#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 1.46 -3.09 0.52 2.02 -1.93 -3.45 112.91 108.44 2aff h THR 4 Ca 0.00 -1.75 -0.64 0.00 0.77 0.00 0.00 66.41 64.80 2aff h THR 4 Cb 0.00 2.44 -0.12 0.00 -1.74 0.00 0.00 68.15 68.73 2aff h THR 4 CO 0.00 0.49 -0.53 -0.13 0.37 0.00 0.00 175.52 175.73 2aff s ARG 5 N -3.54 3.74 0.05 6.66 0.52 -1.26 -0.61 118.95 124.50 2aff s ARG 5 Ca -0.15 -0.25 -0.04 0.00 -0.52 0.00 0.00 55.73 54.77 2aff s ARG 5 Cb 0.03 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 2aff s ARG 5 CO 0.76 0.49 0.05 -0.98 0.02 0.00 0.00 175.30 175.64 2aff s ARG 6 N -0.23 0.62 0.08 3.54 1.70 -0.66 -1.84 118.95 122.17 2aff s ARG 6 Ca 0.09 -0.97 0.10 0.00 -0.47 0.00 0.00 55.73 54.48 2aff s ARG 6 Cb -0.12 0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.46 2aff s ARG 6 CO 0.01 -0.14 -0.26 -0.51 -1.08 0.00 0.00 175.30 173.32 2aff s LEU 7 N -2.52 2.24 -0.14 -1.89 1.43 -0.79 -1.89 118.68 115.12 2aff s LEU 7 Ca 0.01 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 2aff s LEU 7 Cb 0.03 -1.20 -0.00 0.00 0.03 0.00 0.00 46.19 45.05 2aff s LEU 7 CO -0.08 0.20 -0.16 -0.69 0.23 0.00 0.00 176.35 175.86 2aff s VAL 8 N -0.94 2.69 0.21 -1.59 1.01 -0.94 -0.71 120.40 120.14 2aff s VAL 8 Ca 0.12 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2aff s VAL 8 Cb -0.10 -2.13 -0.08 0.00 0.00 0.00 0.00 36.38 34.07 2aff s VAL 8 CO 0.04 0.52 0.99 -0.89 0.00 0.00 0.00 175.10 175.75 2aff s THR 9 N 0.68 4.04 -0.16 3.92 2.01 -0.72 -1.78 115.64 123.63 2aff s THR 9 Ca -0.08 1.95 -0.07 0.00 0.31 0.00 0.00 61.69 63.80 2aff s THR 9 Cb -0.16 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 2aff s THR 9 CO 0.02 0.42 0.07 -0.63 -0.69 0.00 0.00 174.62 173.81 2aff s ILE 10 N -0.84 4.87 0.41 1.82 -1.09 -0.60 -2.07 121.20 123.70 2aff s ILE 10 Ca 0.44 -0.01 -0.09 0.00 -2.23 0.00 0.00 60.65 58.75 2aff s ILE 10 Cb -0.27 -3.17 -0.06 0.00 -1.58 0.00 0.00 42.46 37.39 2aff s ILE 10 CO 0.33 0.50 0.76 -0.54 -1.23 0.00 0.00 174.94 174.76 2aff s LYS 11 N 0.01 3.72 0.52 2.79 1.02 0.67 -4.45 119.74 124.02 2aff s LYS 11 Ca 0.06 0.39 0.18 0.00 0.02 0.00 0.00 55.97 56.62 2aff s LYS 11 Cb -0.12 -2.40 1.28 0.00 -0.52 0.00 0.00 37.83 36.07 2aff s LYS 11 CO 0.01 -0.06 2.10 0.00 -0.92 0.00 0.00 175.35 176.48 2aff h ARG 12 N 1.06 0.03 0.00 1.68 3.08 -1.87 0.39 114.38 118.76 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 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2aff h ARG 12 CO 0.63 0.02 0.00 1.03 -1.07 0.00 0.00 179.97 180.59 2aff h SER 13 N 0.04 0.00 -0.01 7.04 0.87 -1.95 -3.46 113.55 116.07 2aff h SER 13 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2aff h SER 13 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2aff h SER 13 CO -0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 2aff n GLY 14 N 0.60 1.62 3.28 5.77 0.00 0.14 -5.10 105.19 111.51 2aff n GLY 14 Ca 0.04 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.01 2.21 0.21 1.61 1.01 -1.24 -4.84 120.40 117.35 2aff s VAL 15 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 2aff s VAL 15 Cb 0.00 -1.83 -0.08 0.00 0.00 0.00 0.00 36.38 34.47 2aff s VAL 15 CO 0.00 0.57 1.11 -1.81 0.00 0.00 0.00 175.10 174.97 2aff s ASP 16 N -0.05 7.24 0.00 3.32 1.01 -1.26 -0.24 116.67 126.70 2aff s ASP 16 Ca -0.07 2.17 0.00 0.00 0.71 0.00 0.00 52.55 55.36 2aff s ASP 16 Cb -0.15 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.17 2aff s ASP 16 CO 0.05 -0.22 0.00 0.61 0.21 0.00 0.00 175.17 175.82 2aff n GLY 17 N 1.81 3.02 3.80 0.21 0.00 -0.88 -4.94 105.19 108.21 2aff n GLY 17 Ca 0.02 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 3.03 3.42 0.21 1.61 0.04 -1.26 -4.70 135.00 137.34 2aff s PRO 18 Ca 0.00 1.31 0.09 0.00 0.04 0.00 0.00 61.00 62.44 2aff s PRO 18 Cb 0.00 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2aff s PRO 18 CO 0.00 -0.74 -0.07 -3.38 0.04 0.00 0.00 177.00 172.84 2aff s HIS 19 N -2.23 2.65 -0.31 0.56 -3.43 -1.26 -1.75 115.29 109.52 2aff s HIS 19 Ca 0.66 -0.22 0.04 0.00 -0.80 0.00 0.00 55.06 54.73 2aff s HIS 19 Cb -0.17 -1.26 0.08 0.00 -1.43 0.00 0.00 32.58 29.80 2aff s HIS 19 CO 0.31 0.55 -0.01 0.12 -2.00 0.00 0.00 174.74 173.71 2aff s PHE 20 N -1.90 3.57 0.09 0.38 5.36 0.11 -4.96 117.98 120.64 2aff s PHE 20 Ca 0.27 -2.73 -0.31 0.00 -0.96 0.00 0.00 56.93 53.20 2aff s PHE 20 Cb -0.08 -2.53 -0.07 0.00 -0.34 0.00 0.00 43.02 40.01 2aff s PHE 20 CO 0.17 -0.92 1.26 -1.25 -1.46 0.00 0.00 175.22 173.02 2aff s PRO 21 N 0.98 4.40 -0.15 10.12 0.04 -1.26 -1.88 135.00 147.25 2aff s PRO 21 Ca 0.03 1.88 -0.03 0.00 0.04 0.00 0.00 61.00 62.92 2aff s PRO 21 Cb -0.19 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 2aff s PRO 21 CO -0.07 -0.30 2.75 1.28 0.04 0.00 0.00 177.00 180.70 2aff n LEU 22 N 3.81 5.74 0.24 -3.56 4.77 -0.77 -4.41 117.00 122.83 2aff n LEU 22 Ca 0.09 -3.19 0.11 0.00 -0.03 0.00 0.00 56.01 53.00 2aff n LEU 22 Cb 0.45 -1.24 0.72 0.00 -2.33 0.00 0.00 43.42 41.01 2aff n LEU 22 CO 0.57 1.45 1.10 0.28 -1.33 0.00 0.00 177.39 179.45 2aff h SER 23 N 2.22 0.00 -3.86 -1.43 0.02 -1.91 -3.41 113.55 105.18 2aff h SER 23 Ca 0.20 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.67 2aff h SER 23 Cb 1.11 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 2aff h SER 23 CO 0.40 0.00 0.39 -0.76 -1.14 0.00 0.00 176.83 175.71 2aff s LEU 24 N -8.66 4.39 0.60 5.07 1.43 -1.26 -4.94 118.68 115.31 2aff s LEU 24 Ca -0.05 1.98 0.37 0.00 -1.03 0.00 0.00 54.13 55.41 2aff s LEU 24 Cb 0.17 -3.91 1.87 0.00 0.03 0.00 0.00 46.19 44.35 2aff s LEU 24 CO 0.64 -0.14 2.18 0.77 0.23 0.00 0.00 176.35 180.04 2aff h SER 25 N 3.32 0.00 -3.75 2.29 4.64 -1.92 -3.42 113.55 114.70 2aff h SER 25 Ca -0.47 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.50 2aff h SER 25 Cb 1.20 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.99 2aff h SER 25 CO 0.65 0.02 -0.76 -0.89 -0.87 0.00 0.00 176.83 174.99 2aff s THR 26 N -4.01 0.45 -0.08 2.95 2.01 -1.26 -0.84 115.64 114.85 2aff s THR 26 Ca -0.02 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.80 2aff s THR 26 Cb 0.12 -0.42 0.02 0.00 0.01 0.00 0.00 72.50 72.23 2aff s THR 26 CO 0.49 0.16 -0.06 0.00 -0.69 0.00 0.00 174.62 174.52 2aff s LEU 28 N 1.39 2.48 -0.07 0.00 2.96 -1.26 -0.15 118.68 124.02 2aff s LEU 28 Ca -0.02 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.47 2aff s LEU 28 Cb -0.13 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2aff s LEU 28 CO -0.03 0.17 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.81 2aff s PHE 29 N 0.29 3.13 -4.95 5.38 0.40 0.14 0.13 117.98 122.51 2aff s PHE 29 Ca -0.13 0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 2aff s PHE 29 Cb -0.16 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.61 2aff s PHE 29 CO 0.07 0.46 0.00 0.41 0.70 0.00 0.00 175.22 176.85 2aff n GLY 30 N 1.97 -0.88 0.10 4.36 0.00 -0.94 -2.43 105.19 107.38 2aff n GLY 30 Ca -0.18 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 0.68 -1.07 1.61 0.63 0.14 -2.44 116.66 116.21 2aff n ARG 31 Ca 0.00 0.06 -0.34 0.00 -0.92 0.00 0.00 57.85 56.65 2aff n ARG 31 Cb 0.00 -1.55 0.12 0.00 0.45 0.00 0.00 32.46 31.48 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 1.83 -0.52 0.27 5.14 0.00 -1.01 -4.80 105.19 106.10 2aff n GLY 32 Ca -0.34 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.95 1.24 0.00 -0.61 6.09 -1.94 -2.42 117.51 118.92 2aff h ILE 33 Ca -0.46 -0.81 0.00 0.00 -1.37 0.00 0.00 64.86 62.23 2aff h ILE 33 Cb 1.30 0.67 0.00 0.00 0.47 0.00 0.00 36.82 39.26 2aff h ILE 33 CO 0.44 0.30 0.14 -0.33 -3.07 0.00 0.00 178.15 175.63 2aff h GLU 34 N 0.81 0.00 -6.44 2.19 3.07 -1.93 -3.42 114.58 108.87 2aff h GLU 34 Ca 0.19 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.52 2aff h GLU 34 Cb 0.28 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.22 2aff h GLU 34 CO -0.01 0.00 1.18 0.00 -1.40 0.00 0.00 179.01 178.78 2aff h ASP 36 N 9.55 0.14 -3.40 0.00 3.32 -0.56 -3.35 116.42 122.12 2aff h ASP 36 Ca -0.48 -0.00 -0.64 0.00 0.02 0.00 0.00 57.03 55.92 2aff h ASP 36 Cb 1.23 -0.03 -0.36 0.00 0.22 0.00 0.00 39.33 40.38 2aff h ASP 36 CO 0.95 0.10 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.11 2aff s ILE 37 N -5.19 1.88 -0.11 0.35 1.01 -0.29 -4.95 121.20 113.90 2aff s ILE 37 Ca -0.06 -1.11 -0.04 0.00 0.00 0.00 0.00 60.65 59.44 2aff s ILE 37 Cb 0.17 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 2aff s ILE 37 CO 0.69 0.25 0.05 -0.13 0.00 0.00 0.00 174.94 175.80 2aff s ARG 38 N 1.30 3.29 -0.10 2.79 0.52 -1.26 -2.22 118.95 123.28 2aff s ARG 38 Ca -0.01 -0.32 0.04 0.00 -0.52 0.00 0.00 55.73 54.92 2aff s ARG 38 Cb -0.16 -2.98 -0.00 0.00 0.52 0.00 0.00 34.95 32.33 2aff s ARG 38 CO -0.09 0.65 -0.23 0.42 0.02 0.00 0.00 175.30 176.07 2aff s ILE 39 N -0.71 2.14 0.00 1.52 1.01 -1.02 -5.00 121.20 119.14 2aff s ILE 39 Ca 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.77 2aff s ILE 39 Cb -0.12 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.53 2aff s ILE 39 CO 0.02 0.56 1.29 0.00 0.00 0.00 0.00 174.94 176.81 2aff n GLN 40 N 3.47 0.68 -4.82 2.79 6.02 -1.26 -4.71 117.38 119.54 2aff n GLN 40 Ca -0.19 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.52 2aff n GLN 40 Cb 0.53 -1.16 -0.17 0.00 1.02 0.00 0.00 30.24 30.46 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 1.83 0.10 1.08 1.43 -1.26 -5.02 118.68 116.84 2aff s LEU 41 Ca 0.00 -0.41 0.20 0.00 -1.03 0.00 0.00 54.13 52.89 2aff s LEU 41 Cb 0.00 -1.07 0.83 0.00 0.03 0.00 0.00 46.19 45.97 2aff s LEU 41 CO 0.00 0.08 1.63 -0.81 0.23 0.00 0.00 176.35 177.48 2aff n PRO 42 N 3.73 0.08 0.00 1.29 -0.04 -1.26 -2.38 135.00 136.42 2aff n PRO 42 Ca -0.21 0.27 0.14 0.00 -0.04 0.00 0.00 63.50 63.66 2aff n PRO 42 Cb 0.52 -1.64 0.65 0.00 -0.04 0.00 0.00 33.50 32.99 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 -1.79 0.00 -3.11 0.52 0.24 -1.26 -4.80 118.33 108.13 2aff n VAL 43 Ca 0.04 -0.06 -0.39 0.00 -2.04 0.00 0.00 64.34 61.89 2aff n VAL 43 Cb 0.23 -0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 32.40 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 -2.43 4.92 0.87 3.34 1.01 -1.00 -4.97 120.40 122.14 2aff s VAL 44 Ca 0.31 1.38 -0.11 0.00 0.00 0.00 0.00 61.98 63.56 2aff s VAL 44 Cb 0.20 -4.00 0.12 0.00 0.00 0.00 0.00 36.38 32.70 2aff s VAL 44 CO 0.46 0.35 1.11 -0.55 0.00 0.00 0.00 175.10 176.47 2aff s SER 45 N 0.18 3.48 0.16 3.32 0.15 -1.26 -4.24 113.70 115.49 2aff s SER 45 Ca 0.34 1.92 -0.14 0.00 0.70 0.00 0.00 55.95 58.77 2aff s SER 45 Cb -0.18 -2.49 0.04 0.00 -1.71 0.00 0.00 66.02 61.68 2aff s SER 45 CO 0.18 -2.70 1.75 0.11 1.20 0.00 0.00 173.24 173.78 2aff h LYS 46 N -1.59 0.71 0.00 5.44 1.57 -1.93 0.40 116.57 121.16 2aff h LYS 46 Ca -0.45 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2aff h LYS 46 Cb 1.26 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2aff h LYS 46 CO 0.47 0.57 -0.98 1.04 -0.57 0.00 0.00 179.45 179.99 2aff n GLN 47 N -4.63 1.13 0.00 3.15 6.02 -1.26 -2.40 117.38 119.40 2aff n GLN 47 Ca 0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2aff n GLN 47 Cb 0.10 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 30.36 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 -1.52 0.00 -4.34 1.08 -0.00 -1.13 -3.87 115.22 105.44 2aff n HIS 48 Ca -0.00 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.98 2aff n HIS 48 Cb 0.08 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.80 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 0.08 2.21 -0.13 0.00 2.20 -0.73 0.28 119.74 123.65 2aff s LYS 50 Ca -0.01 -0.57 -0.02 0.00 -0.36 0.00 0.00 55.97 55.01 2aff s LYS 50 Cb -0.07 -1.84 -0.03 0.00 -1.51 0.00 0.00 37.83 34.39 2aff s LYS 50 CO 0.00 -0.02 -0.06 0.42 -0.36 0.00 0.00 175.35 175.33 2aff s ILE 51 N 0.86 3.68 -0.11 5.43 1.01 0.78 -0.30 121.20 132.54 2aff s ILE 51 Ca -0.09 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.12 2aff s ILE 51 Cb -0.15 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 2aff s ILE 51 CO 0.01 0.52 -0.16 -1.61 0.00 0.00 0.00 174.94 173.70 2aff s GLU 52 N 0.15 3.20 -0.26 2.79 2.02 -0.71 -1.73 118.70 124.15 2aff s GLU 52 Ca -0.03 -0.73 -0.11 0.00 0.02 0.00 0.00 54.97 54.13 2aff s GLU 52 Cb -0.14 -2.53 -0.05 0.00 0.10 0.00 0.00 34.13 31.52 2aff s GLU 52 CO 0.03 0.26 0.17 0.42 0.02 0.00 0.00 175.26 176.16 2aff s ILE 53 N 0.21 5.27 -0.07 -1.63 -1.09 -0.02 -1.78 121.20 122.07 2aff s ILE 53 Ca -0.10 0.15 0.04 0.00 -2.23 0.00 0.00 60.65 58.52 2aff s ILE 53 Cb -0.16 -3.48 -0.00 0.00 -1.58 0.00 0.00 42.46 37.24 2aff s ILE 53 CO 0.06 0.30 -0.21 -1.00 -1.23 0.00 0.00 174.94 172.85 2aff s HIS 54 N 1.44 2.21 0.43 3.97 3.76 0.12 -4.94 115.29 122.27 2aff s HIS 54 Ca 0.07 -0.80 0.30 0.00 -0.15 0.00 0.00 55.06 54.48 2aff s HIS 54 Cb -0.15 -1.49 1.45 0.00 1.11 0.00 0.00 32.58 33.51 2aff s HIS 54 CO 0.08 -0.31 1.59 0.93 -0.85 0.00 0.00 174.74 176.18 2aff h GLU 55 N 6.52 0.03 0.29 1.40 5.08 -2.02 0.46 114.58 126.34 2aff h GLU 55 Ca -0.26 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2aff h GLU 55 Cb 1.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2aff h GLU 55 CO 0.47 0.02 -0.14 1.96 -1.00 0.00 0.00 179.01 180.32 2aff h GLN 56 N 0.03 -0.37 0.00 2.33 4.20 -2.02 -3.48 115.11 115.80 2aff h GLN 56 Ca 0.86 0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.60 2aff h GLN 56 Cb 2.67 0.08 0.00 0.00 0.30 0.00 0.00 27.48 30.53 2aff h GLN 56 CO -0.50 -0.25 0.00 -1.91 -0.67 0.00 0.00 178.83 175.50 2aff n GLU 57 N -3.17 0.00 -5.13 1.46 4.07 0.16 -5.16 120.64 112.87 2aff n GLU 57 Ca -0.05 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.73 2aff n GLU 57 Cb 0.15 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.37 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 -1.31 2.29 -0.11 4.31 0.00 -1.26 0.12 121.76 125.80 2aff s ALA 58 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2aff s ALA 58 Cb 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 23.12 22.27 2aff s ALA 58 CO 0.00 0.35 -0.21 0.42 0.00 0.00 0.00 175.76 176.32 2aff s ILE 59 N 0.06 2.30 -0.16 0.00 1.01 -0.74 0.18 121.20 123.85 2aff s ILE 59 Ca -0.09 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 59.48 2aff s ILE 59 Cb -0.15 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 2aff s ILE 59 CO 0.06 0.55 0.34 -0.22 0.00 0.00 0.00 174.94 175.67 2aff s LEU 60 N 0.35 4.23 -0.08 2.97 2.96 -0.07 -1.74 118.68 127.30 2aff s LEU 60 Ca -0.17 0.56 0.02 0.00 -0.22 0.00 0.00 54.13 54.32 2aff s LEU 60 Cb -0.17 -2.45 -0.02 0.00 0.50 0.00 0.00 46.19 44.04 2aff s LEU 60 CO 0.08 0.05 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.03 2aff s HIS 61 N 0.67 2.76 -0.45 5.38 3.76 0.58 -2.24 115.29 125.75 2aff s HIS 61 Ca 0.18 -0.32 -0.17 0.00 -0.15 0.00 0.00 55.06 54.60 2aff s HIS 61 Cb -0.14 -1.72 0.04 0.00 1.11 0.00 0.00 32.58 31.88 2aff s HIS 61 CO 0.06 0.05 0.45 1.21 -0.85 0.00 0.00 174.74 175.66 2aff s ASN 62 N -0.32 6.18 0.00 1.40 3.84 -1.26 -1.77 114.94 123.01 2aff s ASN 62 Ca 0.03 -0.93 0.22 0.00 0.21 0.00 0.00 52.86 52.38 2aff s ASN 62 Cb -0.13 -2.22 -0.14 0.00 -0.55 0.00 0.00 41.25 38.21 2aff s ASN 62 CO 0.03 -0.66 0.94 0.49 -2.79 0.00 0.00 177.10 175.11 2aff n PHE 63 N 5.57 0.01 -2.04 0.43 3.01 -0.08 -4.86 117.46 119.51 2aff n PHE 63 Ca -0.09 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.98 2aff n PHE 63 Cb 0.46 -0.07 -0.03 0.00 -0.01 0.00 0.00 39.48 39.82 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 -3.13 5.34 0.14 4.37 0.15 -0.50 -4.61 113.70 115.47 2aff s SER 64 Ca 0.07 0.42 0.25 0.00 0.70 0.00 0.00 55.95 57.40 2aff s SER 64 Cb 0.16 -2.53 0.61 0.00 -1.71 0.00 0.00 66.02 62.55 2aff s SER 64 CO 0.85 -2.30 1.56 -1.54 1.20 0.00 0.00 173.24 173.01 2aff n SER 65 N 12.47 0.70 -0.11 5.45 3.41 -1.26 -3.60 113.62 130.68 2aff n SER 65 Ca 0.20 0.32 -0.19 0.00 -0.26 0.00 0.00 58.87 58.94 2aff n SER 65 Cb 0.52 -0.29 -0.12 0.00 -0.26 0.00 0.00 64.21 64.05 2aff n SER 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2aff n THR 66 N -2.11 1.54 -3.56 6.66 -1.04 -1.26 -4.85 114.28 109.66 2aff n THR 66 Ca 0.05 -0.56 -0.29 0.00 -2.04 0.00 0.00 64.05 61.20 2aff n THR 66 Cb 0.42 -1.51 -0.13 0.00 -1.82 0.00 0.00 70.33 67.30 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 -6.67 3.37 0.46 8.00 0.01 -1.25 -5.13 114.94 113.73 2aff s ASN 67 Ca -0.33 -1.97 -0.24 0.00 -0.71 0.00 0.00 52.86 49.61 2aff s ASN 67 Cb 0.09 -0.56 -0.08 0.00 0.41 0.00 0.00 41.25 41.11 2aff s ASN 67 CO 0.62 -0.35 1.23 -2.65 -1.51 0.00 0.00 177.10 174.44 2aff n PRO 68 N 4.36 1.73 -2.31 -0.60 -0.02 -1.24 -4.67 135.00 132.26 2aff n PRO 68 Ca 0.05 0.62 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 2aff n PRO 68 Cb 0.38 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 2aff n PRO 68 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2aff s THR 69 N -1.25 3.30 -0.07 3.45 2.01 -1.26 -4.83 115.64 116.99 2aff s THR 69 Ca 0.64 1.17 -0.08 0.00 0.31 0.00 0.00 61.69 63.74 2aff s THR 69 Cb -0.49 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 2aff s THR 69 CO 0.55 0.23 0.22 -1.10 -0.69 0.00 0.00 174.62 173.83 2aff s GLN 70 N -0.82 3.55 -0.03 4.92 -0.21 -0.31 -2.27 119.66 124.50 2aff s GLN 70 Ca 0.51 -0.03 0.03 0.00 0.02 0.00 0.00 55.36 55.89 2aff s GLN 70 Cb -0.35 -3.17 -0.00 0.00 1.00 0.00 0.00 33.01 30.49 2aff s GLN 70 CO 0.41 0.73 -0.12 0.08 -2.12 0.00 0.00 175.29 174.28 2aff s VAL 71 N -1.11 1.00 -1.28 1.09 1.01 0.32 0.21 120.40 121.64 2aff s VAL 71 Ca 0.20 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2aff s VAL 71 Cb -0.13 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2aff s VAL 71 CO 0.09 0.30 0.23 0.59 0.00 0.00 0.00 175.10 176.31 2aff n ASN 72 N 3.14 -4.45 -1.09 3.32 3.02 0.11 0.53 115.26 119.84 2aff n ASN 72 Ca -0.17 -0.06 -0.10 0.00 -0.03 0.00 0.00 54.58 54.21 2aff n ASN 72 Cb 0.54 -3.71 -0.01 0.00 -0.61 0.00 0.00 39.78 35.99 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 -1.05 0.25 2.88 7.41 0.00 -1.26 -5.02 105.19 108.40 2aff n GLY 73 Ca -0.12 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.62 0.27 0.21 1.61 0.01 0.19 -5.11 113.70 108.25 2aff s SER 74 Ca 0.00 -0.03 -0.30 0.00 1.31 0.00 0.00 55.95 56.93 2aff s SER 74 Cb 0.00 -0.07 -0.09 0.00 0.21 0.00 0.00 66.02 66.08 2aff s SER 74 CO 0.00 -0.01 1.25 0.54 0.41 0.00 0.00 173.24 175.43 2aff s VAL 75 N 0.22 3.34 -0.06 3.43 0.11 -1.26 0.12 120.40 126.29 2aff s VAL 75 Ca -0.02 1.15 -0.01 0.00 -2.93 0.00 0.00 61.98 60.17 2aff s VAL 75 Cb -0.04 -3.73 0.03 0.00 -1.53 0.00 0.00 36.38 31.11 2aff s VAL 75 CO -0.01 0.19 0.00 -0.51 -3.33 0.00 0.00 175.10 171.45 2aff s ILE 76 N -0.15 0.31 -1.67 7.04 -1.16 -0.96 -4.90 121.20 119.71 2aff s ILE 76 Ca 0.54 0.13 0.19 0.00 -0.51 0.00 0.00 60.65 61.00 2aff s ILE 76 Cb -0.35 -0.46 -0.02 0.00 0.61 0.00 0.00 42.46 42.24 2aff s ILE 76 CO 0.39 0.24 0.95 -0.90 -2.81 0.00 0.00 174.94 172.80 2aff n ASP 77 N 4.95 1.75 -4.50 4.50 5.75 -1.26 -4.16 116.55 123.59 2aff n ASP 77 Ca -0.10 -1.38 -0.29 0.00 -0.01 0.00 0.00 54.79 53.01 2aff n ASP 77 Cb 0.50 0.50 -0.11 0.00 -1.03 0.00 0.00 41.12 40.98 2aff n ASP 77 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2aff s GLU 78 N -2.18 1.83 0.54 0.11 2.02 -1.26 -4.76 118.70 115.01 2aff s GLU 78 Ca 0.15 -1.23 -0.22 0.00 0.02 0.00 0.00 54.97 53.69 2aff s GLU 78 Cb 0.15 -2.10 -0.05 0.00 0.10 0.00 0.00 34.13 32.23 2aff s GLU 78 CO 0.49 0.46 1.37 -1.25 0.02 0.00 0.00 175.26 176.35 2aff s PRO 79 N -2.36 3.14 0.01 0.39 0.04 -1.26 -4.81 135.00 130.14 2aff s PRO 79 Ca 0.20 2.26 -0.02 0.00 0.04 0.00 0.00 61.00 63.48 2aff s PRO 79 Cb -0.10 -2.27 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 2aff s PRO 79 CO 0.11 -1.20 0.03 0.14 0.04 0.00 0.00 177.00 176.12 2aff s VAL 80 N -1.29 0.07 0.09 -0.36 -7.23 -0.95 -4.98 120.40 105.75 2aff s VAL 80 Ca 0.71 -0.62 -0.30 0.00 -1.81 0.00 0.00 61.98 59.96 2aff s VAL 80 Cb -0.41 -0.24 -0.06 0.00 0.56 0.00 0.00 36.38 36.22 2aff s VAL 80 CO 0.49 -0.34 1.20 -0.13 -0.31 0.00 0.00 175.10 176.01 2aff s ARG 81 N -1.04 4.45 0.13 4.82 0.52 -1.26 -0.89 118.95 125.67 2aff s ARG 81 Ca -0.11 1.79 -0.30 0.00 -0.52 0.00 0.00 55.73 56.59 2aff s ARG 81 Cb -0.07 -3.32 -0.06 0.00 0.52 0.00 0.00 34.95 32.02 2aff s ARG 81 CO -0.00 -0.22 1.01 -0.51 0.02 0.00 0.00 175.30 175.60 2aff s LEU 82 N 0.78 4.49 0.09 2.53 1.43 0.48 -4.91 118.68 123.57 2aff s LEU 82 Ca 0.57 1.89 0.08 0.00 -1.03 0.00 0.00 54.13 55.64 2aff s LEU 82 Cb -0.30 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.29 2aff s LEU 82 CO 0.31 -0.13 -0.21 -0.54 0.23 0.00 0.00 176.35 176.01 2aff s LYS 83 N -0.06 1.19 -0.06 1.70 1.02 -1.26 -4.41 119.74 117.86 2aff s LYS 83 Ca 0.48 -1.11 -0.34 0.00 0.02 0.00 0.00 55.97 55.02 2aff s LYS 83 Cb -0.25 -1.42 -0.12 0.00 -0.52 0.00 0.00 37.83 35.51 2aff s LYS 83 CO 0.31 0.34 1.84 1.58 -0.92 0.00 0.00 175.35 178.50 2aff n HIS 84 N 1.26 2.32 0.00 3.18 -0.00 -1.26 -0.93 115.22 119.78 2aff n HIS 84 Ca -0.19 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 2aff n HIS 84 Cb 0.53 -2.65 0.00 0.00 -0.00 0.00 0.00 29.99 27.88 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 4.27 2.82 3.74 1.57 0.00 -0.90 -4.99 105.19 111.70 2aff n GLY 85 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.42 6.78 -0.13 1.61 1.01 -0.11 -4.80 116.67 119.61 2aff s ASP 86 Ca 0.00 2.53 -0.02 0.00 0.71 0.00 0.00 52.55 55.77 2aff s ASP 86 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2aff s ASP 86 CO 0.00 -0.61 -0.06 -0.69 0.21 0.00 0.00 175.17 174.03 2aff s VAL 87 N 0.03 3.74 -0.18 -1.27 1.01 -1.26 -2.15 120.40 120.33 2aff s VAL 87 Ca 0.58 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 62.05 2aff s VAL 87 Cb -0.39 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2aff s VAL 87 CO 0.41 0.52 0.11 -0.63 0.00 0.00 0.00 175.10 175.51 2aff s ILE 88 N 0.06 5.21 -0.12 2.22 1.01 -1.03 0.04 121.20 128.59 2aff s ILE 88 Ca -0.01 0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.77 2aff s ILE 88 Cb -0.14 -3.34 0.02 0.00 0.01 0.00 0.00 42.46 39.01 2aff s ILE 88 CO 0.03 0.48 -0.15 -0.89 0.00 0.00 0.00 174.94 174.41 2aff s THR 89 N 0.06 1.53 -0.17 2.92 2.01 0.57 -1.24 115.64 121.33 2aff s THR 89 Ca 0.08 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.39 2aff s THR 89 Cb -0.12 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.96 2aff s THR 89 CO -0.00 0.45 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.71 2aff s ILE 90 N 1.10 3.77 0.00 1.82 1.01 0.69 -1.16 121.20 128.43 2aff s ILE 90 Ca -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.22 2aff s ILE 90 Cb -0.14 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.66 2aff s ILE 90 CO -0.04 0.48 0.00 -0.38 0.00 0.00 0.00 174.94 175.00 2aff n ILE 91 N 3.81 0.00 -0.64 2.92 5.41 -1.26 0.29 119.36 129.89 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 0.52 0.00 0.11 0.00 -0.71 0.00 0.00 39.64 39.56 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2aff n ASP 92 N 2.63 2.44 -4.21 4.38 2.03 -1.26 -5.00 116.55 117.56 2aff n ASP 92 Ca 0.00 -2.64 -0.27 0.00 0.52 0.00 0.00 54.79 52.40 2aff n ASP 92 Cb 0.00 -0.28 -0.16 0.00 -0.72 0.00 0.00 41.12 39.96 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 -2.11 1.78 0.04 -0.67 0.52 0.85 -4.71 118.95 114.64 2aff s ARG 93 Ca 0.22 -0.73 0.01 0.00 -0.52 0.00 0.00 55.73 54.71 2aff s ARG 93 Cb 0.18 -1.66 -0.03 0.00 0.52 0.00 0.00 34.95 33.96 2aff s ARG 93 CO 0.04 0.40 -0.06 0.45 0.02 0.00 0.00 175.30 176.15 2aff s SER 94 N -0.36 0.64 -0.11 0.23 0.15 -1.26 0.25 113.70 113.24 2aff s SER 94 Ca 0.05 -0.62 0.01 0.00 0.70 0.00 0.00 55.95 56.09 2aff s SER 94 Cb -0.09 0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.32 2aff s SER 94 CO 0.00 -0.30 -0.12 -0.36 1.20 0.00 0.00 173.24 173.67 2aff s PHE 95 N -1.85 1.75 0.10 3.44 0.40 -0.37 -1.55 117.98 119.90 2aff s PHE 95 Ca -0.08 -0.85 -0.27 0.00 -0.60 0.00 0.00 56.93 55.13 2aff s PHE 95 Cb -0.07 -1.33 -0.06 0.00 0.51 0.00 0.00 43.02 42.07 2aff s PHE 95 CO -0.01 -0.49 0.84 1.03 0.70 0.00 0.00 175.22 177.28 2aff s ARG 96 N 1.27 4.60 -0.23 0.44 0.52 -0.74 -2.47 118.95 122.35 2aff s ARG 96 Ca -0.02 1.23 -0.16 0.00 -0.52 0.00 0.00 55.73 56.26 2aff s ARG 96 Cb -0.14 -3.34 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 2aff s ARG 96 CO -0.05 0.33 0.43 -0.47 0.02 0.00 0.00 175.30 175.57 2aff s TYR 97 N -0.32 3.32 -0.12 -0.53 5.04 -0.91 -2.21 117.35 121.62 2aff s TYR 97 Ca 0.41 0.59 0.01 0.00 -2.44 0.00 0.00 57.07 55.63 2aff s TYR 97 Cb -0.22 -2.59 0.02 0.00 0.35 0.00 0.00 41.96 39.52 2aff s TYR 97 CO 0.26 -0.13 -0.12 -2.00 -1.34 0.00 0.00 175.55 172.23 2aff s GLU 98 N 1.73 1.94 -0.31 4.97 2.12 -0.79 -2.12 118.70 126.24 2aff s GLU 98 Ca 0.19 -0.43 -0.06 0.00 0.36 0.00 0.00 54.97 55.02 2aff s GLU 98 Cb -0.15 -1.80 0.02 0.00 0.26 0.00 0.00 34.13 32.46 2aff s GLU 98 CO 0.09 -0.18 0.08 1.21 -0.54 0.00 0.00 175.26 175.91 2aff s ASN 99 N 1.37 5.13 0.00 -1.70 3.84 -1.26 -1.65 114.94 120.67 2aff s ASN 99 Ca 0.00 -0.86 0.32 0.00 0.21 0.00 0.00 52.86 52.53 2aff s ASN 99 Cb -0.13 -1.86 1.87 0.00 -0.55 0.00 0.00 41.25 40.58 2aff s ASN 99 CO -0.06 -0.23 2.21 -0.62 -2.79 0.00 0.00 177.10 175.60