#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 0.80 -3.38 3.45 1.35 -1.96 -3.46 112.91 109.71 2aff h THR 4 Ca 0.00 -2.33 -0.58 0.00 -0.55 0.00 0.00 66.41 62.95 2aff h THR 4 Cb 0.00 2.51 -0.08 0.00 -1.73 0.00 0.00 68.15 68.85 2aff h THR 4 CO 0.00 0.74 0.05 -0.13 -0.25 0.00 0.00 175.52 175.93 2aff s ARG 5 N -2.50 4.31 -0.02 4.72 0.52 -1.26 0.13 118.95 124.84 2aff s ARG 5 Ca -0.23 0.66 0.05 0.00 -0.52 0.00 0.00 55.73 55.69 2aff s ARG 5 Cb 0.06 -3.51 -0.01 0.00 0.52 0.00 0.00 34.95 32.01 2aff s ARG 5 CO 0.74 -0.06 -0.16 1.03 0.02 0.00 0.00 175.30 176.87 2aff s ARG 6 N 1.28 1.41 -0.10 3.54 0.52 -0.21 -1.81 118.95 123.58 2aff s ARG 6 Ca 0.31 -0.57 0.03 0.00 -0.52 0.00 0.00 55.73 54.98 2aff s ARG 6 Cb -0.16 -1.32 -0.01 0.00 0.52 0.00 0.00 34.95 33.98 2aff s ARG 6 CO 0.13 0.31 -0.19 -1.17 0.02 0.00 0.00 175.30 174.39 2aff s LEU 7 N -0.23 2.38 -0.14 2.53 2.96 -0.18 -0.95 118.68 125.04 2aff s LEU 7 Ca 0.03 -0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 53.48 2aff s LEU 7 Cb -0.08 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 2aff s LEU 7 CO 0.00 0.19 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.50 2aff s VAL 8 N 0.18 3.92 0.05 1.68 1.01 -0.85 0.71 120.40 127.09 2aff s VAL 8 Ca -0.11 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 61.23 2aff s VAL 8 Cb -0.16 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2aff s VAL 8 CO 0.06 0.51 0.88 -0.89 0.00 0.00 0.00 175.10 175.66 2aff s THR 9 N 0.12 4.70 -0.12 3.92 2.01 -0.95 -1.85 115.64 123.48 2aff s THR 9 Ca -0.01 1.87 -0.05 0.00 0.31 0.00 0.00 61.69 63.81 2aff s THR 9 Cb -0.14 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 2aff s THR 9 CO 0.03 0.29 0.06 -0.63 -0.69 0.00 0.00 174.62 173.68 2aff s ILE 10 N 0.27 4.84 0.28 1.82 1.01 -0.44 -1.88 121.20 127.10 2aff s ILE 10 Ca 0.44 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 61.09 2aff s ILE 10 Cb -0.21 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 2aff s ILE 10 CO 0.26 0.58 0.43 -0.54 0.00 0.00 0.00 174.94 175.67 2aff s LYS 11 N -0.64 3.46 0.59 2.79 1.02 -0.79 -4.12 119.74 122.05 2aff s LYS 11 Ca 0.11 -0.60 0.29 0.00 0.02 0.00 0.00 55.97 55.79 2aff s LYS 11 Cb -0.12 -2.80 1.72 0.00 -0.52 0.00 0.00 37.83 36.11 2aff s LYS 11 CO 0.02 0.32 2.17 0.00 -0.92 0.00 0.00 175.35 176.94 2aff h ARG 12 N 1.01 0.00 0.00 1.68 3.08 -1.88 0.26 114.38 118.52 2aff h ARG 12 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2aff h ARG 12 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2aff h ARG 12 CO 0.61 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.38 2aff n SER 13 N -3.84 0.63 0.00 7.04 3.41 -1.26 -4.90 113.62 114.70 2aff n SER 13 Ca -0.00 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 2aff n SER 13 Cb 0.22 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 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 1.30 0.81 3.38 5.00 0.00 0.90 -5.08 105.19 111.50 2aff n GLY 14 Ca 0.06 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 2aff n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aff s VAL 15 N -2.00 2.75 0.29 1.61 -7.23 -1.25 -4.86 120.40 109.71 2aff s VAL 15 Ca 0.00 -0.81 -0.29 0.00 -1.81 0.00 0.00 61.98 59.07 2aff s VAL 15 Cb 0.00 -2.08 -0.09 0.00 0.56 0.00 0.00 36.38 34.77 2aff s VAL 15 CO 0.00 0.57 1.05 -1.81 -0.31 0.00 0.00 175.10 174.59 2aff s ASP 16 N -0.25 7.29 0.00 4.85 1.01 -1.26 -1.88 116.67 126.44 2aff s ASP 16 Ca 0.00 2.14 0.00 0.00 0.71 0.00 0.00 52.55 55.40 2aff s ASP 16 Cb -0.13 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.18 2aff s ASP 16 CO 0.03 -0.11 0.00 0.61 0.21 0.00 0.00 175.17 175.90 2aff n GLY 17 N 1.11 2.12 3.78 0.21 0.00 -0.79 -4.96 105.19 106.66 2aff n GLY 17 Ca -0.00 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 2.82 3.76 0.09 1.61 0.04 -1.26 -4.74 135.00 137.31 2aff s PRO 18 Ca 0.00 1.59 0.04 0.00 0.04 0.00 0.00 61.00 62.67 2aff s PRO 18 Cb 0.00 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 2aff s PRO 18 CO 0.00 -0.51 0.02 -3.38 0.04 0.00 0.00 177.00 173.17 2aff s HIS 19 N -1.72 3.03 -0.25 0.56 -3.43 -1.26 -2.24 115.29 109.98 2aff s HIS 19 Ca 0.65 -0.00 0.02 0.00 -0.80 0.00 0.00 55.06 54.93 2aff s HIS 19 Cb -0.23 -1.55 0.05 0.00 -1.43 0.00 0.00 32.58 29.42 2aff s HIS 19 CO 0.28 0.49 -0.12 0.12 -2.00 0.00 0.00 174.74 173.51 2aff s PHE 20 N -1.33 3.19 -0.12 0.38 5.36 0.22 -4.98 117.98 120.70 2aff s PHE 20 Ca 0.27 -2.18 -0.29 0.00 -0.96 0.00 0.00 56.93 53.76 2aff s PHE 20 Cb -0.12 -1.94 -0.01 0.00 -0.34 0.00 0.00 43.02 40.61 2aff s PHE 20 CO 0.19 -0.86 1.10 -1.25 -1.46 0.00 0.00 175.22 172.94 2aff s PRO 21 N 1.14 4.35 -0.36 10.12 0.04 -1.26 -1.01 135.00 148.02 2aff s PRO 21 Ca -0.06 1.50 -0.06 0.00 0.04 0.00 0.00 61.00 62.41 2aff s PRO 21 Cb -0.19 -3.59 -0.20 0.00 0.04 0.00 0.00 34.50 30.56 2aff s PRO 21 CO -0.06 -0.46 3.13 1.28 0.04 0.00 0.00 177.00 180.93 2aff n LEU 22 N 5.52 5.41 -0.25 -3.56 4.77 -0.75 -4.48 117.00 123.65 2aff n LEU 22 Ca 0.11 -3.14 -0.06 0.00 -0.03 0.00 0.00 56.01 52.88 2aff n LEU 22 Cb 0.47 -1.30 0.05 0.00 -2.33 0.00 0.00 43.42 40.31 2aff n LEU 22 CO 0.53 1.50 1.07 -1.28 -1.33 0.00 0.00 177.39 177.89 2aff h SER 23 N 3.85 0.89 -4.01 -1.43 0.87 -1.91 -3.43 113.55 108.38 2aff h SER 23 Ca 0.32 -0.12 -0.51 0.00 -1.23 0.00 0.00 61.79 60.25 2aff h SER 23 Cb 1.07 -0.23 0.07 0.00 -0.44 0.00 0.00 62.40 62.87 2aff h SER 23 CO 0.62 0.75 0.49 -0.76 -0.53 0.00 0.00 176.83 177.40 2aff s LEU 24 N -9.89 3.99 0.38 2.23 1.43 -1.26 -4.91 118.68 110.66 2aff s LEU 24 Ca -0.13 2.33 0.28 0.00 -1.03 0.00 0.00 54.13 55.58 2aff s LEU 24 Cb 0.14 -4.25 1.25 0.00 0.03 0.00 0.00 46.19 43.36 2aff s LEU 24 CO 0.80 -0.97 1.84 0.77 0.23 0.00 0.00 176.35 179.01 2aff h SER 25 N 1.98 0.00 -3.70 2.29 4.64 -1.91 -3.42 113.55 113.42 2aff h SER 25 Ca -0.49 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.37 2aff h SER 25 Cb 1.25 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 63.02 2aff h SER 25 CO 0.60 0.00 -0.80 -0.89 -0.87 0.00 0.00 176.83 174.87 2aff s THR 26 N -3.53 0.88 -0.19 2.95 2.01 -1.26 -1.06 115.64 115.45 2aff s THR 26 Ca 0.01 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.63 2aff s THR 26 Cb 0.09 -0.80 0.04 0.00 0.01 0.00 0.00 72.50 71.84 2aff s THR 26 CO 0.40 0.28 -0.11 0.00 -0.69 0.00 0.00 174.62 174.50 2aff s LEU 28 N 1.42 2.64 -0.07 0.00 2.96 -1.26 -0.39 118.68 123.98 2aff s LEU 28 Ca 0.00 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.47 2aff s LEU 28 Cb -0.15 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2aff s LEU 28 CO -0.09 0.07 0.06 -0.36 -1.32 0.00 0.00 176.35 174.71 2aff s PHE 29 N 0.90 3.31 -5.00 5.38 0.40 0.95 -0.23 117.98 123.69 2aff s PHE 29 Ca -0.03 0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.59 2aff s PHE 29 Cb -0.15 -1.82 0.00 0.00 0.51 0.00 0.00 43.02 41.57 2aff s PHE 29 CO -0.00 0.56 0.00 0.41 0.70 0.00 0.00 175.22 176.89 2aff n GLY 30 N 1.87 -1.38 0.10 4.36 0.00 -0.93 -2.41 105.19 106.80 2aff n GLY 30 Ca -0.18 -1.37 -0.03 0.00 0.00 0.00 0.00 46.02 44.44 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 1.26 0.00 -6.72 1.61 3.08 -1.07 -2.87 114.38 109.68 2aff h ARG 31 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2aff h ARG 31 Cb 0.00 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.15 2aff h ARG 31 CO 0.00 0.77 0.60 0.41 -1.07 0.00 0.00 179.97 180.69 2aff n GLY 32 N 1.29 0.78 0.32 0.04 0.00 -1.05 -4.80 105.19 101.77 2aff n GLY 32 Ca 0.01 0.39 -0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 2.83 1.26 0.00 -0.61 6.09 -1.90 -1.55 117.51 123.63 2aff h ILE 33 Ca -0.46 -1.04 0.00 0.00 -1.37 0.00 0.00 64.86 61.99 2aff h ILE 33 Cb 1.27 0.63 0.00 0.00 0.47 0.00 0.00 36.82 39.19 2aff h ILE 33 CO 0.69 0.39 0.20 1.21 -3.07 0.00 0.00 178.15 177.57 2aff n GLU 34 N -4.22 0.08 -2.32 2.19 2.13 -1.26 -4.59 120.64 112.65 2aff n GLU 34 Ca 0.04 0.52 -0.41 0.00 0.66 0.00 0.00 57.16 57.98 2aff n GLU 34 Cb 0.29 -1.95 -0.03 0.00 0.27 0.00 0.00 31.44 30.02 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 4.19 0.49 -3.22 0.00 3.32 -0.85 -3.39 116.42 116.96 2aff h ASP 36 Ca -0.47 -0.04 -0.55 0.00 0.02 0.00 0.00 57.03 55.99 2aff h ASP 36 Cb 1.22 -0.12 -0.36 0.00 0.22 0.00 0.00 39.33 40.29 2aff h ASP 36 CO 0.69 0.43 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.20 2aff s ILE 37 N -5.30 1.24 -0.08 0.35 1.01 -0.55 -4.96 121.20 112.91 2aff s ILE 37 Ca -0.08 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.13 2aff s ILE 37 Cb 0.17 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 2aff s ILE 37 CO 0.75 0.40 -0.10 -0.60 0.00 0.00 0.00 174.94 175.39 2aff s ARG 38 N 1.37 2.89 -0.10 2.79 3.52 -1.26 -2.18 118.95 125.98 2aff s ARG 38 Ca -0.00 -0.61 0.04 0.00 -0.13 0.00 0.00 55.73 55.03 2aff s ARG 38 Cb -0.14 -2.58 0.00 0.00 -1.56 0.00 0.00 34.95 30.68 2aff s ARG 38 CO -0.06 0.53 -0.23 0.42 -0.81 0.00 0.00 175.30 175.15 2aff s ILE 39 N -0.47 1.99 -0.06 4.11 1.01 -1.08 -4.98 121.20 121.72 2aff s ILE 39 Ca 0.07 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 59.73 2aff s ILE 39 Cb -0.12 -1.72 0.04 0.00 0.01 0.00 0.00 42.46 40.67 2aff s ILE 39 CO 0.02 0.55 1.86 0.00 0.00 0.00 0.00 174.94 177.36 2aff n GLN 40 N 3.51 1.14 -4.00 2.79 10.64 -1.26 -4.47 117.38 125.73 2aff n GLN 40 Ca -0.19 -0.28 -0.35 0.00 -1.83 0.00 0.00 57.00 54.35 2aff n GLN 40 Cb 0.53 -1.11 -0.09 0.00 -0.86 0.00 0.00 30.24 28.71 2aff n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2aff s LEU 41 N -0.33 3.92 0.08 2.61 1.43 -1.26 -4.98 118.68 120.15 2aff s LEU 41 Ca 0.06 0.17 0.17 0.00 -1.03 0.00 0.00 54.13 53.49 2aff s LEU 41 Cb 0.04 -1.98 0.72 0.00 0.03 0.00 0.00 46.19 45.01 2aff s LEU 41 CO 0.00 0.24 1.53 -0.81 0.23 0.00 0.00 176.35 177.54 2aff n PRO 42 N 3.12 0.06 -0.14 1.29 -0.04 -1.26 -2.24 135.00 135.79 2aff n PRO 42 Ca -0.17 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 2aff n PRO 42 Cb 0.53 -1.61 0.26 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 -1.72 0.37 -3.59 0.52 0.24 -1.26 -4.90 118.33 108.00 2aff n VAL 43 Ca 0.03 -0.59 -0.37 0.00 -2.04 0.00 0.00 64.34 61.37 2aff n VAL 43 Cb 0.19 0.80 -0.07 0.00 -1.47 0.00 0.00 33.84 33.29 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 -1.63 5.28 0.89 3.34 1.01 -0.95 -4.88 120.40 123.46 2aff s VAL 44 Ca 0.36 0.55 -0.12 0.00 0.00 0.00 0.00 61.98 62.77 2aff s VAL 44 Cb 0.21 -3.61 0.12 0.00 0.00 0.00 0.00 36.38 33.10 2aff s VAL 44 CO 0.30 0.47 1.09 -0.44 0.00 0.00 0.00 175.10 176.52 2aff s SER 45 N -0.13 3.60 0.23 3.32 0.01 -1.26 -4.45 113.70 115.03 2aff s SER 45 Ca 0.18 1.41 -0.06 0.00 1.31 0.00 0.00 55.95 58.79 2aff s SER 45 Cb -0.14 -2.10 0.23 0.00 0.21 0.00 0.00 66.02 64.23 2aff s SER 45 CO 0.06 -2.55 1.80 0.11 0.41 0.00 0.00 173.24 173.07 2aff h LYS 46 N -1.49 1.10 0.00 12.44 1.57 -1.93 -0.61 116.57 127.66 2aff h LYS 46 Ca -0.49 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.09 2aff h LYS 46 Cb 1.29 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2aff h LYS 46 CO 0.56 0.91 -0.91 1.04 -0.57 0.00 0.00 179.45 180.47 2aff n GLN 47 N -4.28 2.03 0.00 3.15 6.02 -1.26 -2.53 117.38 120.51 2aff n GLN 47 Ca 0.07 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2aff n GLN 47 Cb 0.19 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.43 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 -1.50 0.00 -4.33 1.08 -0.00 -1.02 -3.86 115.22 105.59 2aff n HIS 48 Ca -0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.53 2aff n HIS 48 Cb 0.14 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 29.99 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 -0.09 1.83 -0.10 0.00 2.20 -0.18 -0.03 119.74 123.37 2aff s LYS 50 Ca 0.02 -0.49 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 2aff s LYS 50 Cb -0.04 -1.50 -0.02 0.00 -1.51 0.00 0.00 37.83 34.76 2aff s LYS 50 CO -0.00 0.08 -0.14 0.42 -0.36 0.00 0.00 175.35 175.34 2aff s ILE 51 N 0.53 2.97 -0.16 5.43 1.01 0.48 0.12 121.20 131.57 2aff s ILE 51 Ca -0.13 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.82 2aff s ILE 51 Cb -0.15 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.11 2aff s ILE 51 CO 0.04 0.55 -0.19 -1.61 0.00 0.00 0.00 174.94 173.73 2aff s GLU 52 N 0.04 3.08 -0.28 2.79 2.02 0.29 -1.87 118.70 124.76 2aff s GLU 52 Ca -0.05 -0.81 -0.08 0.00 0.02 0.00 0.00 54.97 54.05 2aff s GLU 52 Cb -0.15 -2.56 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 2aff s GLU 52 CO 0.04 -0.08 0.09 0.42 0.02 0.00 0.00 175.26 175.76 2aff s ILE 53 N 1.00 4.26 0.03 -1.63 1.01 -0.22 -0.98 121.20 124.67 2aff s ILE 53 Ca -0.02 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.27 2aff s ILE 53 Cb -0.15 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 2aff s ILE 53 CO -0.05 0.18 -0.14 -1.00 0.00 0.00 0.00 174.94 173.93 2aff s HIS 54 N 1.57 2.68 0.52 3.97 3.76 -0.01 -4.92 115.29 122.87 2aff s HIS 54 Ca 0.05 -0.18 0.45 0.00 -0.15 0.00 0.00 55.06 55.23 2aff s HIS 54 Cb -0.16 -1.51 1.66 0.00 1.11 0.00 0.00 32.58 33.68 2aff s HIS 54 CO 0.04 0.30 1.59 0.93 -0.85 0.00 0.00 174.74 176.75 2aff h GLU 55 N 4.46 0.01 0.11 1.40 5.08 -2.02 0.16 114.58 123.78 2aff h GLU 55 Ca -0.48 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 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 -0.06 0.37 -1.00 0.00 0.00 179.01 178.83 2aff h GLN 56 N 0.01 -0.15 0.00 2.33 4.15 -2.01 -3.49 115.11 115.95 2aff h GLN 56 Ca 0.91 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 60.34 2aff h GLN 56 Cb 3.45 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 31.17 2aff h GLN 56 CO -0.14 -0.10 0.00 -1.91 -1.93 0.00 0.00 178.83 174.75 2aff n GLU 57 N -2.49 0.03 -4.19 1.69 4.07 0.56 -5.15 120.64 115.15 2aff n GLU 57 Ca -0.02 -0.06 -0.34 0.00 -0.06 0.00 0.00 57.16 56.68 2aff n GLU 57 Cb 0.06 0.07 -0.13 0.00 -0.06 0.00 0.00 31.44 31.38 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 -1.16 2.97 -0.12 4.31 0.00 -1.26 -0.83 121.76 125.67 2aff s ALA 58 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2aff s ALA 58 Cb -0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 2aff s ALA 58 CO 0.00 -0.05 -0.18 0.42 0.00 0.00 0.00 175.76 175.95 2aff s ILE 59 N 0.83 2.63 -0.22 0.00 1.01 -0.15 0.11 121.20 125.39 2aff s ILE 59 Ca -0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 2aff s ILE 59 Cb -0.14 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 2aff s ILE 59 CO 0.02 0.54 0.13 -0.22 0.00 0.00 0.00 174.94 175.40 2aff s LEU 60 N 0.32 4.00 -0.10 2.97 2.96 -0.15 -0.55 118.68 128.13 2aff s LEU 60 Ca -0.14 0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 2aff s LEU 60 Cb -0.17 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 2aff s LEU 60 CO 0.07 0.09 -0.06 -1.00 -1.32 0.00 0.00 176.35 174.13 2aff s HIS 61 N 0.87 2.96 -0.49 5.38 3.76 0.33 -2.19 115.29 125.91 2aff s HIS 61 Ca 0.06 -0.10 -0.18 0.00 -0.15 0.00 0.00 55.06 54.70 2aff s HIS 61 Cb -0.13 -1.79 0.06 0.00 1.11 0.00 0.00 32.58 31.83 2aff s HIS 61 CO 0.03 0.21 0.53 1.21 -0.85 0.00 0.00 174.74 175.87 2aff s ASN 62 N -0.42 6.19 0.00 1.40 3.84 -1.26 -1.01 114.94 123.68 2aff s ASN 62 Ca 0.06 -1.06 0.23 0.00 0.21 0.00 0.00 52.86 52.30 2aff s ASN 62 Cb -0.12 -2.25 0.06 0.00 -0.55 0.00 0.00 41.25 38.39 2aff s ASN 62 CO 0.02 -0.79 1.11 0.49 -2.79 0.00 0.00 177.10 175.14 2aff n PHE 63 N 5.79 0.00 -2.40 0.43 3.01 -0.72 -4.82 117.46 118.75 2aff n PHE 63 Ca -0.09 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.97 2aff n PHE 63 Cb 0.45 -0.04 -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 -2.75 5.91 0.23 4.37 0.15 -0.05 -4.64 113.70 116.92 2aff s SER 64 Ca 0.14 -0.26 0.23 0.00 0.70 0.00 0.00 55.95 56.77 2aff s SER 64 Cb 0.17 -2.55 0.22 0.00 -1.71 0.00 0.00 66.02 62.15 2aff s SER 64 CO 0.70 -1.99 1.29 0.28 1.20 0.00 0.00 173.24 174.71 2aff h SER 65 N 11.43 0.00 0.10 5.45 0.02 -1.90 -3.20 113.55 125.44 2aff h SER 65 Ca -0.26 -0.06 -0.31 0.00 -0.84 0.00 0.00 61.79 60.32 2aff h SER 65 Cb 1.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 2aff h SER 65 CO 1.27 0.03 -1.66 0.74 -1.14 0.00 0.00 176.83 176.06 2aff h THR 66 N 0.00 0.81 -2.81 -2.27 2.02 -1.99 -3.44 112.91 105.23 2aff h THR 66 Ca 0.00 -2.32 -0.59 0.00 0.77 0.00 0.00 66.41 64.27 2aff h THR 66 Cb 0.91 2.50 -0.40 0.00 -1.74 0.00 0.00 68.15 69.42 2aff h THR 66 CO 0.00 0.71 -0.79 0.20 0.37 0.00 0.00 175.52 176.01 2aff s ASN 67 N -7.01 3.37 0.50 4.18 0.01 -1.26 -5.13 114.94 109.60 2aff s ASN 67 Ca -0.23 -2.23 -0.22 0.00 -0.71 0.00 0.00 52.86 49.46 2aff s ASN 67 Cb 0.06 -0.68 -0.07 0.00 0.41 0.00 0.00 41.25 40.97 2aff s ASN 67 CO 0.73 -0.31 1.16 -2.65 -1.51 0.00 0.00 177.10 174.52 2aff n PRO 68 N 4.02 1.49 -2.71 -0.60 -0.02 -1.21 -4.67 135.00 131.30 2aff n PRO 68 Ca 0.08 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 2aff n PRO 68 Cb 0.37 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 31.49 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 -1.32 4.23 -0.09 3.45 2.01 -1.26 -4.90 115.64 117.77 2aff s THR 69 Ca 0.68 2.02 -0.05 0.00 0.31 0.00 0.00 61.69 64.65 2aff s THR 69 Cb -0.47 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 67.71 2aff s THR 69 CO 0.53 0.39 0.11 -1.10 -0.69 0.00 0.00 174.62 173.86 2aff s GLN 70 N -0.58 3.30 -0.03 4.92 -0.21 -0.41 -1.79 119.66 124.86 2aff s GLN 70 Ca 0.45 -0.25 0.02 0.00 0.02 0.00 0.00 55.36 55.59 2aff s GLN 70 Cb -0.25 -3.05 0.01 0.00 1.00 0.00 0.00 33.01 30.71 2aff s GLN 70 CO 0.32 0.74 -0.09 0.08 -2.12 0.00 0.00 175.29 174.22 2aff s VAL 71 N -1.05 0.78 -1.16 1.09 1.01 0.53 0.21 120.40 121.81 2aff s VAL 71 Ca 0.17 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 2aff s VAL 71 Cb -0.12 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.58 2aff s VAL 71 CO 0.07 0.25 0.26 0.59 0.00 0.00 0.00 175.10 176.27 2aff n ASN 72 N 3.45 -3.89 -0.60 3.32 3.02 -0.88 0.23 115.26 119.93 2aff n ASN 72 Ca -0.20 -0.09 -0.05 0.00 -0.03 0.00 0.00 54.58 54.21 2aff n ASN 72 Cb 0.53 -3.25 -0.00 0.00 -0.61 0.00 0.00 39.78 36.45 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 -1.01 0.18 3.22 7.41 0.00 -1.26 -5.04 105.19 108.68 2aff n GLY 73 Ca -0.08 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 2aff n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2aff s SER 74 N -2.77 -0.27 0.39 1.61 0.15 0.14 -5.11 113.70 107.84 2aff s SER 74 Ca 0.00 0.42 -0.26 0.00 0.70 0.00 0.00 55.95 56.81 2aff s SER 74 Cb 0.00 0.52 -0.09 0.00 -1.71 0.00 0.00 66.02 64.74 2aff s SER 74 CO 0.00 -0.24 1.21 -0.69 1.20 0.00 0.00 173.24 174.72 2aff s VAL 75 N -0.41 3.02 -0.77 4.45 1.01 -1.26 0.20 120.40 126.64 2aff s VAL 75 Ca -0.05 0.89 0.03 0.00 0.00 0.00 0.00 61.98 62.85 2aff s VAL 75 Cb -0.03 -3.52 0.28 0.00 0.00 0.00 0.00 36.38 33.11 2aff s VAL 75 CO 0.02 0.11 1.01 2.30 0.00 0.00 0.00 175.10 178.54 2aff n ILE 76 N 0.22 3.40 -0.02 2.22 -5.35 -0.74 -4.84 119.36 114.24 2aff n ILE 76 Ca 0.03 -5.49 0.23 0.00 -0.27 0.00 0.00 62.75 57.26 2aff n ILE 76 Cb 0.45 -1.99 0.72 0.00 -1.74 0.00 0.00 39.64 37.08 2aff n ILE 76 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2aff h ASP 77 N 4.37 0.00 -1.83 7.28 3.58 -1.94 -3.41 116.42 124.47 2aff h ASP 77 Ca 0.21 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 57.04 2aff h ASP 77 Cb 0.61 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 41.53 2aff h ASP 77 CO 0.98 0.00 -0.61 -1.61 -2.88 0.00 0.00 179.24 175.13 2aff s GLU 78 N -4.78 1.92 0.46 0.28 2.02 -1.26 -4.87 118.70 112.47 2aff s GLU 78 Ca -0.05 -2.08 -0.25 0.00 0.02 0.00 0.00 54.97 52.62 2aff s GLU 78 Cb 0.18 -1.58 -0.08 0.00 0.10 0.00 0.00 34.13 32.76 2aff s GLU 78 CO 0.64 -0.05 1.43 -2.14 0.02 0.00 0.00 175.26 175.17 2aff s PRO 79 N -3.72 3.61 -0.00 0.39 0.02 -1.26 -4.73 135.00 129.31 2aff s PRO 79 Ca 0.35 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.79 2aff s PRO 79 Cb 0.09 -2.61 0.00 0.00 0.02 0.00 0.00 34.50 32.00 2aff s PRO 79 CO 0.18 -0.88 -0.00 0.14 -0.33 0.00 0.00 177.00 176.11 2aff s VAL 80 N -1.21 0.04 0.09 3.83 -7.23 -0.93 -4.99 120.40 110.00 2aff s VAL 80 Ca 0.62 -0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 60.48 2aff s VAL 80 Cb -0.44 -0.05 -0.06 0.00 0.56 0.00 0.00 36.38 36.39 2aff s VAL 80 CO 0.56 0.02 1.13 -0.13 -0.31 0.00 0.00 175.10 176.37 2aff s ARG 81 N 0.06 4.50 0.24 4.82 0.52 -1.26 -0.97 118.95 126.86 2aff s ARG 81 Ca -0.00 1.70 -0.30 0.00 -0.52 0.00 0.00 55.73 56.60 2aff s ARG 81 Cb -0.01 -3.34 -0.09 0.00 0.52 0.00 0.00 34.95 32.03 2aff s ARG 81 CO -0.00 -0.12 0.95 -0.51 0.02 0.00 0.00 175.30 175.64 2aff s LEU 82 N 0.60 4.64 0.04 2.53 1.43 0.29 -4.92 118.68 123.29 2aff s LEU 82 Ca 0.55 1.97 0.06 0.00 -1.03 0.00 0.00 54.13 55.68 2aff s LEU 82 Cb -0.28 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.31 2aff s LEU 82 CO 0.31 0.12 -0.17 -0.75 0.23 0.00 0.00 176.35 176.10 2aff s LYS 83 N -1.16 1.13 -0.15 1.70 2.20 -1.26 -4.52 119.74 117.68 2aff s LYS 83 Ca 0.42 -0.81 -0.34 0.00 -0.36 0.00 0.00 55.97 54.88 2aff s LYS 83 Cb -0.26 -1.17 -0.11 0.00 -1.51 0.00 0.00 37.83 34.77 2aff s LYS 83 CO 0.33 0.30 1.95 1.58 -0.36 0.00 0.00 175.35 179.15 2aff n HIS 84 N 1.95 2.18 0.00 4.03 -0.00 -1.26 -0.35 115.22 121.77 2aff n HIS 84 Ca -0.17 0.05 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 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 4.84 1.77 3.73 1.57 0.00 -0.98 -4.97 105.19 111.15 2aff n GLY 85 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.80 7.18 -0.11 1.61 1.11 0.52 -4.82 116.67 120.36 2aff s ASP 86 Ca 0.00 2.07 -0.00 0.00 0.18 0.00 0.00 52.55 54.80 2aff s ASP 86 Cb 0.00 -2.59 -0.02 0.00 1.07 0.00 0.00 42.92 41.37 2aff s ASP 86 CO 0.00 -0.33 -0.10 -0.69 1.18 0.00 0.00 175.17 175.23 2aff s VAL 87 N 0.28 3.35 -0.13 -1.27 1.01 -1.26 -1.80 120.40 120.58 2aff s VAL 87 Ca 0.53 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 2aff s VAL 87 Cb -0.30 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2aff s VAL 87 CO 0.33 0.54 0.42 -0.63 0.00 0.00 0.00 175.10 175.77 2aff s ILE 88 N -0.06 5.22 -0.15 2.22 1.01 -0.17 -2.06 121.20 127.21 2aff s ILE 88 Ca -0.01 0.84 0.01 0.00 0.00 0.00 0.00 60.65 61.49 2aff s ILE 88 Cb -0.14 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.57 2aff s ILE 88 CO 0.03 0.34 -0.19 -0.89 0.00 0.00 0.00 174.94 174.24 2aff s THR 89 N 0.59 2.36 -0.17 2.92 2.01 0.58 0.11 115.64 124.03 2aff s THR 89 Ca 0.23 -0.88 -0.00 0.00 0.31 0.00 0.00 61.69 61.35 2aff s THR 89 Cb -0.14 -1.97 0.00 0.00 0.01 0.00 0.00 72.50 70.40 2aff s THR 89 CO 0.08 0.53 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.77 2aff s ILE 90 N 0.80 2.61 0.00 1.82 1.01 1.03 -1.29 121.20 127.19 2aff s ILE 90 Ca -0.06 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2aff s ILE 90 Cb -0.15 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.20 2aff s ILE 90 CO -0.01 0.51 0.00 -0.38 0.00 0.00 0.00 174.94 175.06 2aff n ILE 91 N 4.33 0.00 0.02 2.92 5.41 -1.26 0.35 119.36 131.14 2aff n ILE 91 Ca -0.19 0.00 0.08 0.00 1.00 0.00 0.00 62.75 63.64 2aff n ILE 91 Cb 0.51 0.00 0.18 0.00 -0.71 0.00 0.00 39.64 39.63 2aff n ILE 91 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2aff n ASP 92 N 2.09 3.12 -4.22 4.38 8.00 -1.26 -4.96 116.55 123.70 2aff n ASP 92 Ca 0.00 -1.91 -0.26 0.00 0.71 0.00 0.00 54.79 53.33 2aff n ASP 92 Cb 0.00 -0.25 -0.15 0.00 -0.02 0.00 0.00 41.12 40.70 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 -1.12 1.48 0.05 -1.24 0.52 1.10 -4.25 118.95 115.48 2aff s ARG 93 Ca 0.31 -0.80 -0.00 0.00 -0.52 0.00 0.00 55.73 54.72 2aff s ARG 93 Cb 0.17 -1.49 -0.03 0.00 0.52 0.00 0.00 34.95 34.11 2aff s ARG 93 CO 0.23 0.40 -0.03 -1.12 0.02 0.00 0.00 175.30 174.79 2aff s SER 94 N -0.78 0.50 -0.14 0.23 0.01 -1.26 0.34 113.70 112.61 2aff s SER 94 Ca 0.07 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.47 2aff s SER 94 Cb -0.08 0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.33 2aff s SER 94 CO 0.00 -0.50 -0.12 -0.36 0.41 0.00 0.00 173.24 172.66 2aff s PHE 95 N -3.23 1.96 -0.07 2.43 0.40 0.30 -1.33 117.98 118.44 2aff s PHE 95 Ca 0.01 -1.06 -0.29 0.00 -0.60 0.00 0.00 56.93 54.99 2aff s PHE 95 Cb 0.03 -1.48 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 2aff s PHE 95 CO -0.07 -0.61 0.98 0.50 0.70 0.00 0.00 175.22 176.72 2aff s ARG 96 N 1.51 4.47 -0.18 0.44 3.52 -0.77 -1.00 118.95 126.93 2aff s ARG 96 Ca 0.04 1.37 -0.18 0.00 -0.13 0.00 0.00 55.73 56.84 2aff s ARG 96 Cb -0.13 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 2aff s ARG 96 CO -0.09 -0.21 0.47 -0.47 -0.81 0.00 0.00 175.30 174.19 2aff s TYR 97 N 1.63 3.40 -0.11 5.12 5.04 -0.74 -2.01 117.35 129.68 2aff s TYR 97 Ca 0.49 0.75 0.03 0.00 -2.44 0.00 0.00 57.07 55.89 2aff s TYR 97 Cb -0.19 -2.60 0.01 0.00 0.35 0.00 0.00 41.96 39.53 2aff s TYR 97 CO 0.21 -0.02 -0.21 -1.21 -1.34 0.00 0.00 175.55 172.99 2aff s GLU 98 N 1.33 2.79 -0.37 4.97 2.02 -0.13 -2.31 118.70 127.00 2aff s GLU 98 Ca 0.23 -0.78 -0.13 0.00 0.02 0.00 0.00 54.97 54.31 2aff s GLU 98 Cb -0.15 -2.21 0.01 0.00 0.10 0.00 0.00 34.13 31.89 2aff s GLU 98 CO 0.09 0.06 0.24 1.21 0.02 0.00 0.00 175.26 176.88 2aff s ASN 99 N 0.65 5.91 0.00 -0.19 3.84 -1.26 -1.04 114.94 122.84 2aff s ASN 99 Ca -0.12 -0.80 0.00 0.00 0.21 0.00 0.00 52.86 52.15 2aff s ASN 99 Cb -0.16 -2.09 0.00 0.00 -0.55 0.00 0.00 41.25 38.44 2aff s ASN 99 CO 0.03 -0.36 0.00 1.21 -2.79 0.00 0.00 177.10 175.19