00 0.00 66.02 64.75 2aff s SER 64 CO 0.69 -2.29 1.66 -1.20 0.41 0.00 0.00 173.24 172.52 2aff n SER 65 N 12.34 0.38 -0.12 2.44 7.64 -1.26 -3.35 113.62 131.69 2aff n SER 65 Ca 0.20 -0.13 -0.18 0.00 1.01 0.00 0.00 58.87 59.77 2aff n SER 65 Cb 0.51 -0.04 -0.12 0.00 -1.01 0.00 0.00 64.21 63.55 2aff n SER 65 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2aff n THR 66 N -1.34 1.49 -3.45 0.44 -1.04 -1.26 -4.86 114.28 104.26 2aff n THR 66 Ca 0.08 -0.59 -0.25 0.00 -2.04 0.00 0.00 64.05 61.25 2aff n THR 66 Cb 0.33 -1.38 -0.11 0.00 -1.82 0.00 0.00 70.33 67.34 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 -6.49 2.56 0.57 8.00 0.01 -1.25 -5.14 114.94 113.20 2aff s ASN 67 Ca -0.33 -1.65 -0.19 0.00 -0.71 0.00 0.00 52.86 49.97 2aff s ASN 67 Cb 0.09 -0.06 -0.06 0.00 0.41 0.00 0.00 41.25 41.63 2aff s ASN 67 CO 0.62 -0.34 0.99 -2.65 -1.51 0.00 0.00 177.10 174.21 2aff n PRO 68 N 4.54 1.01 -2.46 -0.60 -0.02 -1.21 -4.68 135.00 131.59 2aff n PRO 68 Ca 0.06 0.39 -0.35 0.00 -2.02 0.00 0.00 63.50 61.58 2aff n PRO 68 Cb 0.41 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 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 -1.47 3.59 -0.04 3.45 2.01 -1.26 -4.88 115.64 117.04 2aff s THR 69 Ca 0.74 1.01 0.04 0.00 0.31 0.00 0.00 61.69 63.79 2aff s THR 69 Cb -0.43 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 2aff s THR 69 CO 0.49 -0.19 -0.14 -1.10 -0.69 0.00 0.00 174.62 172.98 2aff s GLN 70 N -3.18 2.47 -0.04 4.92 -0.21 -0.69 -1.56 119.66 121.37 2aff s GLN 70 Ca 0.68 -0.72 0.03 0.00 0.02 0.00 0.00 55.36 55.38 2aff s GLN 70 Cb -0.19 -2.37 0.00 0.00 1.00 0.00 0.00 33.01 31.45 2aff s GLN 70 CO 0.23 0.62 -0.13 0.54 -2.12 0.00 0.00 175.29 174.42 2aff s VAL 71 N -0.76 1.14 -0.83 1.09 0.11 0.39 0.16 120.40 121.70 2aff s VAL 71 Ca 0.12 -0.55 -0.01 0.00 -2.93 0.00 0.00 61.98 58.61 2aff s VAL 71 Cb -0.11 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.75 2aff s VAL 71 CO 0.01 0.34 0.04 0.59 -3.33 0.00 0.00 175.10 172.75 2aff n ASN 72 N 3.29 -3.22 -0.77 3.54 3.02 -0.19 0.18 115.26 121.12 2aff n ASN 72 Ca -0.19 0.21 -0.07 0.00 -0.03 0.00 0.00 54.58 54.50 2aff n ASN 72 Cb 0.53 -2.76 -0.01 0.00 -0.61 0.00 0.00 39.78 36.93 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 -0.77 0.25 2.93 7.41 0.00 -1.26 -5.03 105.19 108.73 2aff n GLY 73 Ca -0.10 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 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 0.82 0.44 1.61 0.01 0.49 -5.09 113.70 109.26 2aff s SER 74 Ca 0.00 -0.12 -0.24 0.00 1.31 0.00 0.00 55.95 56.90 2aff s SER 74 Cb 0.00 -0.26 -0.08 0.00 0.21 0.00 0.00 66.02 65.90 2aff s SER 74 CO 0.00 0.01 1.20 0.54 0.41 0.00 0.00 173.24 175.41 2aff s VAL 75 N 0.37 2.95 -0.57 3.43 0.11 -1.26 0.15 120.40 125.58 2aff s VAL 75 Ca -0.05 0.76 0.04 0.00 -2.93 0.00 0.00 61.98 59.80 2aff s VAL 75 Cb -0.09 -3.40 0.15 0.00 -1.53 0.00 0.00 36.38 31.51 2aff s VAL 75 CO -0.00 0.03 0.34 0.27 -3.33 0.00 0.00 175.10 172.41 2aff s ILE 76 N -1.44 2.42 0.29 7.04 -4.36 -0.60 -4.85 121.20 119.69 2aff s ILE 76 Ca 0.61 -3.52 0.32 0.00 -0.26 0.00 0.00 60.65 57.81 2aff s ILE 76 Cb -0.32 -2.65 0.35 0.00 1.25 0.00 0.00 42.46 41.10 2aff s ILE 76 CO 0.39 -0.91 2.05 -2.24 0.24 0.00 0.00 174.94 174.48 2aff h ASP 77 N 6.10 0.00 -2.11 4.36 2.03 -1.95 -3.43 116.42 121.42 2aff h ASP 77 Ca 0.03 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.74 2aff h ASP 77 Cb 0.85 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.22 2aff h ASP 77 CO 0.65 0.07 -0.60 -1.61 -1.03 0.00 0.00 179.24 176.72 2aff s GLU 78 N -3.89 1.87 0.48 4.15 2.02 -1.26 -4.88 118.70 117.19 2aff s GLU 78 Ca -0.01 -2.06 -0.24 0.00 0.02 0.00 0.00 54.97 52.68 2aff s GLU 78 Cb 0.11 -1.40 -0.07 0.00 0.10 0.00 0.00 34.13 32.87 2aff s GLU 78 CO 0.55 -0.10 1.34 -2.14 0.02 0.00 0.00 175.26 174.92 2aff s PRO 79 N -3.77 3.56 -0.00 0.39 0.02 -1.26 -4.75 135.00 129.18 2aff s PRO 79 Ca 0.35 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.58 2aff s PRO 79 Cb 0.09 -2.50 0.00 0.00 0.02 0.00 0.00 34.50 32.11 2aff s PRO 79 CO 0.17 -0.85 -0.01 0.54 -0.33 0.00 0.00 177.00 176.52 2aff s VAL 80 N -1.30 0.07 0.12 3.83 0.11 -0.88 -4.98 120.40 117.37 2aff s VAL 80 Ca 0.64 -0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 59.36 2aff s VAL 80 Cb -0.39 -0.07 -0.07 0.00 -1.53 0.00 0.00 36.38 34.32 2aff s VAL 80 CO 0.49 0.02 1.15 -0.13 -3.33 0.00 0.00 175.10 173.30 2aff s ARG 81 N 0.01 4.50 0.15 1.54 0.52 -1.26 -0.89 118.95 123.53 2aff s ARG 81 Ca 0.00 1.75 -0.27 0.00 -0.52 0.00 0.00 55.73 56.70 2aff s ARG 81 Cb -0.01 -3.31 -0.07 0.00 0.52 0.00 0.00 34.95 32.08 2aff s ARG 81 CO -0.00 -0.10 0.83 -0.51 0.02 0.00 0.00 175.30 175.53 2aff s LEU 82 N 0.34 4.57 0.08 2.53 1.43 0.26 -4.91 118.68 122.98 2aff s LEU 82 Ca 0.54 1.69 0.06 0.00 -1.03 0.00 0.00 54.13 55.39 2aff s LEU 82 Cb -0.30 -3.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 2aff s LEU 82 CO 0.32 0.14 -0.17 -0.54 0.23 0.00 0.00 176.35 176.33 2aff s LYS 83 N -0.84 0.95 -0.12 1.70 1.02 -1.26 -4.48 119.74 116.71 2aff s LYS 83 Ca 0.38 -1.01 -0.35 0.00 0.02 0.00 0.00 55.97 55.02 2aff s LYS 83 Cb -0.23 -1.06 -0.12 0.00 -0.52 0.00 0.00 37.83 35.90 2aff s LYS 83 CO 0.27 0.24 1.88 1.58 -0.92 0.00 0.00 175.35 178.40 2aff n HIS 84 N 1.29 2.28 0.00 3.18 -0.00 -1.26 -0.66 115.22 120.05 2aff n HIS 84 Ca -0.20 0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 2aff n HIS 84 Cb 0.54 -2.64 0.00 0.00 -0.00 0.00 0.00 29.99 27.89 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 4.45 1.97 3.75 1.57 0.00 -0.26 -4.99 105.19 111.68 2aff n GLY 85 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.66 6.96 -0.12 1.61 1.01 0.17 -4.80 116.67 119.84 2aff s ASP 86 Ca 0.00 2.45 -0.01 0.00 0.71 0.00 0.00 52.55 55.69 2aff s ASP 86 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2aff s ASP 86 CO 0.00 -0.42 -0.08 -0.69 0.21 0.00 0.00 175.17 174.19 2aff s VAL 87 N -0.60 3.56 -0.18 -1.27 1.01 -1.26 -2.02 120.40 119.64 2aff s VAL 87 Ca 0.51 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 2aff s VAL 87 Cb -0.36 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 2aff s VAL 87 CO 0.43 0.53 0.12 -0.63 0.00 0.00 0.00 175.10 175.56 2aff s ILE 88 N 0.04 5.34 -0.16 2.22 1.01 -0.70 -1.02 121.20 127.93 2aff s ILE 88 Ca -0.02 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.81 2aff s ILE 88 Cb -0.14 -3.41 0.02 0.00 0.01 0.00 0.00 42.46 38.94 2aff s ILE 88 CO 0.03 0.48 -0.20 -0.89 0.00 0.00 0.00 174.94 174.37 2aff s THR 89 N 0.05 1.98 -0.24 2.92 2.01 0.43 -0.14 115.64 122.66 2aff s THR 89 Ca 0.09 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.12 2aff s THR 89 Cb -0.11 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 2aff s THR 89 CO -0.00 0.53 0.04 -0.63 -0.69 0.00 0.00 174.62 173.86 2aff s ILE 90 N 1.16 3.99 0.00 1.82 1.01 1.00 -1.70 121.20 128.48 2aff s ILE 90 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.35 2aff s ILE 90 Cb -0.14 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.46 2aff s ILE 90 CO -0.09 0.35 0.00 -0.38 0.00 0.00 0.00 174.94 174.82 2aff n ILE 91 N 4.88 0.00 -0.25 2.92 5.41 -1.26 0.32 119.36 131.37 2aff n ILE 91 Ca -0.17 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.64 2aff n ILE 91 Cb 0.51 0.00 0.17 0.00 -0.71 0.00 0.00 39.64 39.61 2aff n ILE 91 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2aff n ASP 92 N 1.80 3.08 -4.14 4.38 5.75 -1.26 -4.98 116.55 121.18 2aff n ASP 92 Ca 0.00 -2.08 -0.20 0.00 -0.01 0.00 0.00 54.79 52.50 2aff n ASP 92 Cb 0.00 -0.27 -0.13 0.00 -1.03 0.00 0.00 41.12 39.68 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2aff s ARG 93 N -1.15 0.94 0.03 0.11 0.52 0.94 -4.86 118.95 115.48 2aff s ARG 93 Ca 0.26 -0.75 -0.00 0.00 -0.52 0.00 0.00 55.73 54.72 2aff s ARG 93 Cb 0.15 -0.95 -0.02 0.00 0.52 0.00 0.00 34.95 34.65 2aff s ARG 93 CO 0.16 0.23 -0.03 -1.54 0.02 0.00 0.00 175.30 174.14 2aff s SER 94 N -1.11 0.33 -0.10 0.23 1.04 -1.26 0.33 113.70 113.16 2aff s SER 94 Ca 0.02 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.86 2aff s SER 94 Cb -0.08 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.17 2aff s SER 94 CO 0.01 -0.35 -0.15 -0.36 0.98 0.00 0.00 173.24 173.37 2aff s PHE 95 N -1.93 1.94 -0.02 5.02 0.40 0.81 -2.51 117.98 121.69 2aff s PHE 95 Ca -0.11 -0.89 -0.24 0.00 -0.60 0.00 0.00 56.93 55.09 2aff s PHE 95 Cb -0.07 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 2aff s PHE 95 CO -0.03 -0.45 0.74 1.03 0.70 0.00 0.00 175.22 177.21 2aff s ARG 96 N 0.91 4.46 -0.23 0.44 0.52 -0.63 -1.72 118.95 122.71 2aff s ARG 96 Ca -0.08 0.98 -0.10 0.00 -0.52 0.00 0.00 55.73 56.00 2aff s ARG 96 Cb -0.15 -3.41 -0.05 0.00 0.52 0.00 0.00 34.95 31.86 2aff s ARG 96 CO -0.00 0.15 0.15 -0.47 0.02 0.00 0.00 175.30 175.15 2aff s TYR 97 N 0.45 3.31 -0.08 -0.53 5.04 -0.86 -1.05 117.35 123.62 2aff s TYR 97 Ca 0.39 0.20 -0.05 0.00 -2.44 0.00 0.00 57.07 55.16 2aff s TYR 97 Cb -0.19 -2.25 0.04 0.00 0.35 0.00 0.00 41.96 39.91 2aff s TYR 97 CO 0.21 0.07 0.19 -1.21 -1.34 0.00 0.00 175.55 173.47 2aff s GLU 98 N 0.98 0.17 -0.05 4.97 2.02 -0.72 -1.10 118.70 124.96 2aff s GLU 98 Ca 0.07 0.40 -0.10 0.00 0.02 0.00 0.00 54.97 55.36 2aff s GLU 98 Cb -0.13 -0.08 -0.05 0.00 0.10 0.00 0.00 34.13 33.97 2aff s GLU 98 CO 0.04 -0.13 0.27 -0.80 0.02 0.00 0.00 175.26 174.66 2aff s ASN 99 N 0.91 6.58 0.00 -0.19 0.01 -1.26 -2.09 114.94 118.90 2aff s ASN 99 Ca -0.07 0.69 0.05 0.00 -0.71 0.00 0.00 52.86 52.83 2aff s ASN 99 Cb -0.08 -2.15 0.32 0.00 0.41 0.00 0.00 41.25 39.75 2aff s ASN 99 CO -0.05 0.35 0.79 1.21 -1.51 0.00 0.00 177.10 177.89