#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aff h THR 4 N 0.00 1.20 -3.59 3.45 2.02 -1.96 -3.39 112.91 110.64 2aff h THR 4 Ca 0.00 -0.54 -0.69 0.00 0.77 0.00 0.00 66.41 65.95 2aff h THR 4 Cb 0.00 0.49 -0.19 0.00 -1.74 0.00 0.00 68.15 66.72 2aff h THR 4 CO 0.00 0.22 -0.30 -0.13 0.37 0.00 0.00 175.52 175.68 2aff s ARG 5 N -5.77 3.27 -0.07 6.66 0.52 -1.26 -1.63 118.95 120.67 2aff s ARG 5 Ca -0.13 -0.68 0.04 0.00 -0.52 0.00 0.00 55.73 54.44 2aff s ARG 5 Cb 0.13 -3.90 0.00 0.00 0.52 0.00 0.00 34.95 31.70 2aff s ARG 5 CO 0.78 -0.68 -0.18 0.50 0.02 0.00 0.00 175.30 175.73 2aff s ARG 6 N 1.98 2.21 -0.13 3.54 3.52 -0.76 -1.88 118.95 127.43 2aff s ARG 6 Ca 0.10 -0.64 -0.03 0.00 -0.13 0.00 0.00 55.73 55.04 2aff s ARG 6 Cb -0.17 -1.78 -0.03 0.00 -1.56 0.00 0.00 34.95 31.41 2aff s ARG 6 CO 0.12 0.15 -0.04 -1.17 -0.81 0.00 0.00 175.30 173.54 2aff s LEU 7 N 0.37 3.24 -0.14 -0.88 2.96 -1.08 -2.21 118.68 120.94 2aff s LEU 7 Ca -0.13 -0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 53.66 2aff s LEU 7 Cb -0.15 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 2aff s LEU 7 CO 0.05 0.22 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.56 2aff s VAL 8 N 0.04 3.77 -0.38 1.68 1.01 -0.77 0.77 120.40 126.53 2aff s VAL 8 Ca -0.00 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 2aff s VAL 8 Cb -0.13 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.62 2aff s VAL 8 CO 0.03 0.51 0.62 -0.89 0.00 0.00 0.00 175.10 175.37 2aff s THR 9 N 0.18 4.89 0.27 3.92 2.01 -0.96 -1.61 115.64 124.35 2aff s THR 9 Ca -0.03 0.43 -0.25 0.00 0.31 0.00 0.00 61.69 62.16 2aff s THR 9 Cb -0.14 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.18 2aff s THR 9 CO 0.03 -0.38 0.87 -0.63 -0.69 0.00 0.00 174.62 173.82 2aff s ILE 10 N 2.70 4.31 0.40 1.82 1.01 -0.94 -2.07 121.20 128.44 2aff s ILE 10 Ca 0.23 1.70 -0.04 0.00 0.00 0.00 0.00 60.65 62.53 2aff s ILE 10 Cb -0.14 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 2aff s ILE 10 CO 0.16 0.23 0.68 -0.54 0.00 0.00 0.00 174.94 175.47 2aff s LYS 11 N -1.87 3.57 0.47 2.79 1.02 0.87 -4.50 119.74 122.10 2aff s LYS 11 Ca 0.46 0.07 0.16 0.00 0.02 0.00 0.00 55.97 56.67 2aff s LYS 11 Cb -0.19 -2.50 1.13 0.00 -0.52 0.00 0.00 37.83 35.75 2aff s LYS 11 CO 0.24 -0.02 2.03 0.00 -0.92 0.00 0.00 175.35 176.68 2aff h ARG 12 N 0.74 0.25 0.00 1.68 3.08 -1.88 0.46 114.38 118.71 2aff h ARG 12 Ca -0.48 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2aff h ARG 12 Cb 1.20 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2aff h ARG 12 CO 0.63 0.17 0.00 -1.13 -1.07 0.00 0.00 179.97 178.56 2aff n SER 13 N -4.47 0.00 -0.18 7.04 3.41 -1.26 -4.89 113.62 113.27 2aff n SER 13 Ca 0.06 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2aff n SER 13 Cb 0.32 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 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 1.36 0.97 3.17 5.00 0.00 0.16 -5.10 105.19 110.75 2aff n GLY 14 Ca 0.10 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.34 1.79 0.16 1.61 1.01 -1.23 -4.84 120.40 116.56 2aff s VAL 15 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 2aff s VAL 15 Cb 0.00 -1.55 -0.07 0.00 0.00 0.00 0.00 36.38 34.75 2aff s VAL 15 CO 0.00 0.50 1.18 -1.81 0.00 0.00 0.00 175.10 174.97 2aff s ASP 16 N 0.32 7.12 0.00 3.32 1.01 -1.26 -0.09 116.67 127.10 2aff s ASP 16 Ca -0.15 2.16 0.00 0.00 0.71 0.00 0.00 52.55 55.28 2aff s ASP 16 Cb -0.16 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.17 2aff s ASP 16 CO 0.06 -0.36 0.00 0.61 0.21 0.00 0.00 175.17 175.70 2aff n GLY 17 N 2.35 2.83 3.80 0.21 0.00 -0.88 -4.94 105.19 108.56 2aff n GLY 17 Ca 0.05 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 3.35 3.47 0.25 1.61 0.04 -1.26 -4.76 135.00 137.71 2aff s PRO 18 Ca 0.00 1.26 0.08 0.00 0.04 0.00 0.00 61.00 62.38 2aff s PRO 18 Cb 0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2aff s PRO 18 CO 0.00 -0.69 0.13 -3.38 0.04 0.00 0.00 177.00 173.10 2aff s HIS 19 N -2.29 2.98 -0.42 0.56 -3.43 -1.26 -2.26 115.29 109.17 2aff s HIS 19 Ca 0.65 -0.14 0.02 0.00 -0.80 0.00 0.00 55.06 54.78 2aff s HIS 19 Cb -0.16 -1.34 0.13 0.00 -1.43 0.00 0.00 32.58 29.78 2aff s HIS 19 CO 0.32 0.55 0.20 0.12 -2.00 0.00 0.00 174.74 173.93 2aff s PHE 20 N -2.19 2.18 0.10 0.38 5.36 0.23 -4.96 117.98 119.09 2aff s PHE 20 Ca 0.32 -2.43 -0.32 0.00 -0.96 0.00 0.00 56.93 53.54 2aff s PHE 20 Cb -0.07 -2.03 -0.11 0.00 -0.34 0.00 0.00 43.02 40.46 2aff s PHE 20 CO 0.23 -0.81 1.79 -2.30 -1.46 0.00 0.00 175.22 172.68 2aff n PRO 21 N 3.77 2.59 -0.95 10.12 -0.02 -1.26 -2.63 135.00 146.61 2aff n PRO 21 Ca 0.06 0.94 -0.16 0.00 -2.02 0.00 0.00 63.50 62.32 2aff n PRO 21 Cb 0.36 -2.80 0.01 0.00 -0.02 0.00 0.00 33.50 31.04 2aff n PRO 21 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2aff n LEU 22 N 5.31 6.26 0.30 2.45 4.77 -0.79 -4.50 117.00 130.81 2aff n LEU 22 Ca 0.18 -3.31 0.18 0.00 -0.03 0.00 0.00 56.01 53.04 2aff n LEU 22 Cb 0.34 -1.12 1.01 0.00 -2.33 0.00 0.00 43.42 41.33 2aff n LEU 22 CO 0.66 1.31 1.15 -1.28 -1.33 0.00 0.00 177.39 177.91 2aff h SER 23 N 1.76 0.00 -3.89 -1.43 0.87 -1.89 -3.42 113.55 105.54 2aff h SER 23 Ca 0.26 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.34 2aff h SER 23 Cb 0.92 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.89 2aff h SER 23 CO 0.65 0.00 0.40 -0.76 -0.53 0.00 0.00 176.83 176.59 2aff s LEU 24 N -7.09 4.31 0.59 2.23 1.43 -1.26 -4.93 118.68 113.96 2aff s LEU 24 Ca -0.05 2.03 0.37 0.00 -1.03 0.00 0.00 54.13 55.45 2aff s LEU 24 Cb 0.14 -3.98 1.72 0.00 0.03 0.00 0.00 46.19 44.09 2aff s LEU 24 CO 0.49 -0.26 2.12 0.77 0.23 0.00 0.00 176.35 179.69 2aff h SER 25 N 3.06 0.00 -3.39 2.29 4.64 -1.89 -3.41 113.55 114.85 2aff h SER 25 Ca -0.47 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.33 2aff h SER 25 Cb 1.21 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.96 2aff h SER 25 CO 0.64 0.01 -0.81 -0.89 -0.87 0.00 0.00 176.83 174.91 2aff s THR 26 N -3.85 1.13 -0.23 2.95 2.01 -1.26 -0.64 115.64 115.75 2aff s THR 26 Ca -0.01 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.54 2aff s THR 26 Cb 0.10 -1.05 0.05 0.00 0.01 0.00 0.00 72.50 71.62 2aff s THR 26 CO 0.50 0.36 -0.11 0.00 -0.69 0.00 0.00 174.62 174.68 2aff s LEU 28 N 1.25 2.77 -0.11 0.00 2.96 -1.26 -0.46 118.68 123.81 2aff s LEU 28 Ca -0.05 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 53.47 2aff s LEU 28 Cb -0.18 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 2aff s LEU 28 CO -0.07 0.09 0.01 -0.36 -1.32 0.00 0.00 176.35 174.70 2aff s PHE 29 N 0.78 3.17 -4.91 5.38 0.40 0.75 0.45 117.98 123.99 2aff s PHE 29 Ca -0.04 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 2aff s PHE 29 Cb -0.15 -1.87 0.00 0.00 0.51 0.00 0.00 43.02 41.51 2aff s PHE 29 CO 0.01 0.35 0.00 0.41 0.70 0.00 0.00 175.22 176.69 2aff n GLY 30 N 2.59 -1.87 0.08 4.36 0.00 -0.76 -2.45 105.19 107.15 2aff n GLY 30 Ca -0.18 -1.25 -0.05 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 0.00 -7.12 1.61 3.08 -1.31 -3.17 114.38 107.47 2aff h ARG 31 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 2aff h ARG 31 Cb 0.00 0.00 0.15 0.00 0.08 0.00 0.00 29.97 30.20 2aff h ARG 31 CO 0.00 0.89 0.48 0.20 -1.07 0.00 0.00 179.97 180.47 2aff s GLY 32 N -4.65 2.71 0.15 0.04 0.00 -1.12 -4.84 107.32 99.60 2aff s GLY 32 Ca 0.01 1.09 -0.13 0.00 0.00 0.00 0.00 44.72 45.69 2aff s GLY 32 CO 0.80 1.50 1.65 -2.22 0.00 0.00 0.00 173.10 174.83 2aff h ILE 33 N 0.41 1.24 -0.44 0.90 2.04 -1.91 -1.78 117.51 117.97 2aff h ILE 33 Ca -0.50 -0.88 0.13 0.00 1.00 0.00 0.00 64.86 64.60 2aff h ILE 33 Cb 1.32 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2aff h ILE 33 CO 0.53 0.32 0.47 -0.33 0.00 0.00 0.00 178.15 179.13 2aff h GLU 34 N 0.69 0.00 -6.28 2.37 4.39 -1.96 -3.40 114.58 110.39 2aff h GLU 34 Ca 0.15 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.28 2aff h GLU 34 Cb 0.36 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.03 2aff h GLU 34 CO 0.01 0.00 1.22 0.00 -1.16 0.00 0.00 179.01 179.07 2aff h ASP 36 N 10.59 0.00 -3.27 0.00 3.32 -0.22 -3.37 116.42 123.46 2aff h ASP 36 Ca -0.48 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.09 2aff h ASP 36 Cb 1.25 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.44 2aff h ASP 36 CO 0.95 0.00 -0.79 -0.63 -1.72 0.00 0.00 179.24 177.05 2aff s ILE 37 N -4.49 0.80 -0.07 0.35 1.01 -0.43 -4.95 121.20 113.41 2aff s ILE 37 Ca -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 2aff s ILE 37 Cb 0.14 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 2aff s ILE 37 CO 0.49 0.32 -0.01 -0.13 0.00 0.00 0.00 174.94 175.60 2aff s ARG 38 N 1.52 2.91 -0.11 2.79 0.52 -1.26 -1.83 118.95 123.51 2aff s ARG 38 Ca 0.00 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 54.79 2aff s ARG 38 Cb -0.13 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.60 2aff s ARG 38 CO -0.05 0.69 -0.22 0.42 0.02 0.00 0.00 175.30 176.16 2aff s ILE 39 N -0.89 1.95 0.00 1.52 1.01 -1.20 -4.99 121.20 118.61 2aff s ILE 39 Ca 0.14 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2aff s ILE 39 Cb -0.11 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.66 2aff s ILE 39 CO 0.03 0.53 0.65 0.00 0.00 0.00 0.00 174.94 176.15 2aff n GLN 40 N 3.69 0.53 -4.58 2.79 6.02 -1.26 -4.69 117.38 119.88 2aff n GLN 40 Ca -0.20 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.46 2aff n GLN 40 Cb 0.53 -1.24 -0.12 0.00 1.02 0.00 0.00 30.24 30.43 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 3.09 0.00 1.08 1.43 -1.26 -5.01 118.68 118.01 2aff s LEU 41 Ca 0.00 -0.14 0.17 0.00 -1.03 0.00 0.00 54.13 53.13 2aff s LEU 41 Cb 0.00 -1.71 0.77 0.00 0.03 0.00 0.00 46.19 45.28 2aff s LEU 41 CO 0.00 0.24 1.54 -0.81 0.23 0.00 0.00 176.35 177.55 2aff n PRO 42 N 3.04 0.06 -0.10 1.29 -0.04 -1.26 -2.52 135.00 135.48 2aff n PRO 42 Ca -0.18 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 2aff n PRO 42 Cb 0.53 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.45 0.27 -2.92 0.52 0.24 -1.26 -4.85 118.33 108.88 2aff n VAL 43 Ca 0.05 -0.63 -0.43 0.00 -2.04 0.00 0.00 64.34 61.29 2aff n VAL 43 Cb 0.18 1.21 -0.04 0.00 -1.47 0.00 0.00 33.84 33.73 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 -1.65 4.46 0.75 3.34 1.01 -1.05 -5.00 120.40 122.26 2aff s VAL 44 Ca 0.32 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 2aff s VAL 44 Cb 0.20 -4.61 -0.13 0.00 0.00 0.00 0.00 36.38 31.85 2aff s VAL 44 CO 0.29 -1.32 -0.85 -0.24 0.00 0.00 0.00 175.10 172.98 2aff n SER 45 N 7.33 -3.56 -0.18 3.32 2.88 -1.26 -3.50 113.62 118.65 2aff n SER 45 Ca -0.05 0.08 -0.08 0.00 -1.33 0.00 0.00 58.87 57.49 2aff n SER 45 Cb 0.45 -0.49 0.01 0.00 -0.75 0.00 0.00 64.21 63.44 2aff n SER 45 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2aff h LYS 46 N -0.75 0.77 0.00 -1.46 1.57 -1.94 -1.96 116.57 112.80 2aff h LYS 46 Ca -0.31 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.26 2aff h LYS 46 Cb 1.01 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 2aff h LYS 46 CO 0.17 0.70 -1.50 1.04 -0.57 0.00 0.00 179.45 179.28 2aff n GLN 47 N -4.53 1.08 0.00 3.15 1.13 -1.26 -2.78 117.38 114.18 2aff n GLN 47 Ca 0.02 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 2aff n GLN 47 Cb 0.17 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.29 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 -2.01 0.00 -4.46 1.08 -0.00 -1.20 -4.01 115.22 104.63 2aff n HIS 48 Ca -0.06 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.91 2aff n HIS 48 Cb 0.44 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.16 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 0.05 1.53 -0.06 0.00 2.20 -0.63 -0.18 119.74 122.66 2aff s LYS 50 Ca -0.01 -0.35 0.03 0.00 -0.36 0.00 0.00 55.97 55.28 2aff s LYS 50 Cb -0.08 -1.31 -0.02 0.00 -1.51 0.00 0.00 37.83 34.91 2aff s LYS 50 CO 0.00 -0.01 -0.15 0.42 -0.36 0.00 0.00 175.35 175.26 2aff s ILE 51 N 0.75 2.98 -0.17 5.43 1.01 0.39 0.75 121.20 132.34 2aff s ILE 51 Ca -0.13 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.78 2aff s ILE 51 Cb -0.15 -2.17 0.01 0.00 0.01 0.00 0.00 42.46 40.15 2aff s ILE 51 CO 0.03 0.58 -0.17 -1.61 0.00 0.00 0.00 174.94 173.76 2aff s GLU 52 N -0.55 3.11 -0.33 2.79 0.41 0.18 -1.91 118.70 122.38 2aff s GLU 52 Ca 0.08 -0.79 -0.11 0.00 -0.41 0.00 0.00 54.97 53.74 2aff s GLU 52 Cb -0.11 -2.61 0.00 0.00 -1.78 0.00 0.00 34.13 29.62 2aff s GLU 52 CO 0.01 -0.11 0.19 0.42 -0.49 0.00 0.00 175.26 175.28 2aff s ILE 53 N 1.09 4.73 -0.06 -1.63 1.01 0.19 -1.03 121.20 125.50 2aff s ILE 53 Ca -0.00 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.16 2aff s ILE 53 Cb -0.14 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 2aff s ILE 53 CO -0.06 -0.03 -0.09 -1.00 0.00 0.00 0.00 174.94 173.76 2aff s HIS 54 N 1.62 2.88 0.56 3.97 3.76 0.61 -4.86 115.29 123.83 2aff s HIS 54 Ca 0.04 -0.03 0.42 0.00 -0.15 0.00 0.00 55.06 55.35 2aff s HIS 54 Cb -0.18 -1.69 1.44 0.00 1.11 0.00 0.00 32.58 33.27 2aff s HIS 54 CO 0.07 0.29 1.45 -1.91 -0.85 0.00 0.00 174.74 173.79 2aff n GLU 55 N 2.26 0.00 0.08 1.40 2.13 -1.26 0.57 120.64 125.81 2aff n GLU 55 Ca -0.18 1.04 -0.03 0.00 0.66 0.00 0.00 57.16 58.66 2aff n GLU 55 Cb 0.53 -2.47 -0.01 0.00 0.27 0.00 0.00 31.44 29.75 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2aff h GLN 56 N 0.00 -0.19 0.00 5.31 1.08 -2.01 -3.49 115.11 115.81 2aff h GLN 56 Ca 0.78 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 58.00 2aff h GLN 56 Cb 3.46 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 30.93 2aff h GLN 56 CO -0.01 -0.13 0.00 -0.85 -0.95 0.00 0.00 178.83 176.89 2aff n GLU 57 N -2.65 0.00 -4.55 1.46 0.28 0.19 -5.16 120.64 110.22 2aff n GLU 57 Ca -0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.64 2aff n GLU 57 Cb 0.08 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.81 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 -1.10 2.74 -0.11 -1.84 0.00 -1.26 -0.28 121.76 119.91 2aff s ALA 58 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2aff s ALA 58 Cb 0.00 -1.37 -0.00 0.00 0.00 0.00 0.00 23.12 21.74 2aff s ALA 58 CO 0.00 0.14 -0.21 0.42 0.00 0.00 0.00 175.76 176.10 2aff s ILE 59 N 0.53 2.29 -0.18 0.00 1.01 -0.20 0.14 121.20 124.78 2aff s ILE 59 Ca -0.07 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.51 2aff s ILE 59 Cb -0.15 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 2aff s ILE 59 CO 0.03 0.55 0.30 -0.22 0.00 0.00 0.00 174.94 175.60 2aff s LEU 60 N 0.35 4.21 -0.07 2.97 2.96 -0.33 -0.65 118.68 128.13 2aff s LEU 60 Ca -0.17 0.45 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 2aff s LEU 60 Cb -0.17 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.12 2aff s LEU 60 CO 0.08 0.06 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.05 2aff s HIS 61 N 0.73 2.78 -0.45 5.38 3.76 0.23 -2.13 115.29 125.59 2aff s HIS 61 Ca 0.16 -0.17 -0.15 0.00 -0.15 0.00 0.00 55.06 54.74 2aff s HIS 61 Cb -0.13 -1.68 0.05 0.00 1.11 0.00 0.00 32.58 31.93 2aff s HIS 61 CO 0.05 0.17 0.37 1.21 -0.85 0.00 0.00 174.74 175.68 2aff s ASN 62 N -0.60 6.14 0.00 1.40 3.84 -1.26 -1.60 114.94 122.86 2aff s ASN 62 Ca 0.09 -1.15 0.22 0.00 0.21 0.00 0.00 52.86 52.23 2aff s ASN 62 Cb -0.11 -2.18 -0.05 0.00 -0.55 0.00 0.00 41.25 38.36 2aff s ASN 62 CO 0.01 -0.58 1.04 0.49 -2.79 0.00 0.00 177.10 175.27 2aff n PHE 63 N 5.22 0.00 -2.79 0.43 3.01 -0.70 -4.82 117.46 117.81 2aff n PHE 63 Ca -0.12 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.92 2aff n PHE 63 Cb 0.45 -0.03 -0.04 0.00 -0.01 0.00 0.00 39.48 39.86 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 -2.80 6.19 -0.02 4.37 0.15 -0.36 -4.64 113.70 116.60 2aff s SER 64 Ca 0.13 -0.79 0.11 0.00 0.70 0.00 0.00 55.95 56.09 2aff s SER 64 Cb 0.17 -2.45 -0.23 0.00 -1.71 0.00 0.00 66.02 61.80 2aff s SER 64 CO 0.74 -1.51 0.77 0.77 1.20 0.00 0.00 173.24 175.21 2aff h SER 65 N 9.64 0.02 -0.28 5.45 4.64 -1.91 -3.05 113.55 128.06 2aff h SER 65 Ca -0.28 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.98 2aff h SER 65 Cb 1.07 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 2aff h SER 65 CO 1.19 1.03 0.10 0.74 -0.87 0.00 0.00 176.83 179.02 2aff h THR 66 N 0.00 1.19 -2.61 2.95 2.02 -2.01 -3.40 112.91 111.05 2aff h THR 66 Ca -0.24 -0.60 -0.45 0.00 0.77 0.00 0.00 66.41 65.90 2aff h THR 66 Cb 1.97 1.06 -0.38 0.00 -1.74 0.00 0.00 68.15 69.06 2aff h THR 66 CO 0.09 0.20 -0.72 0.20 0.37 0.00 0.00 175.52 175.66 2aff s ASN 67 N -5.75 2.70 0.60 4.18 0.01 -1.26 -5.15 114.94 110.28 2aff s ASN 67 Ca -0.13 -0.98 -0.17 0.00 -0.71 0.00 0.00 52.86 50.86 2aff s ASN 67 Cb 0.08 -0.03 -0.03 0.00 0.41 0.00 0.00 41.25 41.68 2aff s ASN 67 CO 0.73 -0.41 1.13 -2.16 -1.51 0.00 0.00 177.10 174.88 2aff s PRO 68 N 2.20 3.08 0.43 -0.60 0.04 -1.15 -4.70 135.00 134.30 2aff s PRO 68 Ca 0.08 1.53 -0.24 0.00 0.04 0.00 0.00 61.00 62.41 2aff s PRO 68 Cb -0.15 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 2aff s PRO 68 CO -0.31 -1.05 1.15 0.99 0.04 0.00 0.00 177.00 177.81 2aff s THR 69 N -2.01 3.23 -0.02 1.26 2.01 -1.26 -4.82 115.64 114.02 2aff s THR 69 Ca 0.70 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.67 2aff s THR 69 Cb -0.23 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2aff s THR 69 CO 0.34 0.02 0.02 -1.10 -0.69 0.00 0.00 174.62 173.21 2aff s GLN 70 N -2.53 2.90 -0.03 4.92 -0.21 -0.77 -0.78 119.66 123.16 2aff s GLN 70 Ca 0.60 -0.53 0.03 0.00 0.02 0.00 0.00 55.36 55.48 2aff s GLN 70 Cb -0.28 -2.75 0.00 0.00 1.00 0.00 0.00 33.01 30.99 2aff s GLN 70 CO 0.35 0.65 -0.10 0.54 -2.12 0.00 0.00 175.29 174.61 2aff s VAL 71 N -1.06 0.84 -0.97 1.09 0.11 0.38 0.12 120.40 120.91 2aff s VAL 71 Ca 0.19 -0.40 -0.04 0.00 -2.93 0.00 0.00 61.98 58.80 2aff s VAL 71 Cb -0.12 -0.74 0.03 0.00 -1.53 0.00 0.00 36.38 34.03 2aff s VAL 71 CO 0.09 0.26 0.19 0.59 -3.33 0.00 0.00 175.10 172.90 2aff n ASN 72 N 3.22 -3.26 -0.79 3.54 3.02 -0.21 0.20 115.26 120.98 2aff n ASN 72 Ca -0.18 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.30 2aff n ASN 72 Cb 0.54 -2.77 -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 -0.89 0.28 2.85 7.41 0.00 -1.26 -5.03 105.19 108.55 2aff n GLY 73 Ca -0.07 -0.61 -0.16 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 0.40 0.31 1.61 0.01 0.52 -5.10 113.70 108.73 2aff s SER 74 Ca 0.00 -0.04 -0.29 0.00 1.31 0.00 0.00 55.95 56.93 2aff s SER 74 Cb 0.00 -0.17 -0.11 0.00 0.21 0.00 0.00 66.02 65.95 2aff s SER 74 CO 0.00 -0.05 1.55 -0.69 0.41 0.00 0.00 173.24 174.46 2aff s VAL 75 N 0.65 2.11 -0.79 3.43 1.01 -1.26 0.14 120.40 125.70 2aff s VAL 75 Ca -0.07 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 2aff s VAL 75 Cb -0.10 -3.06 0.21 0.00 0.00 0.00 0.00 36.38 33.43 2aff s VAL 75 CO -0.01 0.02 0.70 -0.51 0.00 0.00 0.00 175.10 175.30 2aff s ILE 76 N -0.32 5.16 0.31 2.22 2.07 0.05 -4.83 121.20 125.85 2aff s ILE 76 Ca 0.60 -2.64 0.01 0.00 -1.41 0.00 0.00 60.65 57.22 2aff s ILE 76 Cb -0.47 -4.21 0.17 0.00 0.13 0.00 0.00 42.46 38.07 2aff s ILE 76 CO 0.52 -1.00 1.87 0.44 -1.91 0.00 0.00 174.94 174.85 2aff h ASP 77 N 7.54 0.65 -3.41 4.50 3.32 -1.92 -3.43 116.42 123.67 2aff h ASP 77 Ca 0.08 -0.11 -0.44 0.00 0.02 0.00 0.00 57.03 56.58 2aff h ASP 77 Cb 1.01 -0.17 -0.14 0.00 0.22 0.00 0.00 39.33 40.25 2aff h ASP 77 CO 0.75 0.65 -0.64 -1.61 -1.72 0.00 0.00 179.24 176.67 2aff s GLU 78 N -5.16 1.53 0.40 3.56 8.01 -1.26 -4.96 118.70 120.81 2aff s GLU 78 Ca -0.09 -1.81 -0.26 0.00 0.01 0.00 0.00 54.97 52.82 2aff s GLU 78 Cb 0.16 -0.83 -0.10 0.00 -4.31 0.00 0.00 34.13 29.04 2aff s GLU 78 CO 0.78 -0.11 1.29 -2.30 0.01 0.00 0.00 175.26 174.93 2aff n PRO 79 N -0.58 2.03 -4.45 0.39 -0.02 -1.26 -4.86 135.00 126.26 2aff n PRO 79 Ca -0.04 0.72 -0.20 0.00 -2.02 0.00 0.00 63.50 61.96 2aff n PRO 79 Cb 0.65 -2.39 -0.15 0.00 -0.02 0.00 0.00 33.50 31.59 2aff n PRO 79 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2aff s VAL 80 N -1.17 0.84 0.09 -1.45 1.01 -0.90 -4.97 120.40 113.85 2aff s VAL 80 Ca 0.59 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 2aff s VAL 80 Cb -0.52 -0.73 -0.07 0.00 0.00 0.00 0.00 36.38 35.06 2aff s VAL 80 CO 0.59 0.25 1.36 -0.13 0.00 0.00 0.00 175.10 177.17 2aff s ARG 81 N -0.03 4.33 0.13 2.72 0.52 -1.26 -1.18 118.95 124.18 2aff s ARG 81 Ca 0.00 2.00 -0.27 0.00 -0.52 0.00 0.00 55.73 56.95 2aff s ARG 81 Cb -0.07 -3.32 -0.07 0.00 0.52 0.00 0.00 34.95 32.01 2aff s ARG 81 CO 0.00 -0.43 0.85 -0.51 0.02 0.00 0.00 175.30 175.23 2aff s LEU 82 N 1.32 4.54 0.10 2.53 1.43 0.36 -4.92 118.68 124.05 2aff s LEU 82 Ca 0.63 1.68 0.06 0.00 -1.03 0.00 0.00 54.13 55.48 2aff s LEU 82 Cb -0.35 -3.41 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 2aff s LEU 82 CO 0.29 0.08 -0.15 -0.54 0.23 0.00 0.00 176.35 176.26 2aff s LYS 83 N -0.56 0.97 -0.15 1.70 1.02 -1.26 -4.40 119.74 117.06 2aff s LYS 83 Ca 0.40 -1.15 -0.35 0.00 0.02 0.00 0.00 55.97 54.90 2aff s LYS 83 Cb -0.23 -0.93 -0.12 0.00 -0.52 0.00 0.00 37.83 36.03 2aff s LYS 83 CO 0.27 0.19 1.92 1.58 -0.92 0.00 0.00 175.35 178.40 2aff n HIS 84 N 0.82 2.20 0.00 3.18 -0.00 -1.26 -0.55 115.22 119.61 2aff n HIS 84 Ca -0.18 0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 2aff n HIS 84 Cb 0.56 -2.63 0.00 0.00 -0.00 0.00 0.00 29.99 27.91 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 1.50 3.71 1.57 0.00 -1.02 -4.98 105.19 110.68 2aff n GLY 85 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.89 6.92 -0.15 1.61 -1.08 0.29 -4.87 116.67 117.50 2aff s ASP 86 Ca 0.00 2.14 -0.03 0.00 -0.52 0.00 0.00 52.55 54.15 2aff s ASP 86 Cb 0.00 -2.58 -0.02 0.00 -1.46 0.00 0.00 42.92 38.86 2aff s ASP 86 CO 0.00 -0.61 -0.07 -0.69 0.52 0.00 0.00 175.17 174.32 2aff s VAL 87 N 1.51 3.59 -0.15 1.11 1.01 -1.26 -2.14 120.40 124.06 2aff s VAL 87 Ca 0.62 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 2aff s VAL 87 Cb -0.32 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 2aff s VAL 87 CO 0.28 0.50 0.25 -0.63 0.00 0.00 0.00 175.10 175.50 2aff s ILE 88 N 0.46 5.33 -0.10 2.22 1.01 -0.95 -1.04 121.20 128.12 2aff s ILE 88 Ca -0.05 0.45 0.03 0.00 0.00 0.00 0.00 60.65 61.07 2aff s ILE 88 Cb -0.15 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.76 2aff s ILE 88 CO 0.03 0.45 -0.19 -0.89 0.00 0.00 0.00 174.94 174.34 2aff s THR 89 N 0.06 1.76 -0.14 2.92 2.01 0.32 -0.43 115.64 122.15 2aff s THR 89 Ca 0.15 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.35 2aff s THR 89 Cb -0.13 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.83 2aff s THR 89 CO 0.04 0.49 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.61 2aff s ILE 90 N 0.66 2.03 0.00 1.82 1.01 0.71 -1.85 121.20 125.58 2aff s ILE 90 Ca -0.13 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.56 2aff s ILE 90 Cb -0.16 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.52 2aff s ILE 90 CO 0.03 0.54 0.00 -0.38 0.00 0.00 0.00 174.94 175.13 2aff n ILE 91 N 4.04 0.00 -0.60 2.92 2.08 -1.26 0.22 119.36 126.76 2aff n ILE 91 Ca -0.20 0.00 0.09 0.00 0.56 0.00 0.00 62.75 63.20 2aff n ILE 91 Cb 0.52 0.00 0.32 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 3.92 4.44 -4.28 4.38 8.00 -1.26 -4.94 116.55 126.81 2aff n ASP 92 Ca 0.00 -2.43 -0.27 0.00 0.71 0.00 0.00 54.79 52.80 2aff n ASP 92 Cb 0.00 -0.53 -0.14 0.00 -0.02 0.00 0.00 41.12 40.43 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 -1.80 1.48 0.02 -1.24 0.52 0.59 -4.64 118.95 113.88 2aff s ARG 93 Ca 0.47 -1.01 -0.02 0.00 -0.52 0.00 0.00 55.73 54.66 2aff s ARG 93 Cb 0.30 -1.63 -0.02 0.00 0.52 0.00 0.00 34.95 34.13 2aff s ARG 93 CO 0.23 0.41 0.00 -1.54 0.02 0.00 0.00 175.30 174.42 2aff s SER 94 N -1.25 0.24 -0.17 0.23 1.04 -1.26 0.26 113.70 112.79 2aff s SER 94 Ca 0.09 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 56.00 2aff s SER 94 Cb -0.09 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.19 2aff s SER 94 CO 0.02 -0.37 -0.21 -0.36 0.98 0.00 0.00 173.24 173.30 2aff s PHE 95 N -1.90 2.73 -0.01 5.02 0.40 0.43 -2.20 117.98 122.45 2aff s PHE 95 Ca -0.12 -1.54 -0.28 0.00 -0.60 0.00 0.00 56.93 54.39 2aff s PHE 95 Cb -0.06 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.55 2aff s PHE 95 CO -0.02 -0.74 0.91 1.03 0.70 0.00 0.00 175.22 177.10 2aff s ARG 96 N 1.14 4.54 -0.24 0.44 0.52 -0.63 -2.24 118.95 122.47 2aff s ARG 96 Ca 0.01 1.29 -0.14 0.00 -0.52 0.00 0.00 55.73 56.38 2aff s ARG 96 Cb -0.14 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 2aff s ARG 96 CO -0.09 -0.01 0.32 -0.47 0.02 0.00 0.00 175.30 175.07 2aff s TYR 97 N 0.90 3.30 -0.06 -0.53 5.04 -0.91 -1.84 117.35 123.25 2aff s TYR 97 Ca 0.48 0.41 0.03 0.00 -2.44 0.00 0.00 57.07 55.56 2aff s TYR 97 Cb -0.20 -2.47 0.01 0.00 0.35 0.00 0.00 41.96 39.65 2aff s TYR 97 CO 0.26 -0.08 -0.14 -1.21 -1.34 0.00 0.00 175.55 173.04 2aff s GLU 98 N 1.54 1.81 -0.13 4.97 2.02 -0.94 -2.44 118.70 125.53 2aff s GLU 98 Ca 0.14 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.63 2aff s GLU 98 Cb -0.15 -1.50 0.02 0.00 0.10 0.00 0.00 34.13 32.60 2aff s GLU 98 CO 0.08 0.10 -0.12 1.21 0.02 0.00 0.00 175.26 176.55 2aff s ASN 99 N 0.45 2.44 0.00 -0.19 3.84 -1.26 -1.83 114.94 118.40 2aff s ASN 99 Ca -0.12 -0.41 0.14 0.00 0.21 0.00 0.00 52.86 52.69 2aff s ASN 99 Cb -0.15 -1.04 0.11 0.00 -0.55 0.00 0.00 41.25 39.63 2aff s ASN 99 CO 0.04 -0.06 0.95 -0.62 -2.79 0.00 0.00 177.10 174.62