#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba9 n THR 2 N 0.00 0.07 -3.94 0.00 -1.04 -1.26 -4.90 114.28 103.21 1ba9 n THR 2 Ca 0.00 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.05 61.90 1ba9 n THR 2 Cb 0.00 -1.19 -0.10 0.00 -1.82 0.00 0.00 70.33 67.22 1ba9 n THR 2 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1ba9 s LYS 3 N 1.18 0.45 0.39 -2.82 -2.85 -1.26 -2.80 119.74 112.02 1ba9 s LYS 3 Ca 0.84 -0.62 0.08 0.00 -1.00 0.00 0.00 55.97 55.27 1ba9 s LYS 3 Cb -0.85 0.17 -0.03 0.00 -2.06 0.00 0.00 37.83 35.07 1ba9 s LYS 3 CO 0.46 -0.10 0.28 0.00 0.10 0.00 0.00 175.35 176.09 1ba9 s ALA 4 N -1.88 3.83 -0.01 0.59 0.00 0.51 -0.78 121.76 124.01 1ba9 s ALA 4 Ca -0.11 -1.88 -0.06 0.00 0.00 0.00 0.00 51.96 49.90 1ba9 s ALA 4 Cb -0.06 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.20 1ba9 s ALA 4 CO -0.02 -0.13 0.12 0.54 0.00 0.00 0.00 175.76 176.28 1ba9 s VAL 5 N -2.46 0.06 -0.17 0.00 0.11 0.69 -0.51 120.40 118.13 1ba9 s VAL 5 Ca 0.44 -0.53 -0.04 0.00 -2.93 0.00 0.00 61.98 58.92 1ba9 s VAL 5 Cb -0.02 -0.35 0.06 0.00 -1.53 0.00 0.00 36.38 34.53 1ba9 s VAL 5 CO 0.26 -0.29 0.06 0.00 -3.33 0.00 0.00 175.10 171.79 1ba9 s ALA 6 N -1.00 0.68 -1.03 1.54 0.00 -0.33 -0.87 121.76 120.75 1ba9 s ALA 6 Ca -0.11 -0.43 -0.21 0.00 0.00 0.00 0.00 51.96 51.21 1ba9 s ALA 6 Cb -0.06 -1.05 0.08 0.00 0.00 0.00 0.00 23.12 22.09 1ba9 s ALA 6 CO 0.01 -1.09 1.38 0.14 0.00 0.00 0.00 175.76 176.20 1ba9 s VAL 7 N 2.01 4.23 0.29 0.00 -7.23 -1.26 -0.70 120.40 117.74 1ba9 s VAL 7 Ca 0.01 -1.19 -0.30 0.00 -1.81 0.00 0.00 61.98 58.69 1ba9 s VAL 7 Cb -0.16 -4.98 -0.13 0.00 0.56 0.00 0.00 36.38 31.67 1ba9 s VAL 7 CO -0.08 -1.80 1.31 0.18 -0.31 0.00 0.00 175.10 174.40 1ba9 n LEU 8 N 8.00 3.11 -3.79 1.32 4.32 0.12 -4.58 117.00 125.50 1ba9 n LEU 8 Ca 0.32 1.17 -0.13 0.00 -0.02 0.00 0.00 56.01 57.36 1ba9 n LEU 8 Cb 0.50 -1.43 -0.12 0.00 -1.62 0.00 0.00 43.42 40.75 1ba9 n LEU 8 CO 0.62 -0.60 -0.10 -0.75 -1.22 0.00 0.00 177.39 175.33 1ba9 s LYS 9 N -1.13 0.27 0.09 3.23 2.36 -0.38 -0.92 119.74 123.26 1ba9 s LYS 9 Ca 0.62 0.35 0.00 0.00 -2.55 0.00 0.00 55.97 54.39 1ba9 s LYS 9 Cb -0.63 0.12 -0.00 0.00 -1.05 0.00 0.00 37.83 36.27 1ba9 s LYS 9 CO 0.56 -0.04 0.01 0.41 1.55 0.00 0.00 175.35 177.83 1ba9 n GLY 10 N 3.05 4.04 0.31 5.54 0.00 0.48 -1.44 105.19 117.18 1ba9 n GLY 10 Ca -0.14 -2.15 0.06 0.00 0.00 0.00 0.00 46.02 43.79 1ba9 n GLY 10 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ba9 h ASP 11 N 0.24 0.61 0.00 1.61 1.82 -1.86 -3.44 116.42 115.40 1ba9 h ASP 11 Ca -0.07 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ba9 h ASP 11 Cb 0.23 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.20 1ba9 h ASP 11 CO 0.11 0.29 0.00 0.61 -1.61 0.00 0.00 179.24 178.65 1ba9 n GLY 12 N -1.32 2.16 0.00 -0.78 0.00 -1.26 -4.96 105.19 99.03 1ba9 n GLY 12 Ca 0.16 -1.77 0.14 0.00 0.00 0.00 0.00 46.02 44.55 1ba9 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ba9 n PRO 13 N 0.00 0.08 -1.43 1.61 -0.04 -1.26 -4.82 135.00 129.14 1ba9 n PRO 13 Ca 0.00 -0.01 -0.47 0.00 -0.04 0.00 0.00 63.50 62.98 1ba9 n PRO 13 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 1ba9 n PRO 13 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ba9 n VAL 14 N -1.45 0.01 -3.97 0.52 0.31 -1.26 -4.59 118.33 107.90 1ba9 n VAL 14 Ca 0.08 -0.11 -0.09 0.00 -0.01 0.00 0.00 64.34 64.21 1ba9 n VAL 14 Cb 0.32 -0.85 -0.11 0.00 -0.91 0.00 0.00 33.84 32.29 1ba9 n VAL 14 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1ba9 s GLN 15 N 7.79 0.29 -0.16 5.55 0.74 -1.20 -0.38 119.66 132.29 1ba9 s GLN 15 Ca 1.25 -0.57 -0.07 0.00 0.05 0.00 0.00 55.36 56.02 1ba9 s GLN 15 Cb -1.17 0.10 0.07 0.00 1.10 0.00 0.00 33.01 33.10 1ba9 s GLN 15 CO 0.51 -0.05 0.36 0.20 -0.55 0.00 0.00 175.29 175.76 1ba9 s GLY 16 N -1.37 -0.27 -0.87 2.59 0.00 -0.10 0.01 107.32 107.32 1ba9 s GLY 16 Ca -0.15 1.33 -0.20 0.00 0.00 0.00 0.00 44.72 45.69 1ba9 s GLY 16 CO -0.01 1.84 1.12 -0.42 0.00 0.00 0.00 173.10 175.64 1ba9 s ILE 17 N 1.86 4.54 0.42 0.90 1.01 -1.16 0.10 121.20 128.87 1ba9 s ILE 17 Ca -0.06 -1.19 -0.24 0.00 0.00 0.00 0.00 60.65 59.17 1ba9 s ILE 17 Cb -0.10 -4.79 -0.08 0.00 0.01 0.00 0.00 42.46 37.49 1ba9 s ILE 17 CO -0.11 -1.54 1.10 -0.63 0.00 0.00 0.00 174.94 173.75 1ba9 s ILE 18 N 3.28 3.47 -0.03 2.92 -1.09 0.12 -3.14 121.20 126.73 1ba9 s ILE 18 Ca 0.32 1.13 0.03 0.00 -2.23 0.00 0.00 60.65 59.89 1ba9 s ILE 18 Cb -0.07 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 1ba9 s ILE 18 CO -0.05 0.01 -0.10 0.20 -1.23 0.00 0.00 174.94 173.77 1ba9 s ASN 19 N -1.46 1.38 -0.18 3.58 -0.87 0.36 -1.18 114.94 116.57 1ba9 s ASN 19 Ca 0.59 -0.22 -0.01 0.00 -1.57 0.00 0.00 52.86 51.66 1ba9 s ASN 19 Cb -0.25 -0.38 0.00 0.00 -0.02 0.00 0.00 41.25 40.61 1ba9 s ASN 19 CO 0.31 0.08 -0.14 -0.36 -2.57 0.00 0.00 177.10 174.42 1ba9 s PHE 20 N 0.18 2.83 -0.12 2.20 0.40 0.34 -0.34 117.98 123.47 1ba9 s PHE 20 Ca -0.03 -1.25 -0.03 0.00 -0.60 0.00 0.00 56.93 55.02 1ba9 s PHE 20 Cb -0.09 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 1ba9 s PHE 20 CO 0.01 -0.63 -0.02 -1.21 0.70 0.00 0.00 175.22 174.07 1ba9 s GLU 21 N 1.19 3.33 -0.48 0.44 2.02 -0.20 -0.36 118.70 124.64 1ba9 s GLU 21 Ca 0.02 -0.46 0.06 0.00 0.02 0.00 0.00 54.97 54.61 1ba9 s GLU 21 Cb -0.14 -2.86 0.20 0.00 0.10 0.00 0.00 34.13 31.43 1ba9 s GLU 21 CO -0.06 0.47 0.66 0.94 0.02 0.00 0.00 175.26 177.29 1ba9 n GLN 22 N 2.84 0.52 -0.35 1.61 7.27 -1.12 -0.81 117.38 127.34 1ba9 n GLN 22 Ca -0.18 -2.33 0.02 0.00 0.07 0.00 0.00 57.00 54.58 1ba9 n GLN 22 Cb 0.53 -1.49 0.16 0.00 2.41 0.00 0.00 30.24 31.85 1ba9 n GLN 22 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1ba9 h LYS 23 N 4.87 1.08 -5.85 3.69 3.64 -1.90 -3.41 116.57 118.69 1ba9 h LYS 23 Ca 0.07 -0.07 -0.62 0.00 -1.27 0.00 0.00 60.65 58.76 1ba9 h LYS 23 Cb 1.03 -0.24 -0.12 0.00 -0.41 0.00 0.00 32.23 32.49 1ba9 h LYS 23 CO 0.19 0.72 0.40 -1.21 -2.27 0.00 0.00 179.45 177.28 1ba9 s GLU 24 N -6.05 3.53 0.28 1.90 2.02 -1.26 -4.81 118.70 114.31 1ba9 s GLU 24 Ca -0.13 0.07 -0.03 0.00 0.02 0.00 0.00 54.97 54.90 1ba9 s GLU 24 Cb 0.19 -3.90 0.59 0.00 0.10 0.00 0.00 34.13 31.12 1ba9 s GLU 24 CO 0.81 -1.06 1.59 0.77 0.02 0.00 0.00 175.26 177.39 1ba9 h SER 25 N 8.85 -0.53 -1.24 -0.19 0.02 -2.01 0.11 113.55 118.56 1ba9 h SER 25 Ca -0.25 0.26 -0.59 0.00 -0.84 0.00 0.00 61.79 60.38 1ba9 h SER 25 Cb 1.09 0.47 -0.41 0.00 0.14 0.00 0.00 62.40 63.68 1ba9 h SER 25 CO 0.96 -0.29 -0.64 0.59 -1.14 0.00 0.00 176.83 176.30 1ba9 n ASN 26 N -5.47 5.00 -4.76 3.07 3.02 -1.26 -4.96 115.26 109.91 1ba9 n ASN 26 Ca 0.19 -3.74 -0.31 0.00 -0.03 0.00 0.00 54.58 50.69 1ba9 n ASN 26 Cb 0.62 -0.46 -0.07 0.00 -0.61 0.00 0.00 39.78 39.26 1ba9 n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ba9 s GLY 27 N -3.41 2.82 0.08 7.41 0.00 0.40 -5.10 107.32 109.52 1ba9 s GLY 27 Ca 0.50 -0.90 -0.31 0.00 0.00 0.00 0.00 44.72 44.01 1ba9 s GLY 27 CO -0.11 -2.13 1.50 2.56 0.00 0.00 0.00 173.10 174.92 1ba9 s PRO 28 N -3.91 4.26 0.08 2.90 0.04 -1.26 -4.88 135.00 132.23 1ba9 s PRO 28 Ca 0.16 2.17 -0.30 0.00 0.04 0.00 0.00 61.00 63.07 1ba9 s PRO 28 Cb 0.03 -3.43 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 1ba9 s PRO 28 CO 0.09 -0.59 1.11 0.54 0.04 0.00 0.00 177.00 178.19 1ba9 s VAL 29 N 1.94 4.22 -0.35 -0.36 0.11 0.58 -4.74 120.40 121.80 1ba9 s VAL 29 Ca 0.68 1.67 -0.15 0.00 -2.93 0.00 0.00 61.98 61.25 1ba9 s VAL 29 Cb -0.37 -4.07 -0.01 0.00 -1.53 0.00 0.00 36.38 30.40 1ba9 s VAL 29 CO 0.30 0.17 0.33 -0.54 -3.33 0.00 0.00 175.10 172.03 1ba9 s LYS 30 N 0.67 3.51 -0.46 1.54 1.02 0.01 -1.10 119.74 124.94 1ba9 s LYS 30 Ca 0.54 -0.51 -0.21 0.00 0.02 0.00 0.00 55.97 55.81 1ba9 s LYS 30 Cb -0.27 -3.82 0.03 0.00 -0.52 0.00 0.00 37.83 33.26 1ba9 s LYS 30 CO 0.30 -0.52 0.70 0.08 -0.92 0.00 0.00 175.35 174.99 1ba9 s VAL 31 N 1.93 4.75 0.23 3.17 1.01 0.12 -1.04 120.40 130.57 1ba9 s VAL 31 Ca 0.10 0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.26 1ba9 s VAL 31 Cb -0.17 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1ba9 s VAL 31 CO 0.11 -0.71 0.02 0.26 0.00 0.00 0.00 175.10 174.78 1ba9 s TRP 32 N 3.01 2.80 0.13 5.22 0.51 0.54 -0.70 118.94 130.45 1ba9 s TRP 32 Ca 0.24 -0.18 -0.24 0.00 -2.12 0.00 0.00 56.10 53.79 1ba9 s TRP 32 Cb -0.14 -1.28 0.08 0.00 -0.81 0.00 0.00 33.47 31.31 1ba9 s TRP 32 CO 0.19 0.57 1.08 0.20 -0.51 0.00 0.00 176.95 178.48 1ba9 s GLY 33 N -3.44 -0.01 -0.32 0.98 0.00 -0.30 -0.49 107.32 103.75 1ba9 s GLY 33 Ca 0.30 -0.13 0.06 0.00 0.00 0.00 0.00 44.72 44.95 1ba9 s GLY 33 CO 0.20 2.36 0.59 -0.56 0.00 0.00 0.00 173.10 175.69 1ba9 s SER 34 N -3.36 -1.51 0.85 1.64 0.01 -1.19 -0.52 113.70 109.63 1ba9 s SER 34 Ca 0.21 -0.12 -0.12 0.00 1.31 0.00 0.00 55.95 57.24 1ba9 s SER 34 Cb -0.01 1.97 0.10 0.00 0.21 0.00 0.00 66.02 68.29 1ba9 s SER 34 CO 0.03 -0.27 1.10 -0.51 0.41 0.00 0.00 173.24 174.00 1ba9 s ILE 35 N 2.54 2.82 -0.41 1.44 2.07 -0.27 -2.96 121.20 126.42 1ba9 s ILE 35 Ca 0.12 0.27 0.06 0.00 -1.41 0.00 0.00 60.65 59.68 1ba9 s ILE 35 Cb -0.08 -2.87 0.17 0.00 0.13 0.00 0.00 42.46 39.81 1ba9 s ILE 35 CO -0.21 -0.35 0.55 -0.75 -1.91 0.00 0.00 174.94 172.27 1ba9 s LYS 36 N -5.04 0.80 0.00 3.50 2.20 0.10 -3.76 119.74 117.55 1ba9 s LYS 36 Ca 0.62 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 1ba9 s LYS 36 Cb -0.16 -0.27 0.00 0.00 -1.51 0.00 0.00 37.83 35.89 1ba9 s LYS 36 CO 0.56 -1.22 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 1ba9 n GLY 37 N 4.07 0.02 3.15 5.54 0.00 -0.13 -3.27 105.19 114.58 1ba9 n GLY 37 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1ba9 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ba9 n LEU 38 N 0.00 0.00 -4.87 0.99 7.99 -0.84 -4.45 117.00 115.82 1ba9 n LEU 38 Ca 0.00 -1.05 -0.26 0.00 -0.01 0.00 0.00 56.01 54.69 1ba9 n LEU 38 Cb 0.00 -0.90 -0.04 0.00 -0.11 0.00 0.00 43.42 42.36 1ba9 n LEU 38 CO 0.00 -2.04 -0.16 0.42 -1.51 0.00 0.00 177.39 174.10 1ba9 s THR 39 N -2.79 4.89 0.45 -5.08 -4.23 -1.26 -4.04 115.64 103.58 1ba9 s THR 39 Ca 0.64 -0.89 -0.22 0.00 -1.18 0.00 0.00 61.69 60.04 1ba9 s THR 39 Cb -0.06 -3.51 -0.11 0.00 1.34 0.00 0.00 72.50 70.16 1ba9 s THR 39 CO 0.49 -0.10 0.78 -1.84 -0.54 0.00 0.00 174.62 173.41 1ba9 n GLU 40 N -0.44 0.91 0.00 3.99 0.00 -1.23 -4.59 120.64 119.28 1ba9 n GLU 40 Ca -0.08 0.33 0.00 0.00 0.00 0.00 0.00 57.16 57.42 1ba9 n GLU 40 Cb 0.54 -1.80 0.00 0.00 0.00 0.00 0.00 31.44 30.18 1ba9 n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ba9 n GLY 41 N 1.49 -1.40 3.76 -1.84 0.00 -0.54 -4.88 105.19 101.78 1ba9 n GLY 41 Ca 0.11 -2.18 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 1ba9 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ba9 s LEU 42 N 0.00 4.54 -0.08 0.99 1.02 -1.26 -0.50 118.68 123.39 1ba9 s LEU 42 Ca 0.00 1.87 0.00 0.00 0.02 0.00 0.00 54.13 56.02 1ba9 s LEU 42 Cb 0.00 -3.70 0.02 0.00 0.02 0.00 0.00 46.19 42.53 1ba9 s LEU 42 CO 0.00 0.09 -0.06 -1.00 0.02 0.00 0.00 176.35 175.40 1ba9 s HIS 43 N -1.32 1.10 -0.01 0.29 3.76 -1.13 -0.91 115.29 117.06 1ba9 s HIS 43 Ca 0.43 -0.43 -0.30 0.00 -0.15 0.00 0.00 55.06 54.61 1ba9 s HIS 43 Cb -0.23 -0.95 -0.05 0.00 1.11 0.00 0.00 32.58 32.46 1ba9 s HIS 43 CO 0.29 -0.34 1.28 0.20 -0.85 0.00 0.00 174.74 175.31 1ba9 s GLY 44 N 1.36 2.06 -0.19 -2.22 0.00 0.13 -0.43 107.32 108.02 1ba9 s GLY 44 Ca -0.03 0.76 -0.00 0.00 0.00 0.00 0.00 44.72 45.45 1ba9 s GLY 44 CO -0.03 2.29 -0.16 -1.36 0.00 0.00 0.00 173.10 173.84 1ba9 s PHE 45 N 2.06 2.82 0.04 1.90 0.40 0.32 -2.71 117.98 122.82 1ba9 s PHE 45 Ca 0.59 -1.45 -0.18 0.00 -0.60 0.00 0.00 56.93 55.30 1ba9 s PHE 45 Cb -0.28 -1.96 0.04 0.00 0.51 0.00 0.00 43.02 41.32 1ba9 s PHE 45 CO 0.25 -0.73 0.41 -1.01 0.70 0.00 0.00 175.22 174.84 1ba9 s HIS 46 N 1.31 -0.27 -0.40 0.36 3.76 -0.32 -2.11 115.29 117.62 1ba9 s HIS 46 Ca 0.05 0.23 -0.23 0.00 -0.15 0.00 0.00 55.06 54.96 1ba9 s HIS 46 Cb -0.13 0.22 0.01 0.00 1.11 0.00 0.00 32.58 33.79 1ba9 s HIS 46 CO -0.10 -0.57 0.75 0.54 -0.85 0.00 0.00 174.74 174.51 1ba9 s VAL 47 N -2.47 4.73 0.55 -0.90 0.11 -0.88 -0.79 120.40 120.76 1ba9 s VAL 47 Ca -0.05 0.64 -0.15 0.00 -2.93 0.00 0.00 61.98 59.49 1ba9 s VAL 47 Cb -0.01 -4.23 -0.06 0.00 -1.53 0.00 0.00 36.38 30.55 1ba9 s VAL 47 CO -0.02 -0.52 1.00 -1.00 -3.33 0.00 0.00 175.10 171.23 1ba9 s HIS 48 N 3.09 3.45 0.20 1.54 3.76 0.46 -1.55 115.29 126.24 1ba9 s HIS 48 Ca 0.29 1.43 -0.22 0.00 -0.15 0.00 0.00 55.06 56.41 1ba9 s HIS 48 Cb -0.13 -2.79 0.14 0.00 1.11 0.00 0.00 32.58 30.90 1ba9 s HIS 48 CO 0.19 -0.53 1.55 1.49 -0.85 0.00 0.00 174.74 176.59 1ba9 h GLU 49 N 0.53 -0.05 -4.27 1.40 4.81 -1.39 -3.29 114.58 112.32 1ba9 h GLU 49 Ca -0.46 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.47 1ba9 h GLU 49 Cb 1.19 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.49 1ba9 h GLU 49 CO 0.61 -0.03 -0.26 -1.21 -0.73 0.00 0.00 179.01 177.39 1ba9 s GLU 50 N -5.84 1.86 0.13 1.92 2.02 -1.26 -4.77 118.70 112.75 1ba9 s GLU 50 Ca -0.14 -1.79 -0.18 0.00 0.02 0.00 0.00 54.97 52.88 1ba9 s GLU 50 Cb 0.17 0.42 -0.03 0.00 0.10 0.00 0.00 34.13 34.79 1ba9 s GLU 50 CO 0.69 -0.75 1.76 1.49 0.02 0.00 0.00 175.26 178.46 1ba9 h GLU 51 N 2.13 0.41 -5.71 1.61 4.81 -1.84 -3.36 114.58 112.64 1ba9 h GLU 51 Ca -0.28 -0.04 -0.67 0.00 -0.13 0.00 0.00 59.36 58.25 1ba9 h GLU 51 Cb 1.24 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 1ba9 h GLU 51 CO 0.39 0.32 1.47 -3.47 -0.73 0.00 0.00 179.01 176.99 1ba9 n ASP 52 N -4.84 0.89 -3.28 1.04 -0.08 -1.26 -4.88 116.55 104.14 1ba9 n ASP 52 Ca -0.01 0.45 -0.24 0.00 -1.51 0.00 0.00 54.79 53.48 1ba9 n ASP 52 Cb 0.05 -0.99 -0.08 0.00 2.34 0.00 0.00 41.12 42.45 1ba9 n ASP 52 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1ba9 n ASN 53 N 9.01 -0.53 -0.31 1.67 4.05 -1.26 -4.08 115.26 123.80 1ba9 n ASN 53 Ca 0.55 -2.52 0.17 0.00 0.45 0.00 0.00 54.58 53.24 1ba9 n ASN 53 Cb 0.04 -0.38 0.43 0.00 1.23 0.00 0.00 39.78 41.10 1ba9 n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1ba9 h THR 54 N 3.83 0.65 0.00 -0.44 1.35 -1.99 0.95 112.91 117.25 1ba9 h THR 54 Ca 0.19 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ba9 h THR 54 Cb 0.92 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 1ba9 h THR 54 CO 0.38 0.10 0.00 0.00 -0.25 0.00 0.00 175.52 175.75 1ba9 h ALA 55 N 1.63 1.00 -0.97 6.62 0.00 -2.00 -3.46 119.26 122.08 1ba9 h ALA 55 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1ba9 h ALA 55 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ba9 h ALA 55 CO -0.30 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.36 1ba9 n GLY 56 N -1.09 0.56 3.17 0.00 0.00 0.33 -4.80 105.19 103.36 1ba9 n GLY 56 Ca -0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.37 1ba9 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba9 n THR 58 N 1.05 0.00 0.00 0.00 -1.04 -1.26 -4.95 114.28 108.08 1ba9 n THR 58 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1ba9 n THR 58 Cb 0.47 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 1ba9 n THR 58 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1ba9 n SER 59 N -2.65 0.00 0.00 8.00 2.88 -1.26 -4.91 113.62 115.68 1ba9 n SER 59 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ba9 n SER 59 Cb 0.00 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1ba9 n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ba9 n ALA 60 N -1.32 0.00 -1.89 -1.46 0.00 -1.26 -3.98 120.51 110.60 1ba9 n ALA 60 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1ba9 n ALA 60 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1ba9 n ALA 60 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ba9 s GLY 61 N 0.00 0.95 0.00 0.00 0.00 -1.26 -5.02 107.32 102.00 1ba9 s GLY 61 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1ba9 s GLY 61 CO 0.00 3.34 0.00 -1.55 0.00 0.00 0.00 173.10 174.89 1ba9 n PRO 62 N 8.14 -0.57 -1.67 2.90 -0.04 -1.26 -4.13 135.00 138.37 1ba9 n PRO 62 Ca 0.23 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 63.19 1ba9 n PRO 62 Cb 0.45 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.86 1ba9 n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ba9 n HIS 63 N -2.23 2.14 -1.84 0.54 8.25 -1.26 -1.41 115.22 119.41 1ba9 n HIS 63 Ca 0.00 0.27 -0.42 0.00 -0.26 0.00 0.00 57.72 57.31 1ba9 n HIS 63 Cb 0.00 -2.54 -0.03 0.00 1.12 0.00 0.00 29.99 28.54 1ba9 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ba9 s PHE 64 N 2.66 1.80 -0.34 4.41 5.36 -0.60 -4.76 117.98 126.51 1ba9 s PHE 64 Ca 0.89 -0.06 0.15 0.00 -0.96 0.00 0.00 56.93 56.96 1ba9 s PHE 64 Cb -0.81 -4.08 0.45 0.00 -0.34 0.00 0.00 43.02 38.25 1ba9 s PHE 64 CO 0.51 -4.61 1.00 0.27 -1.46 0.00 0.00 175.22 170.92 1ba9 n ASN 65 N 6.88 2.27 0.32 6.13 6.94 -1.26 -2.68 115.26 133.86 1ba9 n ASN 65 Ca 0.18 -2.93 0.21 0.00 -0.02 0.00 0.00 54.58 52.02 1ba9 n ASN 65 Cb 0.41 -0.51 1.04 0.00 -2.36 0.00 0.00 39.78 38.37 1ba9 n ASN 65 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1ba9 h PRO 66 N 2.87 0.00 0.00 -0.53 0.13 -1.91 0.17 132.00 132.72 1ba9 h PRO 66 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ba9 h PRO 66 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ba9 h PRO 66 CO 0.57 0.01 -0.10 -0.07 -0.23 0.00 0.00 178.00 178.18 1ba9 h LEU 67 N 0.00 0.00 -2.59 1.56 3.38 -1.92 -3.49 115.31 112.24 1ba9 h LEU 67 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ba9 h LEU 67 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ba9 h LEU 67 CO 0.00 0.01 -0.14 -1.20 0.09 0.00 0.00 178.44 177.20 1ba9 n SER 68 N -2.76 -5.55 -3.89 -0.43 7.64 0.59 -5.09 113.62 104.13 1ba9 n SER 68 Ca 0.04 0.13 -0.10 0.00 1.01 0.00 0.00 58.87 59.95 1ba9 n SER 68 Cb 0.50 -3.63 -0.09 0.00 -1.01 0.00 0.00 64.21 59.97 1ba9 n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ba9 s ARG 69 N -2.52 0.56 1.03 1.43 0.52 -1.26 -5.09 118.95 113.62 1ba9 s ARG 69 Ca 0.07 -0.57 -0.12 0.00 -0.52 0.00 0.00 55.73 54.58 1ba9 s ARG 69 Cb -0.02 0.23 0.21 0.00 0.52 0.00 0.00 34.95 35.89 1ba9 s ARG 69 CO 0.46 -0.14 1.08 0.15 0.02 0.00 0.00 175.30 176.86 1ba9 s LYS 70 N -2.06 0.14 0.58 3.54 1.02 -1.26 -3.85 119.74 117.85 1ba9 s LYS 70 Ca -0.09 0.63 -0.20 0.00 0.02 0.00 0.00 55.97 56.33 1ba9 s LYS 70 Cb -0.04 -1.69 -0.05 0.00 -0.52 0.00 0.00 37.83 35.53 1ba9 s LYS 70 CO -0.02 -2.96 1.12 1.58 -0.92 0.00 0.00 175.35 174.16 1ba9 n HIS 71 N -4.35 1.40 -1.79 3.18 -0.00 0.57 -1.16 115.22 113.07 1ba9 n HIS 71 Ca 0.05 0.44 0.00 0.00 -0.00 0.00 0.00 57.72 58.21 1ba9 n HIS 71 Cb 0.56 -2.22 0.00 0.00 -0.00 0.00 0.00 29.99 28.33 1ba9 n HIS 71 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ba9 n GLY 72 N 1.09 -1.53 3.93 1.57 0.00 -1.24 -3.82 105.19 105.19 1ba9 n GLY 72 Ca 0.13 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 1ba9 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ba9 s GLY 73 N 0.00 1.47 0.31 -0.02 0.00 -1.02 -4.32 107.32 103.74 1ba9 s GLY 73 Ca 0.00 -0.77 0.04 0.00 0.00 0.00 0.00 44.72 43.99 1ba9 s GLY 73 CO 0.00 -0.62 1.87 -0.56 0.00 0.00 0.00 173.10 173.78 1ba9 h PRO 74 N 0.39 0.88 -0.56 2.90 0.13 -1.87 -0.61 132.00 133.26 1ba9 h PRO 74 Ca -0.48 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1ba9 h PRO 74 Cb 1.22 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1ba9 h PRO 74 CO 0.61 0.58 0.00 1.63 -0.23 0.00 0.00 178.00 180.59 1ba9 n LYS 75 N -4.57 2.53 -3.78 0.86 5.02 -1.26 -4.94 118.16 112.03 1ba9 n LYS 75 Ca 0.17 -1.89 -0.20 0.00 -2.02 0.00 0.00 58.31 54.36 1ba9 n LYS 75 Cb 0.35 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 1ba9 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ba9 s ASP 76 N -0.89 5.78 0.22 4.39 1.01 -0.24 -5.02 116.67 121.92 1ba9 s ASP 76 Ca 0.35 -0.23 -0.05 0.00 0.71 0.00 0.00 52.55 53.32 1ba9 s ASP 76 Cb 0.20 -1.32 0.20 0.00 1.01 0.00 0.00 42.92 43.01 1ba9 s ASP 76 CO 0.20 -0.27 1.69 -0.33 0.21 0.00 0.00 175.17 176.67 1ba9 h GLU 77 N 1.15 0.92 -5.80 8.23 3.07 -1.92 -3.43 114.58 116.80 1ba9 h GLU 77 Ca -0.47 -0.28 -0.64 0.00 -0.50 0.00 0.00 59.36 57.47 1ba9 h GLU 77 Cb 1.25 -0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 29.01 1ba9 h GLU 77 CO 0.57 0.93 -0.48 -1.21 -1.40 0.00 0.00 179.01 177.42 1ba9 s GLU 78 N -4.96 3.45 0.00 2.33 2.02 -1.26 -5.05 118.70 115.23 1ba9 s GLU 78 Ca -0.10 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1ba9 s GLU 78 Cb 0.14 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.27 1ba9 s GLU 78 CO 0.84 0.68 0.00 2.89 0.02 0.00 0.00 175.26 179.69 1ba9 n ARG 79 N 1.04 0.00 0.00 1.61 1.85 -0.31 -2.44 116.66 118.41 1ba9 n ARG 79 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 1ba9 n ARG 79 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 1ba9 n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1ba9 n HIS 80 N -0.18 0.00 0.00 2.89 8.25 -1.13 -4.39 115.22 120.66 1ba9 n HIS 80 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ba9 n HIS 80 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ba9 n HIS 80 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ba9 n VAL 81 N 0.00 0.00 -1.27 1.59 0.31 -1.09 -4.46 118.33 113.41 1ba9 n VAL 81 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1ba9 n VAL 81 Cb 0.00 -0.39 -0.11 0.00 -0.91 0.00 0.00 33.84 32.43 1ba9 n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ba9 n GLY 82 N 2.39 3.74 3.23 2.92 0.00 -1.25 -4.74 105.19 111.48 1ba9 n GLY 82 Ca 0.00 -1.56 -0.44 0.00 0.00 0.00 0.00 46.02 44.03 1ba9 n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ba9 n ASP 83 N 1.81 5.37 -2.53 1.61 9.92 -1.26 -2.07 116.55 129.39 1ba9 n ASP 83 Ca 0.48 -3.07 -0.24 0.00 -0.53 0.00 0.00 54.79 51.43 1ba9 n ASP 83 Cb 0.70 -1.48 -0.09 0.00 -0.64 0.00 0.00 41.12 39.60 1ba9 n ASP 83 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ba9 n LEU 84 N 4.20 6.50 0.00 0.64 4.77 -0.89 -3.78 117.00 128.44 1ba9 n LEU 84 Ca 0.34 -3.84 0.00 0.00 -0.03 0.00 0.00 56.01 52.49 1ba9 n LEU 84 Cb 0.39 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1ba9 n LEU 84 CO 0.66 1.81 0.00 0.61 -1.33 0.00 0.00 177.39 179.15 1ba9 n GLY 85 N 2.08 0.74 3.42 -0.72 0.00 -1.26 -4.45 105.19 105.00 1ba9 n GLY 85 Ca 0.53 0.09 -0.21 0.00 0.00 0.00 0.00 46.02 46.43 1ba9 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ba9 s ASN 86 N -1.34 2.66 0.00 1.61 4.22 -1.26 -0.52 114.94 120.31 1ba9 s ASN 86 Ca 0.00 -1.20 0.00 0.00 -2.14 0.00 0.00 52.86 49.52 1ba9 s ASN 86 Cb 0.00 -0.15 0.00 0.00 1.28 0.00 0.00 41.25 42.38 1ba9 s ASN 86 CO 0.00 -0.36 0.00 1.33 -2.04 0.00 0.00 177.10 176.03 1ba9 n VAL 87 N -0.57 0.00 -3.53 3.54 0.24 0.43 -4.86 118.33 113.58 1ba9 n VAL 87 Ca -0.05 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.13 1ba9 n VAL 87 Cb 0.63 -0.85 -0.11 0.00 -1.47 0.00 0.00 33.84 32.04 1ba9 n VAL 87 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ba9 s THR 88 N 1.51 -0.51 0.21 3.34 2.01 -1.26 -2.82 115.64 118.13 1ba9 s THR 88 Ca 0.00 0.07 -0.24 0.00 0.31 0.00 0.00 61.69 61.83 1ba9 s THR 88 Cb 0.00 -0.66 -0.08 0.00 0.01 0.00 0.00 72.50 71.77 1ba9 s THR 88 CO 0.00 -0.03 0.79 0.00 -0.69 0.00 0.00 174.62 174.69 1ba9 s ALA 89 N 2.48 3.40 1.14 7.40 0.00 0.34 -4.32 121.76 132.21 1ba9 s ALA 89 Ca 0.06 0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.15 1ba9 s ALA 89 Cb -0.14 -2.95 0.27 0.00 0.00 0.00 0.00 23.12 20.31 1ba9 s ALA 89 CO -0.12 0.29 1.22 -0.40 0.00 0.00 0.00 175.76 176.75 1ba9 n ASP 90 N 1.14 -1.11 0.10 0.00 5.68 0.31 -1.47 116.55 121.20 1ba9 n ASP 90 Ca -0.03 -1.32 0.09 0.00 -0.50 0.00 0.00 54.79 53.02 1ba9 n ASP 90 Cb 0.50 -1.03 0.41 0.00 -1.14 0.00 0.00 41.12 39.86 1ba9 n ASP 90 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1ba9 n LYS 91 N -4.43 0.11 0.02 0.11 2.85 -1.26 -1.06 118.16 114.49 1ba9 n LYS 91 Ca 0.16 0.49 0.11 0.00 -1.05 0.00 0.00 58.31 58.02 1ba9 n LYS 91 Cb 0.59 -1.78 0.11 0.00 -0.65 0.00 0.00 35.03 33.30 1ba9 n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1ba9 n ASP 92 N -2.01 0.63 0.00 -5.58 9.92 -1.26 -4.88 116.55 113.37 1ba9 n ASP 92 Ca 0.01 -0.31 0.00 0.00 -0.53 0.00 0.00 54.79 53.96 1ba9 n ASP 92 Cb 0.11 0.55 0.00 0.00 -0.64 0.00 0.00 41.12 41.14 1ba9 n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ba9 n GLY 93 N 1.43 0.79 3.38 0.44 0.00 -0.23 -4.64 105.19 106.36 1ba9 n GLY 93 Ca 0.04 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 1ba9 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ba9 s VAL 94 N -2.00 3.80 -0.33 1.61 1.01 -1.26 -0.95 120.40 122.28 1ba9 s VAL 94 Ca 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 1ba9 s VAL 94 Cb 0.00 -2.75 0.04 0.00 0.00 0.00 0.00 36.38 33.67 1ba9 s VAL 94 CO 0.00 0.39 0.09 0.00 0.00 0.00 0.00 175.10 175.58 1ba9 s ALA 95 N 1.48 3.02 -0.14 5.51 0.00 -1.25 -0.53 121.76 129.86 1ba9 s ALA 95 Ca 0.06 -1.70 -0.23 0.00 0.00 0.00 0.00 51.96 50.09 1ba9 s ALA 95 Cb -0.15 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 1ba9 s ALA 95 CO -0.00 -1.26 0.69 0.34 0.00 0.00 0.00 175.76 175.53 1ba9 s ASP 96 N 1.40 6.86 -0.03 0.00 -1.08 -1.26 -1.12 116.67 121.44 1ba9 s ASP 96 Ca -0.01 1.04 0.01 0.00 -0.52 0.00 0.00 52.55 53.06 1ba9 s ASP 96 Cb -0.19 -2.39 -0.03 0.00 -1.46 0.00 0.00 42.92 38.84 1ba9 s ASP 96 CO 0.02 -0.22 -0.00 -0.69 0.52 0.00 0.00 175.17 174.79 1ba9 s VAL 97 N 1.46 4.16 -0.46 1.11 1.01 0.33 -4.77 120.40 123.24 1ba9 s VAL 97 Ca 0.34 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1ba9 s VAL 97 Cb -0.17 -2.82 0.19 0.00 0.00 0.00 0.00 36.38 33.59 1ba9 s VAL 97 CO 0.14 0.45 0.81 -0.55 0.00 0.00 0.00 175.10 175.95 1ba9 s SER 98 N -1.32 -1.17 0.32 3.32 0.15 -1.22 -1.14 113.70 112.63 1ba9 s SER 98 Ca 0.17 -1.29 0.05 0.00 0.70 0.00 0.00 55.95 55.59 1ba9 s SER 98 Cb -0.11 1.53 -0.03 0.00 -1.71 0.00 0.00 66.02 65.69 1ba9 s SER 98 CO 0.07 -0.05 0.23 -0.51 1.20 0.00 0.00 173.24 174.18 1ba9 s ILE 99 N 1.03 0.10 0.06 6.45 2.07 0.12 -5.01 121.20 126.02 1ba9 s ILE 99 Ca 0.27 -2.00 -0.08 0.00 -1.41 0.00 0.00 60.65 57.43 1ba9 s ILE 99 Cb 0.02 -2.48 -0.00 0.00 0.13 0.00 0.00 42.46 40.13 1ba9 s ILE 99 CO -0.07 0.00 0.16 -1.83 -1.91 0.00 0.00 174.94 171.29 1ba9 s GLU 100 N -3.63 0.74 0.05 3.50 -1.05 -1.26 0.10 118.70 117.16 1ba9 s GLU 100 Ca 0.38 -0.83 -0.04 0.00 -0.15 0.00 0.00 54.97 54.33 1ba9 s GLU 100 Cb 0.03 0.30 -0.02 0.00 -0.44 0.00 0.00 34.13 34.00 1ba9 s GLU 100 CO 0.23 -0.21 0.06 -0.51 0.95 0.00 0.00 175.26 175.77 1ba9 s ASP 101 N -2.49 0.29 0.00 0.83 1.01 -0.26 -4.95 116.67 111.11 1ba9 s ASP 101 Ca 0.00 -0.73 0.21 0.00 0.71 0.00 0.00 52.55 52.74 1ba9 s ASP 101 Cb 0.02 0.23 0.17 0.00 1.01 0.00 0.00 42.92 44.35 1ba9 s ASP 101 CO -0.08 -0.57 1.18 -1.20 0.21 0.00 0.00 175.17 174.71 1ba9 n SER 102 N 0.42 2.77 -0.10 0.27 7.64 -1.26 -0.30 113.62 123.04 1ba9 n SER 102 Ca -0.17 -1.88 -0.16 0.00 1.01 0.00 0.00 58.87 57.67 1ba9 n SER 102 Cb 0.60 0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 1ba9 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ba9 n VAL 103 N 1.17 1.50 -2.34 0.44 0.31 -1.26 -4.87 118.33 113.28 1ba9 n VAL 103 Ca 0.12 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 64.02 1ba9 n VAL 103 Cb 0.53 -2.17 -0.03 0.00 -0.91 0.00 0.00 33.84 31.26 1ba9 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1ba9 s ILE 104 N -2.54 3.66 0.30 2.52 -4.36 -1.26 -4.77 121.20 114.76 1ba9 s ILE 104 Ca -0.28 1.27 0.04 0.00 -0.26 0.00 0.00 60.65 61.42 1ba9 s ILE 104 Cb 0.07 -3.82 -0.03 0.00 1.25 0.00 0.00 42.46 39.94 1ba9 s ILE 104 CO 0.43 0.14 0.28 -0.44 0.24 0.00 0.00 174.94 175.59 1ba9 s SER 105 N 0.67 1.21 0.00 4.36 0.01 -1.26 -4.47 113.70 114.23 1ba9 s SER 105 Ca 0.57 -1.63 0.18 0.00 1.31 0.00 0.00 55.95 56.39 1ba9 s SER 105 Cb -0.33 0.53 0.61 0.00 0.21 0.00 0.00 66.02 67.05 1ba9 s SER 105 CO 0.33 -1.05 1.46 0.18 0.41 0.00 0.00 173.24 174.57 1ba9 n LEU 106 N -0.53 1.87 0.00 2.44 4.32 -1.26 -0.48 117.00 123.35 1ba9 n LEU 106 Ca 0.05 -0.83 0.00 0.00 -0.02 0.00 0.00 56.01 55.21 1ba9 n LEU 106 Cb 0.63 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 1ba9 n LEU 106 CO 0.32 0.42 0.00 -1.54 -1.22 0.00 0.00 177.39 175.36 1ba9 n SER 107 N 0.47 0.00 0.00 -1.43 3.41 -1.26 -4.66 113.62 110.15 1ba9 n SER 107 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1ba9 n SER 107 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1ba9 n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ba9 n GLY 108 N 0.00 1.93 1.62 5.00 0.00 -1.26 -2.28 105.19 110.20 1ba9 n GLY 108 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ba9 n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ba9 n ASP 109 N 3.67 -3.19 -0.00 1.61 -0.08 -1.26 -4.92 116.55 112.37 1ba9 n ASP 109 Ca 0.00 0.82 0.00 0.00 -1.51 0.00 0.00 54.79 54.10 1ba9 n ASP 109 Cb 0.00 3.09 0.00 0.00 2.34 0.00 0.00 41.12 46.55 1ba9 n ASP 109 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1ba9 n HIS 110 N -3.34 0.00 -0.51 -0.67 8.25 -1.24 -4.85 115.22 112.86 1ba9 n HIS 110 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1ba9 n HIS 110 Cb 0.00 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 1ba9 n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ba9 n SER 111 N -0.50 -0.05 0.25 0.41 2.88 -0.97 -4.30 113.62 111.35 1ba9 n SER 111 Ca 0.00 -0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 1ba9 n SER 111 Cb 0.00 -0.28 0.80 0.00 -0.75 0.00 0.00 64.21 63.98 1ba9 n SER 111 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1ba9 h ILE 112 N 2.62 0.00 -1.88 2.46 -2.65 -1.05 -3.42 117.51 113.59 1ba9 h ILE 112 Ca -0.01 -0.23 -0.60 0.00 1.03 0.00 0.00 64.86 65.05 1ba9 h ILE 112 Cb 0.43 1.10 0.00 0.00 -2.05 0.00 0.00 36.82 36.30 1ba9 h ILE 112 CO 0.49 0.00 1.36 -0.38 0.03 0.00 0.00 178.15 179.65 1ba9 n ILE 113 N -2.80 0.43 0.00 0.16 2.08 -1.26 -0.85 119.36 117.11 1ba9 n ILE 113 Ca -0.01 -0.30 0.00 0.00 0.56 0.00 0.00 62.75 63.00 1ba9 n ILE 113 Cb 0.18 -2.22 0.00 0.00 -0.75 0.00 0.00 39.64 36.85 1ba9 n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ba9 n GLY 114 N 5.46 2.05 3.88 7.39 0.00 0.24 -5.01 105.19 119.20 1ba9 n GLY 114 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 1ba9 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ba9 s ARG 115 N -0.17 3.15 -0.20 1.61 3.00 -0.03 -3.56 118.95 122.74 1ba9 s ARG 115 Ca 0.00 0.55 -0.08 0.00 0.00 0.00 0.00 55.73 56.20 1ba9 s ARG 115 Cb 0.00 -2.06 -0.04 0.00 0.00 0.00 0.00 34.95 32.85 1ba9 s ARG 115 CO 0.00 -0.83 0.07 0.99 0.00 0.00 0.00 175.30 175.53 1ba9 s THR 116 N -3.27 4.75 -0.15 0.02 2.01 -1.24 -0.59 115.64 117.17 1ba9 s THR 116 Ca 0.57 -0.04 -0.18 0.00 0.31 0.00 0.00 61.69 62.34 1ba9 s THR 116 Cb -0.11 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 1ba9 s THR 116 CO 0.52 0.42 0.50 -0.22 -0.69 0.00 0.00 174.62 175.15 1ba9 s LEU 117 N 0.69 4.22 0.07 4.42 1.98 0.03 -0.40 118.68 129.69 1ba9 s LEU 117 Ca 0.04 0.75 0.06 0.00 -2.89 0.00 0.00 54.13 52.09 1ba9 s LEU 117 Cb -0.13 -2.70 -0.04 0.00 0.66 0.00 0.00 46.19 43.98 1ba9 s LEU 117 CO 0.02 -0.08 -0.08 -0.69 -1.89 0.00 0.00 176.35 173.62 1ba9 s VAL 118 N 1.08 3.49 -0.02 1.68 1.01 0.03 -2.03 120.40 125.64 1ba9 s VAL 118 Ca 0.25 -1.11 0.16 0.00 0.00 0.00 0.00 61.98 61.28 1ba9 s VAL 118 Cb -0.15 -2.60 -0.25 0.00 0.00 0.00 0.00 36.38 33.38 1ba9 s VAL 118 CO 0.10 0.19 0.35 0.55 0.00 0.00 0.00 175.10 176.29 1ba9 n VAL 119 N 0.93 0.00 -1.12 2.92 3.14 -1.24 -1.18 118.33 121.79 1ba9 n VAL 119 Ca -0.14 -0.36 0.11 0.00 -2.96 0.00 0.00 64.34 60.99 1ba9 n VAL 119 Cb 0.52 0.14 -0.06 0.00 -1.06 0.00 0.00 33.84 33.38 1ba9 n VAL 119 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1ba9 n HIS 120 N -2.05 -2.50 -0.03 1.45 8.25 -1.10 -2.18 115.22 117.05 1ba9 n HIS 120 Ca -0.03 1.37 -0.14 0.00 -0.26 0.00 0.00 57.72 58.67 1ba9 n HIS 120 Cb 0.41 -2.28 -0.10 0.00 1.12 0.00 0.00 29.99 29.15 1ba9 n HIS 120 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1ba9 h GLU 121 N -1.29 0.18 0.00 -0.41 4.81 -0.98 -3.40 114.58 113.49 1ba9 h GLU 121 Ca -0.12 -0.13 -0.51 0.00 -0.13 0.00 0.00 59.36 58.47 1ba9 h GLU 121 Cb 0.95 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.28 1ba9 h GLU 121 CO 0.05 0.74 -0.30 1.63 -0.73 0.00 0.00 179.01 180.40 1ba9 n LYS 122 N -4.62 0.89 -1.54 1.92 4.76 -1.26 -4.85 118.16 113.46 1ba9 n LYS 122 Ca -0.08 -2.95 -0.36 0.00 -2.87 0.00 0.00 58.31 52.05 1ba9 n LYS 122 Cb 0.38 0.53 0.08 0.00 -1.84 0.00 0.00 35.03 34.18 1ba9 n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ba9 n ALA 123 N -1.88 0.65 -2.67 7.82 0.00 -0.09 -0.70 120.51 123.64 1ba9 n ALA 123 Ca -0.16 -0.09 -0.38 0.00 0.00 0.00 0.00 53.44 52.81 1ba9 n ALA 123 Cb 0.53 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 17.63 1ba9 n ALA 123 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1ba9 s ASP 124 N -1.56 6.36 0.00 0.00 -4.77 -1.26 -3.96 116.67 111.48 1ba9 s ASP 124 Ca 0.79 0.42 0.00 0.00 -3.30 0.00 0.00 52.55 50.46 1ba9 s ASP 124 Cb -0.36 -2.20 0.00 0.00 -1.09 0.00 0.00 42.92 39.27 1ba9 s ASP 124 CO 0.44 -0.05 0.43 0.47 0.70 0.00 0.00 175.17 177.16 1ba9 n ASP 125 N 4.47 1.01 -4.39 2.11 8.00 0.69 -4.78 116.55 123.65 1ba9 n ASP 125 Ca -0.10 -1.45 -0.38 0.00 0.71 0.00 0.00 54.79 53.57 1ba9 n ASP 125 Cb 0.51 -0.36 -0.07 0.00 -0.02 0.00 0.00 41.12 41.19 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ba9 n LEU 126 N 0.24 -1.17 0.00 0.64 4.77 -1.26 -0.46 117.00 119.75 1ba9 n LEU 126 Ca 0.00 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 1ba9 n LEU 126 Cb 0.22 -1.77 0.00 0.00 -2.33 0.00 0.00 43.42 39.54 1ba9 n LEU 126 CO 0.00 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1ba9 n GLY 127 N -1.46 1.24 0.14 -0.72 0.00 -1.25 -4.06 105.19 99.08 1ba9 n GLY 127 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ba9 n LYS 128 N -2.00 0.18 0.29 1.61 4.76 0.40 -2.03 118.16 121.36 1ba9 n LYS 128 Ca 0.00 0.49 0.15 0.00 -2.87 0.00 0.00 58.31 56.08 1ba9 n LYS 128 Cb 0.00 -1.90 0.90 0.00 -1.84 0.00 0.00 35.03 32.19 1ba9 n LYS 128 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1ba9 h GLY 129 N 1.56 0.00 -3.74 0.72 0.00 -1.89 -3.46 103.07 96.25 1ba9 h GLY 129 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1ba9 h GLY 129 CO 0.00 0.00 -0.38 0.61 0.00 0.00 0.00 176.54 176.77 1ba9 n GLY 130 N -1.29 0.09 3.23 4.60 0.00 -0.86 -5.01 105.19 105.96 1ba9 n GLY 130 Ca -0.03 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1ba9 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ba9 s ASN 131 N -3.41 -0.10 0.25 1.61 6.03 -1.26 -5.03 114.94 113.03 1ba9 s ASN 131 Ca 0.18 -0.21 -0.13 0.00 -1.03 0.00 0.00 52.86 51.68 1ba9 s ASN 131 Cb -0.08 0.34 0.34 0.00 -3.03 0.00 0.00 41.25 38.82 1ba9 s ASN 131 CO 0.39 -0.59 1.52 1.21 -2.03 0.00 0.00 177.10 177.61 1ba9 n GLU 132 N 0.66 -0.16 0.00 3.55 0.00 -1.26 -0.42 120.64 123.02 1ba9 n GLU 132 Ca -0.19 1.52 0.00 0.00 0.00 0.00 0.00 57.16 58.49 1ba9 n GLU 132 Cb 0.59 -2.26 0.00 0.00 0.00 0.00 0.00 31.44 29.77 1ba9 n GLU 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1ba9 n GLN 133 N -5.52 0.00 -0.27 5.31 0.00 -1.26 -0.16 117.38 115.48 1ba9 n GLN 133 Ca 0.13 0.31 -0.04 0.00 -0.00 0.00 0.00 57.00 57.40 1ba9 n GLN 133 Cb 0.44 -0.89 -0.02 0.00 0.00 0.00 0.00 30.24 29.77 1ba9 n GLN 133 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1ba9 n SER 134 N -0.71 -0.57 0.00 1.69 2.88 -0.93 0.47 113.62 116.45 1ba9 n SER 134 Ca 0.00 1.17 0.08 0.00 -1.33 0.00 0.00 58.87 58.80 1ba9 n SER 134 Cb 0.00 -0.21 0.40 0.00 -0.75 0.00 0.00 64.21 63.65 1ba9 n SER 134 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ba9 n THR 135 N -4.90 0.65 -0.05 2.46 -2.24 0.44 -0.20 114.28 110.44 1ba9 n THR 135 Ca 0.04 0.16 -0.06 0.00 -2.27 0.00 0.00 64.05 61.92 1ba9 n THR 135 Cb 0.22 -0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 67.51 1ba9 n THR 135 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ba9 n LYS 136 N -1.38 1.72 0.00 -0.78 4.81 0.77 -0.31 118.16 122.98 1ba9 n LYS 136 Ca 0.06 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1ba9 n LYS 136 Cb 0.16 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 33.98 1ba9 n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ba9 n THR 137 N -2.52 0.00 0.00 3.15 -2.24 0.18 -4.16 114.28 108.69 1ba9 n THR 137 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1ba9 n THR 137 Cb 0.77 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1ba9 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ba9 n GLY 138 N 2.85 0.68 2.86 3.38 0.00 0.72 -4.63 105.19 111.05 1ba9 n GLY 138 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ba9 n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ba9 n ASN 139 N 0.00 -2.11 0.45 1.61 5.15 -1.26 -0.22 115.26 118.88 1ba9 n ASN 139 Ca 0.00 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 53.79 1ba9 n ASN 139 Cb 0.00 -1.29 -0.09 0.00 -0.53 0.00 0.00 39.78 37.87 1ba9 n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ba9 h ALA 140 N 0.00 -1.13 0.00 5.20 0.00 -1.82 -3.48 119.26 118.03 1ba9 h ALA 140 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ba9 h ALA 140 Cb 0.19 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ba9 h ALA 140 CO 0.00 -1.13 0.00 0.41 0.00 0.00 0.00 179.25 178.53 1ba9 n GLY 141 N -1.55 0.81 0.00 0.00 0.00 -1.26 -4.13 105.19 99.06 1ba9 n GLY 141 Ca -0.15 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1ba9 n GLY 141 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ba9 n SER 142 N 0.00 -0.43 -4.16 1.61 2.88 -1.26 -4.55 113.62 107.71 1ba9 n SER 142 Ca 0.00 -0.70 -0.39 0.00 -1.33 0.00 0.00 58.87 56.45 1ba9 n SER 142 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1ba9 n SER 142 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ba9 s ARG 143 N -2.74 2.78 0.29 -1.46 3.00 -1.26 -0.42 118.95 119.14 1ba9 s ARG 143 Ca 0.00 -2.43 0.04 0.00 0.00 0.00 0.00 55.73 53.34 1ba9 s ARG 143 Cb 0.00 -3.91 0.70 0.00 0.00 0.00 0.00 34.95 31.74 1ba9 s ARG 143 CO 0.00 -1.20 1.73 -0.07 0.00 0.00 0.00 175.30 175.76 1ba9 h LEU 144 N 7.36 0.51 -7.98 2.53 -0.00 -1.93 -3.43 115.31 112.36 1ba9 h LEU 144 Ca -0.01 0.13 -0.10 0.00 -0.00 0.00 0.00 57.88 57.90 1ba9 h LEU 144 Cb 0.99 0.06 -0.13 0.00 -0.00 0.00 0.00 40.66 41.57 1ba9 h LEU 144 CO 0.73 0.12 -0.34 0.00 -0.00 0.00 0.00 178.44 178.96 1ba9 s ALA 145 N -5.89 -0.08 0.01 1.53 0.00 -1.26 -3.78 121.76 112.28 1ba9 s ALA 145 Ca -0.12 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 1ba9 s ALA 145 Cb 0.24 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 24.09 1ba9 s ALA 145 CO 0.79 -0.60 0.04 0.00 0.00 0.00 0.00 175.76 175.99 1ba9 s GLY 147 N -1.45 -0.36 0.34 0.00 0.00 -0.86 -1.24 107.32 103.76 1ba9 s GLY 147 Ca -0.15 2.66 -0.27 0.00 0.00 0.00 0.00 44.72 46.95 1ba9 s GLY 147 CO 0.00 2.34 1.17 0.54 0.00 0.00 0.00 173.10 177.14 1ba9 s VAL 148 N 1.25 3.21 -0.12 1.40 0.11 -1.26 -0.79 120.40 124.20 1ba9 s VAL 148 Ca -0.07 1.12 -0.13 0.00 -2.93 0.00 0.00 61.98 59.97 1ba9 s VAL 148 Cb -0.05 -3.68 -0.05 0.00 -1.53 0.00 0.00 36.38 31.08 1ba9 s VAL 148 CO -0.14 0.19 0.31 -0.63 -3.33 0.00 0.00 175.10 171.50 1ba9 s ILE 149 N -1.29 5.26 0.23 7.04 1.01 0.24 -4.09 121.20 129.60 1ba9 s ILE 149 Ca 0.51 0.60 -0.04 0.00 0.00 0.00 0.00 60.65 61.72 1ba9 s ILE 149 Cb -0.32 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 1ba9 s ILE 149 CO 0.42 0.46 0.24 -0.83 0.00 0.00 0.00 174.94 175.23 1ba9 s GLY 150 N -0.06 1.26 0.39 6.18 0.00 -0.05 -0.59 107.32 114.46 1ba9 s GLY 150 Ca 0.19 -1.50 -0.27 0.00 0.00 0.00 0.00 44.72 43.13 1ba9 s GLY 150 CO 0.06 -1.19 1.31 -0.42 0.00 0.00 0.00 173.10 172.86 1ba9 s ILE 151 N -4.04 2.61 0.33 0.90 1.09 -1.26 -0.23 121.20 120.61 1ba9 s ILE 151 Ca 0.35 0.57 0.04 0.00 -1.10 0.00 0.00 60.65 60.51 1ba9 s ILE 151 Cb 0.04 -3.34 0.04 0.00 -1.06 0.00 0.00 42.46 38.15 1ba9 s ILE 151 CO 0.12 0.10 0.36 0.00 -0.10 0.00 0.00 174.94 175.43 1ba9 n ALA 152 N 0.28 0.62 1.10 9.38 0.00 0.04 -4.61 120.51 127.32 1ba9 n ALA 152 Ca 0.03 -1.25 0.09 0.00 0.00 0.00 0.00 53.44 52.31 1ba9 n ALA 152 Cb 0.43 0.42 0.52 0.00 0.00 0.00 0.00 19.45 20.83 1ba9 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44