#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9m s GLN 2 N 0.00 3.28 -0.16 0.54 0.74 -1.26 -5.10 119.66 117.70 1a9m s GLN 2 Ca 0.00 -0.71 -0.04 0.00 0.05 0.00 0.00 55.36 54.66 1a9m s GLN 2 Cb 0.00 -2.71 -0.03 0.00 1.10 0.00 0.00 33.01 31.37 1a9m s GLN 2 CO 0.00 -0.00 -0.03 0.42 -0.55 0.00 0.00 175.29 175.13 1a9m s ILE 3 N 0.89 3.99 0.19 -2.34 1.01 -1.26 -5.11 121.20 118.56 1a9m s ILE 3 Ca -0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 1a9m s ILE 3 Cb -0.15 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 1a9m s ILE 3 CO -0.01 0.49 0.43 0.42 0.00 0.00 0.00 174.94 176.27 1a9m s THR 4 N 0.34 5.12 -2.16 2.92 -4.23 -1.26 -5.02 115.64 111.35 1a9m s THR 4 Ca -0.03 0.02 0.17 0.00 -1.18 0.00 0.00 61.69 60.66 1a9m s THR 4 Cb -0.14 -3.66 0.40 0.00 1.34 0.00 0.00 72.50 70.44 1a9m s THR 4 CO 0.03 -0.07 1.42 0.18 -0.54 0.00 0.00 174.62 175.63 1a9m n LEU 5 N -0.24 1.99 -0.18 4.79 7.99 -1.26 -4.32 117.00 125.77 1a9m n LEU 5 Ca -0.02 -0.92 0.15 0.00 -0.01 0.00 0.00 56.01 55.20 1a9m n LEU 5 Cb 0.52 -0.19 0.48 0.00 -0.11 0.00 0.00 43.42 44.12 1a9m n LEU 5 CO 0.48 0.46 1.21 -0.50 -1.51 0.00 0.00 177.39 177.53 1a9m h TRP 6 N 2.40 0.55 -2.14 -1.77 4.06 -2.06 -3.42 115.95 113.57 1a9m h TRP 6 Ca 0.00 0.02 -0.56 0.00 2.06 0.00 0.00 58.89 60.41 1a9m h TRP 6 Cb 0.54 -0.17 -0.13 0.00 -1.00 0.00 0.00 29.16 28.39 1a9m h TRP 6 CO 0.19 0.21 -0.58 1.14 -3.56 0.00 0.00 178.44 175.84 1a9m s GLN 7 N -5.46 1.85 0.12 0.49 0.00 -1.26 -5.10 119.66 110.30 1a9m s GLN 7 Ca -0.08 -2.07 -0.31 0.00 -0.00 0.00 0.00 55.36 52.90 1a9m s GLN 7 Cb 0.21 -1.16 -0.10 0.00 0.00 0.00 0.00 33.01 31.96 1a9m s GLN 7 CO 0.77 -0.20 1.69 1.03 0.00 0.00 0.00 175.29 178.58 1a9m s ARG 8 N -3.81 4.18 -1.01 9.60 0.52 -1.26 -4.87 118.95 122.30 1a9m s ARG 8 Ca 0.31 2.43 -0.23 0.00 -0.52 0.00 0.00 55.73 57.72 1a9m s ARG 8 Cb 0.08 -3.44 -0.12 0.00 0.52 0.00 0.00 34.95 31.98 1a9m s ARG 8 CO 0.15 -0.73 1.92 -0.35 0.02 0.00 0.00 175.30 176.30 1a9m n PRO 9 N 5.08 1.54 -3.23 3.54 -0.04 -1.26 -4.93 135.00 135.71 1a9m n PRO 9 Ca 0.16 -2.21 -0.39 0.00 -0.04 0.00 0.00 63.50 61.02 1a9m n PRO 9 Cb 0.39 -3.40 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 1a9m n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1a9m s LEU 10 N 7.05 4.51 0.19 1.53 1.43 -1.26 -1.31 118.68 130.81 1a9m s LEU 10 Ca 0.64 1.27 0.02 0.00 -1.03 0.00 0.00 54.13 55.03 1a9m s LEU 10 Cb 0.05 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 1a9m s LEU 10 CO 0.13 0.23 0.02 0.54 0.23 0.00 0.00 176.35 177.50 1a9m s VAL 11 N -0.89 0.68 -0.15 -1.59 0.11 0.04 -4.96 120.40 113.64 1a9m s VAL 11 Ca 0.30 -1.99 -0.04 0.00 -2.93 0.00 0.00 61.98 57.32 1a9m s VAL 11 Cb -0.19 -2.21 -0.03 0.00 -1.53 0.00 0.00 36.38 32.42 1a9m s VAL 11 CO 0.19 -0.40 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.65 1a9m s THR 12 N -3.66 3.98 0.23 5.04 2.01 -1.26 -0.90 115.64 121.09 1a9m s THR 12 Ca 0.26 -0.33 0.11 0.00 0.31 0.00 0.00 61.69 62.04 1a9m s THR 12 Cb 0.06 -2.74 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 1a9m s THR 12 CO 0.06 0.50 -0.20 0.27 -0.69 0.00 0.00 174.62 174.55 1a9m s ILE 13 N 0.27 2.29 -0.17 1.82 -4.36 0.36 -3.56 121.20 117.86 1a9m s ILE 13 Ca -0.02 -2.23 0.01 0.00 -0.26 0.00 0.00 60.65 58.15 1a9m s ILE 13 Cb -0.14 -2.17 0.02 0.00 1.25 0.00 0.00 42.46 41.42 1a9m s ILE 13 CO 0.03 -0.33 -0.18 -0.75 0.24 0.00 0.00 174.94 173.94 1a9m s LYS 14 N -3.21 2.76 -0.03 0.37 2.20 -0.29 -0.23 119.74 121.32 1a9m s LYS 14 Ca 0.25 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 55.12 1a9m s LYS 14 Cb -0.05 -2.40 0.02 0.00 -1.51 0.00 0.00 37.83 33.89 1a9m s LYS 14 CO 0.12 -0.20 -0.02 -1.50 -0.36 0.00 0.00 175.35 173.39 1a9m s ILE 15 N 1.30 0.29 -1.65 5.43 1.10 -0.16 -0.88 121.20 126.63 1a9m s ILE 15 Ca 0.04 0.01 -0.01 0.00 -0.51 0.00 0.00 60.65 60.18 1a9m s ILE 15 Cb -0.13 -0.35 0.00 0.00 0.15 0.00 0.00 42.46 42.13 1a9m s ILE 15 CO -0.11 0.16 0.07 0.61 -2.11 0.00 0.00 174.94 173.56 1a9m n GLY 16 N 4.01 -0.50 2.77 1.50 0.00 -1.26 -0.85 105.19 110.85 1a9m n GLY 16 Ca -0.26 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1a9m n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9m n GLY 17 N -1.04 1.99 3.88 -0.02 0.00 -1.26 -5.01 105.19 103.73 1a9m n GLY 17 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1a9m n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a9m s GLN 18 N -0.08 3.37 -0.23 1.61 -0.21 -0.03 -5.09 119.66 118.99 1a9m s GLN 18 Ca 0.00 -0.32 -0.11 0.00 0.02 0.00 0.00 55.36 54.95 1a9m s GLN 18 Cb 0.00 -3.07 -0.05 0.00 1.00 0.00 0.00 33.01 30.89 1a9m s GLN 18 CO 0.00 0.69 0.17 -0.51 -2.12 0.00 0.00 175.29 173.52 1a9m s LEU 19 N -1.74 4.12 0.37 2.90 1.02 -1.26 -0.99 118.68 123.11 1a9m s LEU 19 Ca 0.24 0.15 0.04 0.00 0.02 0.00 0.00 54.13 54.58 1a9m s LEU 19 Cb -0.12 -2.13 -0.06 0.00 0.02 0.00 0.00 46.19 43.89 1a9m s LEU 19 CO 0.15 0.06 0.05 -0.54 0.02 0.00 0.00 176.35 176.10 1a9m s LYS 20 N 1.03 1.79 -0.06 1.70 -0.14 0.68 -4.97 119.74 119.77 1a9m s LYS 20 Ca 0.08 -2.02 0.06 0.00 -1.36 0.00 0.00 55.97 52.73 1a9m s LYS 20 Cb -0.13 -1.06 -0.01 0.00 -1.68 0.00 0.00 37.83 34.94 1a9m s LYS 20 CO 0.04 -0.20 -0.24 -1.21 -0.76 0.00 0.00 175.35 172.98 1a9m s GLU 21 N -3.83 2.56 0.03 1.68 2.02 -1.26 -0.48 118.70 119.41 1a9m s GLU 21 Ca 0.33 -0.89 -0.04 0.00 0.02 0.00 0.00 54.97 54.39 1a9m s GLU 21 Cb 0.08 -2.18 -0.01 0.00 0.10 0.00 0.00 34.13 32.11 1a9m s GLU 21 CO 0.15 0.39 0.07 0.00 0.02 0.00 0.00 175.26 175.89 1a9m s ALA 22 N -0.19 -0.04 -0.16 5.21 0.00 -0.08 -4.45 121.76 122.06 1a9m s ALA 22 Ca -0.03 -0.50 -0.21 0.00 0.00 0.00 0.00 51.96 51.22 1a9m s ALA 22 Cb -0.14 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1a9m s ALA 22 CO 0.03 -0.25 0.62 -1.17 0.00 0.00 0.00 175.76 174.99 1a9m s LEU 23 N -1.83 4.20 -0.55 0.00 0.20 -0.34 -0.78 118.68 119.59 1a9m s LEU 23 Ca -0.09 0.91 -0.28 0.00 0.69 0.00 0.00 54.13 55.36 1a9m s LEU 23 Cb -0.04 -2.91 0.02 0.00 -0.43 0.00 0.00 46.19 42.83 1a9m s LEU 23 CO -0.02 -0.20 1.27 -0.76 -0.29 0.00 0.00 176.35 176.35 1a9m s LEU 24 N 1.48 3.47 -0.33 -0.68 2.01 -0.43 -0.89 118.68 123.32 1a9m s LEU 24 Ca 0.30 0.27 -0.01 0.00 0.01 0.00 0.00 54.13 54.71 1a9m s LEU 24 Cb -0.16 -3.22 0.07 0.00 0.01 0.00 0.00 46.19 42.89 1a9m s LEU 24 CO 0.12 -1.51 0.05 -0.62 1.01 0.00 0.00 176.35 175.39 1a9m s ASP 25 N 3.41 4.93 0.00 2.29 -1.08 -0.83 -4.79 116.67 120.59 1a9m s ASP 25 Ca 0.48 -1.60 0.24 0.00 -0.52 0.00 0.00 52.55 51.16 1a9m s ASP 25 Cb -0.09 -1.72 1.15 0.00 -1.46 0.00 0.00 42.92 40.80 1a9m s ASP 25 CO 0.27 -0.34 1.80 0.35 0.52 0.00 0.00 175.17 177.77 1a9m n THR 26 N 4.55 0.27 1.05 1.71 -2.24 -1.26 -2.43 114.28 115.93 1a9m n THR 26 Ca -0.08 0.07 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 1a9m n THR 26 Cb 0.43 -0.66 0.20 0.00 -2.10 0.00 0.00 70.33 68.20 1a9m n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9m n GLY 27 N 0.89 -1.02 3.68 3.38 0.00 -1.26 -4.84 105.19 106.02 1a9m n GLY 27 Ca 0.09 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 1a9m n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9m s ALA 28 N -2.88 3.54 0.17 4.61 0.00 -1.02 -4.96 121.76 121.21 1a9m s ALA 28 Ca 0.13 -0.41 -0.11 0.00 0.00 0.00 0.00 51.96 51.57 1a9m s ALA 28 Cb 0.18 -2.66 0.05 0.00 0.00 0.00 0.00 23.12 20.69 1a9m s ALA 28 CO 0.69 -0.24 1.66 -0.44 0.00 0.00 0.00 175.76 177.43 1a9m h ASP 29 N 7.19 0.89 -4.69 0.00 5.19 -1.89 0.22 116.42 123.32 1a9m h ASP 29 Ca -0.37 -0.25 -0.54 0.00 -0.62 0.00 0.00 57.03 55.25 1a9m h ASP 29 Cb 1.16 -0.23 -0.11 0.00 0.18 0.00 0.00 39.33 40.33 1a9m h ASP 29 CO 0.74 0.91 -0.41 0.47 -3.12 0.00 0.00 179.24 177.83 1a9m n ASP 30 N -4.35 2.62 -4.36 6.45 8.00 -1.26 -2.29 116.55 121.35 1a9m n ASP 30 Ca 0.02 -2.90 -0.35 0.00 0.71 0.00 0.00 54.79 52.27 1a9m n ASP 30 Cb 0.26 0.48 -0.14 0.00 -0.02 0.00 0.00 41.12 41.70 1a9m n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1a9m s THR 31 N -2.66 3.59 -0.12 -3.53 2.01 -1.26 -2.58 115.64 111.09 1a9m s THR 31 Ca 0.05 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1a9m s THR 31 Cb 0.00 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.91 1a9m s THR 31 CO 0.04 0.42 -0.11 0.54 -0.69 0.00 0.00 174.62 174.82 1a9m s VAL 32 N 1.31 1.25 0.10 3.82 0.11 -0.73 -1.08 120.40 125.19 1a9m s VAL 32 Ca 0.04 -0.44 0.04 0.00 -2.93 0.00 0.00 61.98 58.68 1a9m s VAL 32 Cb -0.14 -1.22 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 1a9m s VAL 32 CO -0.01 0.40 0.09 -0.76 -3.33 0.00 0.00 175.10 171.49 1a9m s LEU 33 N 1.51 3.79 0.97 2.54 1.43 0.11 -0.16 118.68 128.88 1a9m s LEU 33 Ca 0.03 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 1a9m s LEU 33 Cb -0.13 -2.46 0.15 0.00 0.03 0.00 0.00 46.19 43.78 1a9m s LEU 33 CO -0.08 0.15 0.94 -1.84 0.23 0.00 0.00 176.35 175.75 1a9m n GLU 34 N 0.28 -0.77 -1.70 1.70 0.28 -1.26 -2.24 120.64 116.93 1a9m n GLU 34 Ca -0.09 -0.17 -0.54 0.00 -0.16 0.00 0.00 57.16 56.20 1a9m n GLU 34 Cb 0.52 -2.22 -0.06 0.00 1.43 0.00 0.00 31.44 31.11 1a9m n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1a9m n GLU 35 N -3.78 1.52 -3.78 3.44 4.07 -0.94 -4.55 120.64 116.63 1a9m n GLU 35 Ca 0.09 0.56 -0.10 0.00 -0.06 0.00 0.00 57.16 57.65 1a9m n GLU 35 Cb 0.53 -2.30 -0.06 0.00 -0.06 0.00 0.00 31.44 29.55 1a9m n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1a9m s MET 36 N 3.79 1.08 -0.42 5.31 0.23 -1.26 -5.04 119.30 122.99 1a9m s MET 36 Ca 0.97 -0.90 -0.23 0.00 -1.03 0.00 0.00 55.69 54.50 1a9m s MET 36 Cb -0.94 0.42 0.02 0.00 -1.53 0.00 0.00 34.83 32.81 1a9m s MET 36 CO 0.61 -0.40 0.79 -1.54 -2.03 0.00 0.00 175.02 172.44 1a9m s SER 37 N -2.86 6.47 -0.03 -1.18 1.04 -1.26 -5.02 113.70 110.86 1a9m s SER 37 Ca 0.07 0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.62 1a9m s SER 37 Cb 0.03 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.75 1a9m s SER 37 CO -0.08 -0.85 -0.11 -0.22 0.98 0.00 0.00 173.24 172.96 1a9m s LEU 38 N 3.23 1.85 0.34 2.42 2.96 -1.26 -5.08 118.68 123.14 1a9m s LEU 38 Ca 0.31 -0.23 -0.23 0.00 -0.22 0.00 0.00 54.13 53.76 1a9m s LEU 38 Cb -0.12 -0.66 -0.10 0.00 0.50 0.00 0.00 46.19 45.81 1a9m s LEU 38 CO 0.20 0.10 0.90 -2.16 -1.32 0.00 0.00 176.35 174.07 1a9m s PRO 39 N 0.09 4.39 0.00 0.98 0.04 -1.26 -4.97 135.00 134.28 1a9m s PRO 39 Ca -0.02 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1a9m s PRO 39 Cb -0.09 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1a9m s PRO 39 CO 0.01 0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.65 1a9m n GLY 40 N 0.15 0.88 4.00 0.56 0.00 -1.26 -5.10 105.19 104.43 1a9m n GLY 40 Ca 0.03 -2.12 -0.18 0.00 0.00 0.00 0.00 46.02 43.75 1a9m n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a9m s ARG 41 N -1.02 2.68 -0.14 1.61 0.52 -1.26 -5.13 118.95 116.20 1a9m s ARG 41 Ca 0.00 -1.15 -0.30 0.00 -0.52 0.00 0.00 55.73 53.75 1a9m s ARG 41 Cb 0.00 -2.67 0.13 0.00 0.52 0.00 0.00 34.95 32.93 1a9m s ARG 41 CO 0.00 -0.47 1.02 1.67 0.02 0.00 0.00 175.30 177.54 1a9m s TRP 42 N -2.51 -0.33 -0.02 -0.53 1.48 -1.26 -4.74 118.94 111.03 1a9m s TRP 42 Ca 0.57 0.49 0.05 0.00 -1.06 0.00 0.00 56.10 56.14 1a9m s TRP 42 Cb -0.10 0.47 -0.01 0.00 -1.16 0.00 0.00 33.47 32.68 1a9m s TRP 42 CO 0.35 -0.35 -0.17 -1.59 -4.06 0.00 0.00 176.95 171.14 1a9m s LYS 43 N -1.53 1.43 0.65 3.25 0.00 -1.08 -4.93 119.74 117.55 1a9m s LYS 43 Ca 0.01 -0.59 -0.16 0.00 0.00 0.00 0.00 55.97 55.23 1a9m s LYS 43 Cb -0.01 -1.35 -0.00 0.00 0.00 0.00 0.00 37.83 36.47 1a9m s LYS 43 CO -0.01 0.33 1.13 -2.14 0.00 0.00 0.00 175.35 174.66 1a9m s PRO 44 N -0.30 2.78 0.18 1.78 0.02 -1.26 -1.33 135.00 136.86 1a9m s PRO 44 Ca 0.04 1.47 -0.10 0.00 0.02 0.00 0.00 61.00 62.44 1a9m s PRO 44 Cb -0.07 -1.94 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 1a9m s PRO 44 CO -0.00 -1.28 0.32 0.21 -0.33 0.00 0.00 177.00 175.91 1a9m s LYS 45 N -3.96 1.23 0.02 5.54 2.20 -0.47 -4.85 119.74 119.45 1a9m s LYS 45 Ca 0.69 -1.19 0.03 0.00 -0.36 0.00 0.00 55.97 55.14 1a9m s LYS 45 Cb -0.22 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.48 1a9m s LYS 45 CO 0.40 -0.46 -0.10 1.41 -0.36 0.00 0.00 175.35 176.24 1a9m s MET 46 N -3.98 0.73 0.20 4.03 -2.45 -1.26 -0.71 119.30 115.86 1a9m s MET 46 Ca 0.18 -0.53 -0.04 0.00 -1.25 0.00 0.00 55.69 54.06 1a9m s MET 46 Cb 0.03 -0.69 -0.03 0.00 1.25 0.00 0.00 34.83 35.39 1a9m s MET 46 CO 0.02 0.17 0.19 0.96 1.05 0.00 0.00 175.02 177.41 1a9m s ILE 47 N -0.62 0.02 0.09 10.11 -4.36 -0.68 -4.98 121.20 120.77 1a9m s ILE 47 Ca 0.00 -1.85 -0.05 0.00 -0.26 0.00 0.00 60.65 58.49 1a9m s ILE 47 Cb -0.06 -2.35 -0.02 0.00 1.25 0.00 0.00 42.46 41.28 1a9m s ILE 47 CO 0.00 -0.08 0.11 -1.38 0.24 0.00 0.00 174.94 173.84 1a9m s HIS 48 N -4.11 0.36 0.00 1.37 -3.43 -1.26 -0.29 115.29 107.92 1a9m s HIS 48 Ca 0.33 -0.82 0.00 0.00 -0.80 0.00 0.00 55.06 53.77 1a9m s HIS 48 Cb 0.06 -0.20 0.00 0.00 -1.43 0.00 0.00 32.58 31.00 1a9m s HIS 48 CO 0.09 -0.50 0.00 0.41 -2.00 0.00 0.00 174.74 172.74 1a9m n GLY 49 N -0.02 4.98 0.34 -1.38 0.00 -0.27 -4.97 105.19 103.87 1a9m n GLY 49 Ca -0.13 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 44.73 1a9m n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a9m h ILE 50 N 0.00 1.25 -0.16 -0.61 2.04 -2.03 -2.97 117.51 115.02 1a9m h ILE 50 Ca 0.00 -0.66 -0.15 0.00 1.00 0.00 0.00 64.86 65.05 1a9m h ILE 50 Cb 0.00 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1a9m h ILE 50 CO 0.00 0.29 -0.53 1.23 0.00 0.00 0.00 178.15 179.14 1a9m h GLY 51 N 1.17 0.50 0.00 5.37 0.00 -2.02 -3.49 103.07 104.60 1a9m h GLY 51 Ca 0.29 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1a9m h GLY 51 CO -0.04 0.51 0.00 0.61 0.00 0.00 0.00 176.54 177.62 1a9m n GLY 52 N 0.17 0.25 3.80 4.60 0.00 -1.12 -5.12 105.19 107.77 1a9m n GLY 52 Ca -0.03 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 1a9m n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a9m s PHE 53 N -4.00 3.52 0.07 1.61 0.40 -1.26 -1.11 117.98 117.21 1a9m s PHE 53 Ca 0.00 0.50 0.07 0.00 -0.60 0.00 0.00 56.93 56.90 1a9m s PHE 53 Cb 0.00 -2.10 -0.03 0.00 0.51 0.00 0.00 43.02 41.40 1a9m s PHE 53 CO 0.00 0.50 -0.19 0.96 0.70 0.00 0.00 175.22 177.18 1a9m s ILE 54 N -0.31 1.55 -0.16 0.64 -4.36 0.60 -4.96 121.20 114.20 1a9m s ILE 54 Ca 0.13 -1.35 -0.19 0.00 -0.26 0.00 0.00 60.65 58.99 1a9m s ILE 54 Cb -0.12 -1.40 -0.04 0.00 1.25 0.00 0.00 42.46 42.15 1a9m s ILE 54 CO 0.02 0.00 0.51 -0.54 0.24 0.00 0.00 174.94 175.18 1a9m s LYS 55 N -1.58 4.26 0.14 0.37 -0.14 -1.26 -1.68 119.74 119.84 1a9m s LYS 55 Ca 0.05 0.45 0.07 0.00 -1.36 0.00 0.00 55.97 55.18 1a9m s LYS 55 Cb -0.09 -3.51 -0.04 0.00 -1.68 0.00 0.00 37.83 32.51 1a9m s LYS 55 CO 0.03 -0.02 -0.16 0.14 -0.76 0.00 0.00 175.35 174.58 1a9m s VAL 56 N 1.20 1.54 -0.44 3.17 -7.23 0.11 -4.62 120.40 114.14 1a9m s VAL 56 Ca 0.25 -1.80 -0.20 0.00 -1.81 0.00 0.00 61.98 58.43 1a9m s VAL 56 Cb -0.15 -1.66 0.03 0.00 0.56 0.00 0.00 36.38 35.15 1a9m s VAL 56 CO 0.10 -0.37 0.58 -0.13 -0.31 0.00 0.00 175.10 174.97 1a9m s ARG 57 N -2.71 3.21 0.05 4.82 0.52 0.46 -1.37 118.95 123.93 1a9m s ARG 57 Ca 0.12 -0.54 -0.29 0.00 -0.52 0.00 0.00 55.73 54.49 1a9m s ARG 57 Cb -0.05 -3.97 -0.04 0.00 0.52 0.00 0.00 34.95 31.40 1a9m s ARG 57 CO 0.04 -0.99 0.95 -1.14 0.02 0.00 0.00 175.30 174.19 1a9m s GLN 58 N 2.60 4.61 -0.06 3.54 0.74 -0.45 -1.57 119.66 129.08 1a9m s GLN 58 Ca 0.19 1.40 0.02 0.00 0.05 0.00 0.00 55.36 57.01 1a9m s GLN 58 Cb -0.15 -3.42 0.01 0.00 1.10 0.00 0.00 33.01 30.55 1a9m s GLN 58 CO 0.17 0.08 -0.12 0.71 -0.55 0.00 0.00 175.29 175.58 1a9m s TYR 59 N 0.52 1.39 0.30 1.67 1.51 0.17 -2.62 117.35 120.30 1a9m s TYR 59 Ca 0.49 -0.50 0.07 0.00 -1.01 0.00 0.00 57.07 56.12 1a9m s TYR 59 Cb -0.22 -1.03 -0.03 0.00 -0.11 0.00 0.00 41.96 40.57 1a9m s TYR 59 CO 0.28 -0.26 0.23 -0.51 -1.11 0.00 0.00 175.55 174.19 1a9m s ASP 60 N 0.65 5.31 -1.38 2.29 1.11 -1.26 0.17 116.67 123.56 1a9m s ASP 60 Ca -0.14 -0.42 -0.16 0.00 0.18 0.00 0.00 52.55 52.01 1a9m s ASP 60 Cb -0.15 -1.12 0.02 0.00 1.07 0.00 0.00 42.92 42.74 1a9m s ASP 60 CO 0.03 -0.22 0.35 0.00 1.18 0.00 0.00 175.17 176.52 1a9m n GLN 61 N -1.27 -0.81 -3.90 8.23 6.02 -1.13 -4.87 117.38 119.65 1a9m n GLN 61 Ca -0.04 0.12 -0.37 0.00 -0.01 0.00 0.00 57.00 56.69 1a9m n GLN 61 Cb 0.59 -3.20 -0.06 0.00 1.02 0.00 0.00 30.24 28.59 1a9m n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1a9m s ILE 62 N -3.95 5.42 -0.19 5.09 -1.09 0.36 -4.74 121.20 122.09 1a9m s ILE 62 Ca 0.23 0.18 -0.18 0.00 -2.23 0.00 0.00 60.65 58.65 1a9m s ILE 62 Cb -0.13 -3.37 -0.03 0.00 -1.58 0.00 0.00 42.46 37.35 1a9m s ILE 62 CO 0.98 0.60 0.48 -0.22 -1.23 0.00 0.00 174.94 175.55 1a9m s LEU 63 N -0.89 4.16 -0.01 2.97 2.96 -1.26 -1.06 118.68 125.56 1a9m s LEU 63 Ca 0.14 0.65 0.06 0.00 -0.22 0.00 0.00 54.13 54.76 1a9m s LEU 63 Cb -0.12 -2.66 -0.02 0.00 0.50 0.00 0.00 46.19 43.90 1a9m s LEU 63 CO 0.03 -0.13 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.11 1a9m s ILE 64 N 1.45 1.47 -0.29 6.68 -1.09 0.11 -4.49 121.20 125.04 1a9m s ILE 64 Ca 0.23 -0.84 -0.04 0.00 -2.23 0.00 0.00 60.65 57.77 1a9m s ILE 64 Cb -0.15 -1.23 0.03 0.00 -1.58 0.00 0.00 42.46 39.53 1a9m s ILE 64 CO 0.09 0.38 0.02 -1.61 -1.23 0.00 0.00 174.94 172.60 1a9m s GLU 65 N -0.53 2.73 -0.21 2.79 2.02 -0.06 0.18 118.70 125.63 1a9m s GLU 65 Ca 0.07 -1.07 -0.05 0.00 0.02 0.00 0.00 54.97 53.94 1a9m s GLU 65 Cb -0.07 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.91 1a9m s GLU 65 CO -0.00 -0.53 -0.01 0.42 0.02 0.00 0.00 175.26 175.16 1a9m s ILE 66 N 1.36 3.84 -0.92 -1.63 1.01 0.16 -1.14 121.20 123.88 1a9m s ILE 66 Ca -0.01 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.17 1a9m s ILE 66 Cb -0.18 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.56 1a9m s ILE 66 CO -0.00 0.42 0.23 0.00 0.00 0.00 0.00 174.94 175.59 1a9m n GLY 68 N -1.88 3.13 3.72 0.00 0.00 -1.26 -5.02 105.19 103.88 1a9m n GLY 68 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1a9m n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a9m s HIS 69 N -1.70 3.40 0.55 1.61 3.76 0.12 -5.08 115.29 117.94 1a9m s HIS 69 Ca 0.00 0.33 -0.15 0.00 -0.15 0.00 0.00 55.06 55.09 1a9m s HIS 69 Cb 0.00 -2.19 -0.06 0.00 1.11 0.00 0.00 32.58 31.43 1a9m s HIS 69 CO 0.00 0.24 1.00 0.15 -0.85 0.00 0.00 174.74 175.29 1a9m s LYS 70 N 0.50 3.79 -0.10 1.40 1.02 -1.26 -0.67 119.74 124.43 1a9m s LYS 70 Ca 0.09 0.93 -0.29 0.00 0.02 0.00 0.00 55.97 56.72 1a9m s LYS 70 Cb -0.12 -2.11 0.07 0.00 -0.52 0.00 0.00 37.83 35.15 1a9m s LYS 70 CO -0.00 -0.41 0.66 0.00 -0.92 0.00 0.00 175.35 174.68 1a9m s ALA 71 N -2.74 -1.70 -0.09 5.17 0.00 0.13 -4.88 121.76 117.64 1a9m s ALA 71 Ca 0.58 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1a9m s ALA 71 Cb -0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1a9m s ALA 71 CO 0.37 -0.35 -0.09 0.42 0.00 0.00 0.00 175.76 176.11 1a9m s ILE 72 N -0.85 3.49 0.00 0.00 -1.09 -1.26 0.07 121.20 121.56 1a9m s ILE 72 Ca -0.09 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 1a9m s ILE 72 Cb -0.01 -2.44 0.00 0.00 -1.58 0.00 0.00 42.46 38.42 1a9m s ILE 72 CO 0.08 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.96 1a9m n GLY 73 N 2.77 -0.68 3.77 6.18 0.00 -0.23 -4.88 105.19 112.12 1a9m n GLY 73 Ca -0.18 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 1a9m n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a9m s THR 74 N -2.00 4.24 -0.05 2.61 2.01 -1.26 -0.49 115.64 120.71 1a9m s THR 74 Ca 0.00 1.83 0.03 0.00 0.31 0.00 0.00 61.69 63.86 1a9m s THR 74 Cb 0.00 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.36 1a9m s THR 74 CO 0.00 0.40 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.50 1a9m s VAL 75 N -1.30 1.18 -0.15 3.82 1.01 0.13 -4.47 120.40 120.61 1a9m s VAL 75 Ca 0.42 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1a9m s VAL 75 Cb -0.23 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1a9m s VAL 75 CO 0.27 0.35 -0.02 -0.76 0.00 0.00 0.00 175.10 174.95 1a9m s LEU 76 N 0.32 3.34 -0.18 3.92 1.43 -0.24 -0.65 118.68 126.62 1a9m s LEU 76 Ca -0.08 -0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1a9m s LEU 76 Cb -0.13 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1a9m s LEU 76 CO 0.02 0.18 -0.07 -0.69 0.23 0.00 0.00 176.35 176.03 1a9m s VAL 77 N 0.28 3.38 0.00 -1.59 1.01 -0.61 0.10 120.40 122.98 1a9m s VAL 77 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1a9m s VAL 77 Cb -0.14 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1a9m s VAL 77 CO 0.02 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1a9m n GLY 78 N 4.21 1.23 1.85 4.51 0.00 -0.95 -0.40 105.19 115.65 1a9m n GLY 78 Ca -0.18 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 44.98 1a9m n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a9m n PRO 79 N 0.00 0.76 -2.77 1.61 -0.04 -1.26 -2.22 135.00 131.08 1a9m n PRO 79 Ca 0.00 -0.17 -0.40 0.00 -0.04 0.00 0.00 63.50 62.89 1a9m n PRO 79 Cb 0.00 -1.38 -0.06 0.00 -0.04 0.00 0.00 33.50 32.03 1a9m n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1a9m s THR 80 N 1.12 4.20 0.26 0.52 -1.32 -1.26 -4.95 115.64 114.20 1a9m s THR 80 Ca 0.11 2.05 -0.05 0.00 -1.21 0.00 0.00 61.69 62.60 1a9m s THR 80 Cb 0.05 -4.31 0.20 0.00 -1.51 0.00 0.00 72.50 66.94 1a9m s THR 80 CO 0.00 0.46 1.86 -0.65 -2.21 0.00 0.00 174.62 174.08 1a9m h PRO 81 N 4.51 1.12 -4.81 7.08 0.11 -1.97 -3.42 132.00 134.62 1a9m h PRO 81 Ca -0.45 -0.15 -0.30 0.00 0.11 0.00 0.00 66.00 65.21 1a9m h PRO 81 Cb 1.20 -0.21 -0.20 0.00 0.11 0.00 0.00 31.00 31.90 1a9m h PRO 81 CO 0.69 0.85 -0.74 0.08 -0.21 0.00 0.00 178.00 178.66 1a9m s VAL 82 N -5.68 0.75 0.19 3.15 1.01 -1.26 -5.03 120.40 113.53 1a9m s VAL 82 Ca -0.12 -1.32 -0.30 0.00 0.00 0.00 0.00 61.98 60.24 1a9m s VAL 82 Cb 0.17 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.50 1a9m s VAL 82 CO 0.82 -0.44 1.30 0.20 0.00 0.00 0.00 175.10 176.98 1a9m s ASN 83 N -1.93 6.91 -0.08 3.32 0.01 -1.26 -4.62 114.94 117.29 1a9m s ASN 83 Ca -0.03 2.38 0.04 0.00 -0.71 0.00 0.00 52.86 54.53 1a9m s ASN 83 Cb -0.07 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.98 1a9m s ASN 83 CO 0.00 -0.52 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.25 1a9m s ILE 84 N 0.13 1.66 -0.44 0.60 1.01 0.78 -1.20 121.20 123.74 1a9m s ILE 84 Ca 0.56 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 60.28 1a9m s ILE 84 Cb -0.36 -1.45 0.07 0.00 0.01 0.00 0.00 42.46 40.73 1a9m s ILE 84 CO 0.38 0.47 0.33 -0.63 0.00 0.00 0.00 174.94 175.49 1a9m s ILE 85 N 0.35 4.90 0.81 2.92 -1.09 -0.07 -1.78 121.20 127.24 1a9m s ILE 85 Ca -0.14 -1.11 -0.08 0.00 -2.23 0.00 0.00 60.65 57.09 1a9m s ILE 85 Cb -0.16 -3.91 0.14 0.00 -1.58 0.00 0.00 42.46 36.95 1a9m s ILE 85 CO 0.06 -0.51 1.12 -0.83 -1.23 0.00 0.00 174.94 173.55 1a9m s GLY 86 N 2.31 1.75 0.59 6.18 0.00 -1.06 -1.97 107.32 115.11 1a9m s GLY 86 Ca 0.04 -1.34 0.29 0.00 0.00 0.00 0.00 44.72 43.70 1a9m s GLY 86 CO 0.06 -0.74 1.97 3.21 0.00 0.00 0.00 173.10 177.60 1a9m h ARG 87 N -0.96 0.00 0.00 2.90 3.08 -0.59 -0.44 114.38 118.37 1a9m h ARG 87 Ca -0.41 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 1a9m h ARG 87 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 1a9m h ARG 87 CO 0.44 0.00 -0.07 -2.95 -1.07 0.00 0.00 179.97 176.32 1a9m h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.69 -2.29 115.58 117.58 1a9m h ASN 88 Ca 0.16 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 56.48 1a9m h ASN 88 Cb 0.91 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.15 1a9m h ASN 88 CO -0.00 0.07 -1.39 0.18 0.07 0.00 0.00 177.43 176.36 1a9m n LEU 89 N -3.70 0.00 -0.01 6.14 4.32 -0.30 -4.42 117.00 119.03 1a9m n LEU 89 Ca -0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.95 1a9m n LEU 89 Cb 0.17 0.07 0.26 0.00 -1.62 0.00 0.00 43.42 42.30 1a9m n LEU 89 CO 0.29 0.07 0.89 -0.07 -1.22 0.00 0.00 177.39 177.34 1a9m h LEU 90 N 0.00 0.53 -0.81 2.23 3.38 -1.13 -2.33 115.31 117.19 1a9m h LEU 90 Ca -0.07 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1a9m h LEU 90 Cb 0.76 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1a9m h LEU 90 CO 0.00 0.63 0.35 0.71 0.09 0.00 0.00 178.44 180.22 1a9m h THR 91 N 0.52 1.26 -0.50 0.22 1.35 -1.65 -1.36 112.91 112.75 1a9m h THR 91 Ca 0.11 -0.79 -0.03 0.00 -0.55 0.00 0.00 66.41 65.15 1a9m h THR 91 Cb 0.41 0.27 -0.02 0.00 -1.73 0.00 0.00 68.15 67.08 1a9m h THR 91 CO 0.02 0.33 0.21 1.56 -0.25 0.00 0.00 175.52 177.38 1a9m h GLN 92 N 1.16 0.72 -0.64 4.72 1.08 -1.63 -2.36 115.11 118.16 1a9m h GLN 92 Ca 0.27 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1a9m h GLN 92 Cb 0.18 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1a9m h GLN 92 CO -0.03 0.59 0.00 0.44 -0.95 0.00 0.00 178.83 178.88 1a9m n ILE 93 N -4.35 1.58 -2.35 2.54 -5.35 -1.15 -4.96 119.36 105.32 1a9m n ILE 93 Ca 0.04 -0.99 -0.13 0.00 -0.27 0.00 0.00 62.75 61.40 1a9m n ILE 93 Cb 0.15 0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 1a9m n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a9m n GLY 94 N 0.96 -0.14 3.73 3.28 0.00 -0.89 -5.02 105.19 107.11 1a9m n GLY 94 Ca 0.22 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1a9m n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9m s THR 96 N -0.21 1.23 -0.22 0.00 -4.23 -1.26 -4.73 115.64 106.22 1a9m s THR 96 Ca 0.47 -2.08 -0.07 0.00 -1.18 0.00 0.00 61.69 58.83 1a9m s THR 96 Cb -0.25 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 1a9m s THR 96 CO 0.31 -0.53 0.07 -0.22 -0.54 0.00 0.00 174.62 173.71 1a9m s LEU 97 N -3.26 3.60 -0.02 4.79 2.96 -1.26 -5.09 118.68 120.40 1a9m s LEU 97 Ca 0.23 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 1a9m s LEU 97 Cb 0.03 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 1a9m s LEU 97 CO 0.05 0.06 -0.15 0.20 -1.32 0.00 0.00 176.35 175.20 1a9m s ASN 98 N 1.03 1.78 0.00 3.68 0.01 -1.26 -5.30 114.94 114.89 1a9m s ASN 98 Ca 0.04 -0.28 0.00 0.00 -0.71 0.00 0.00 52.86 51.91 1a9m s ASN 98 Cb -0.14 -0.29 0.00 0.00 0.41 0.00 0.00 41.25 41.22 1a9m s ASN 98 CO 0.03 0.16 0.00 2.22 -1.51 0.00 0.00 177.10 178.00