#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 0.00 -3.73 0.00 -1.04 -1.26 -4.44 114.28 103.81 1ba9 n THR 2 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 1ba9 n THR 2 Cb 0.00 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.36 1ba9 n THR 2 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1ba9 s LYS 3 N 0.00 0.04 0.30 -2.82 2.20 -1.26 -1.24 119.74 116.96 1ba9 s LYS 3 Ca 0.00 0.37 0.08 0.00 -0.36 0.00 0.00 55.97 56.06 1ba9 s LYS 3 Cb 0.00 -0.24 -0.06 0.00 -1.51 0.00 0.00 37.83 36.02 1ba9 s LYS 3 CO 0.00 -0.21 -0.10 0.00 -0.36 0.00 0.00 175.35 174.69 1ba9 s ALA 4 N 1.44 2.60 0.05 3.13 0.00 0.42 -1.40 121.76 128.01 1ba9 s ALA 4 Ca -0.06 -1.95 0.03 0.00 0.00 0.00 0.00 51.96 49.98 1ba9 s ALA 4 Cb -0.12 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1ba9 s ALA 4 CO -0.05 0.04 -0.10 0.54 0.00 0.00 0.00 175.76 176.19 1ba9 s VAL 5 N -2.79 0.70 -0.13 0.00 0.11 0.55 -0.61 120.40 118.24 1ba9 s VAL 5 Ca 0.30 -1.16 -0.02 0.00 -2.93 0.00 0.00 61.98 58.17 1ba9 s VAL 5 Cb 0.02 -0.76 0.04 0.00 -1.53 0.00 0.00 36.38 34.15 1ba9 s VAL 5 CO 0.14 -0.35 0.01 0.00 -3.33 0.00 0.00 175.10 171.57 1ba9 s ALA 6 N -1.38 0.85 -0.73 1.54 0.00 -0.17 -0.92 121.76 120.95 1ba9 s ALA 6 Ca -0.07 -0.39 -0.22 0.00 0.00 0.00 0.00 51.96 51.28 1ba9 s ALA 6 Cb -0.10 -0.94 0.07 0.00 0.00 0.00 0.00 23.12 22.16 1ba9 s ALA 6 CO 0.01 -0.76 1.04 0.14 0.00 0.00 0.00 175.76 176.19 1ba9 s VAL 7 N 1.91 4.31 0.43 0.00 -7.23 -1.25 -1.03 120.40 117.53 1ba9 s VAL 7 Ca 0.03 -0.49 -0.26 0.00 -1.81 0.00 0.00 61.98 59.45 1ba9 s VAL 7 Cb -0.14 -4.74 -0.08 0.00 0.56 0.00 0.00 36.38 31.97 1ba9 s VAL 7 CO -0.07 -1.53 1.37 -0.76 -0.31 0.00 0.00 175.10 173.80 1ba9 s LEU 8 N 4.06 4.15 -0.18 1.32 1.02 0.81 -4.43 118.68 125.43 1ba9 s LEU 8 Ca 0.26 2.80 -0.18 0.00 0.02 0.00 0.00 54.13 57.03 1ba9 s LEU 8 Cb -0.13 -3.93 0.05 0.00 0.02 0.00 0.00 46.19 42.20 1ba9 s LEU 8 CO 0.07 -1.04 0.51 -0.75 0.02 0.00 0.00 176.35 175.16 1ba9 s LYS 9 N -2.37 0.62 0.00 1.70 2.20 0.49 -1.13 119.74 121.24 1ba9 s LYS 9 Ca 0.59 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 56.86 1ba9 s LYS 9 Cb -0.41 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.21 1ba9 s LYS 9 CO 0.53 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.84 1ba9 n GLY 10 N 2.66 6.46 0.29 5.54 0.00 -0.88 -0.62 105.19 118.65 1ba9 n GLY 10 Ca -0.14 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 0.91 -2.73 1.61 3.58 -1.89 -3.44 116.42 114.45 1ba9 h ASP 11 Ca 0.00 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1ba9 h ASP 11 Cb 0.00 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.81 1ba9 h ASP 11 CO 0.00 1.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.97 1ba9 n GLY 12 N -0.41 1.41 0.00 -0.78 0.00 -1.26 -4.99 105.19 99.16 1ba9 n GLY 12 Ca 0.02 -2.01 0.12 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.54 0.30 -1.23 1.61 -0.04 -1.26 -4.79 135.00 129.04 1ba9 n PRO 13 Ca 0.00 0.05 -0.50 0.00 -0.04 0.00 0.00 63.50 63.01 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 1.33 -0.04 0.00 0.00 175.50 176.79 1ba9 n VAL 14 N -1.32 0.00 -4.40 0.52 0.24 -1.25 -4.77 118.33 107.34 1ba9 n VAL 14 Ca 0.11 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.19 1ba9 n VAL 14 Cb 0.22 -0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 32.02 1ba9 n VAL 14 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ba9 s GLN 15 N 6.45 1.48 -0.20 7.34 -2.07 -0.22 -2.06 119.66 130.39 1ba9 s GLN 15 Ca 1.16 -1.64 -0.05 0.00 -1.82 0.00 0.00 55.36 53.01 1ba9 s GLN 15 Cb -1.32 -1.46 0.10 0.00 -1.09 0.00 0.00 33.01 29.24 1ba9 s GLN 15 CO 0.56 0.27 0.35 0.20 -1.32 0.00 0.00 175.29 175.35 1ba9 s GLY 16 N -3.29 -0.29 -0.90 2.60 0.00 -0.29 0.25 107.32 105.40 1ba9 s GLY 16 Ca 0.25 1.07 -0.22 0.00 0.00 0.00 0.00 44.72 45.82 1ba9 s GLY 16 CO 0.10 2.36 1.23 -0.42 0.00 0.00 0.00 173.10 176.38 1ba9 s ILE 17 N 2.52 4.28 0.25 0.90 1.09 -0.67 -0.13 121.20 129.43 1ba9 s ILE 17 Ca 0.04 -0.90 -0.25 0.00 -1.10 0.00 0.00 60.65 58.45 1ba9 s ILE 17 Cb -0.13 -4.88 -0.09 0.00 -1.06 0.00 0.00 42.46 36.30 1ba9 s ILE 17 CO -0.13 -1.69 0.84 -0.63 -0.10 0.00 0.00 174.94 173.23 1ba9 s ILE 18 N 4.02 4.33 -0.02 2.92 -1.09 -0.20 -2.00 121.20 129.17 1ba9 s ILE 18 Ca 0.36 1.68 0.02 0.00 -2.23 0.00 0.00 60.65 60.47 1ba9 s ILE 18 Cb -0.05 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 1ba9 s ILE 18 CO -0.04 0.30 -0.06 0.20 -1.23 0.00 0.00 174.94 174.11 1ba9 s ASN 19 N -1.46 0.81 -0.12 3.58 -0.87 0.05 -1.00 114.94 115.94 1ba9 s ASN 19 Ca 0.43 -0.12 0.03 0.00 -1.57 0.00 0.00 52.86 51.64 1ba9 s ASN 19 Cb -0.20 -0.20 0.00 0.00 -0.02 0.00 0.00 41.25 40.83 1ba9 s ASN 19 CO 0.25 0.04 -0.23 -0.36 -2.57 0.00 0.00 177.10 174.22 1ba9 s PHE 20 N 0.21 2.61 0.02 2.20 0.40 0.22 -0.33 117.98 123.31 1ba9 s PHE 20 Ca -0.02 -1.18 0.07 0.00 -0.60 0.00 0.00 56.93 55.20 1ba9 s PHE 20 Cb -0.07 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.68 1ba9 s PHE 20 CO -0.00 -0.51 -0.21 -2.00 0.70 0.00 0.00 175.22 173.20 1ba9 s GLU 21 N 0.55 2.05 0.09 0.44 2.12 -0.21 -0.43 118.70 123.31 1ba9 s GLU 21 Ca -0.14 -0.98 0.00 0.00 0.36 0.00 0.00 54.97 54.22 1ba9 s GLU 21 Cb -0.17 -2.13 0.00 0.00 0.26 0.00 0.00 34.13 32.09 1ba9 s GLU 21 CO 0.04 0.55 0.00 0.94 -0.54 0.00 0.00 175.26 176.25 1ba9 n GLN 22 N 1.83 0.00 0.00 4.30 7.27 -0.37 -0.59 117.38 129.82 1ba9 n GLN 22 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.91 1ba9 n GLN 22 Cb 0.52 -0.28 0.00 0.00 2.41 0.00 0.00 30.24 32.89 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1ba9 n LYS 23 N -3.14 0.00 -2.70 3.69 4.81 -1.20 -4.85 118.16 114.77 1ba9 n LYS 23 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 1ba9 n LYS 23 Cb 0.14 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.13 1ba9 n LYS 23 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1ba9 s GLU 24 N 0.00 4.49 0.09 1.64 2.02 -1.26 -4.44 118.70 121.25 1ba9 s GLU 24 Ca 0.00 1.41 -0.25 0.00 0.02 0.00 0.00 54.97 56.14 1ba9 s GLU 24 Cb 0.00 -2.77 -0.14 0.00 0.10 0.00 0.00 34.13 31.32 1ba9 s GLU 24 CO 0.00 0.18 1.70 0.66 0.02 0.00 0.00 175.26 177.82 1ba9 h SER 25 N 3.07 -0.25 -0.54 -0.19 4.64 -2.00 -3.32 113.55 114.95 1ba9 h SER 25 Ca -0.47 0.02 -0.39 0.00 -0.47 0.00 0.00 61.79 60.48 1ba9 h SER 25 Cb 1.20 0.08 -0.37 0.00 -0.31 0.00 0.00 62.40 63.00 1ba9 h SER 25 CO 0.64 -0.16 -0.87 0.59 -0.87 0.00 0.00 176.83 176.16 1ba9 n ASN 26 N -5.21 3.47 -4.90 4.97 3.02 -1.26 -4.75 115.26 110.60 1ba9 n ASN 26 Ca -0.08 -3.23 -0.21 0.00 -0.03 0.00 0.00 54.58 51.03 1ba9 n ASN 26 Cb 0.14 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 38.89 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 -3.53 2.13 0.12 7.41 0.00 -1.25 -5.07 107.32 107.13 1ba9 s GLY 27 Ca 0.42 -1.80 -0.31 0.00 0.00 0.00 0.00 44.72 43.03 1ba9 s GLY 27 CO -0.00 -1.72 1.50 2.56 0.00 0.00 0.00 173.10 175.44 1ba9 s PRO 28 N -4.21 4.26 0.43 2.90 0.04 -1.26 -4.87 135.00 132.28 1ba9 s PRO 28 Ca 0.48 2.22 -0.24 0.00 0.04 0.00 0.00 61.00 63.49 1ba9 s PRO 28 Cb -0.04 -3.30 -0.08 0.00 0.04 0.00 0.00 34.50 31.12 1ba9 s PRO 28 CO 0.28 -0.56 1.17 0.08 0.04 0.00 0.00 177.00 178.00 1ba9 s VAL 29 N 1.49 3.14 -0.25 -0.36 1.01 0.63 -4.79 120.40 121.26 1ba9 s VAL 29 Ca 0.68 0.90 -0.11 0.00 0.00 0.00 0.00 61.98 63.45 1ba9 s VAL 29 Cb -0.39 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1ba9 s VAL 29 CO 0.31 0.03 0.17 -0.54 0.00 0.00 0.00 175.10 175.07 1ba9 s LYS 30 N -2.50 4.04 -0.33 2.72 3.01 0.25 -1.63 119.74 125.29 1ba9 s LYS 30 Ca 0.60 -0.27 -0.12 0.00 -1.01 0.00 0.00 55.97 55.17 1ba9 s LYS 30 Cb -0.29 -3.57 -0.02 0.00 -1.01 0.00 0.00 37.83 32.93 1ba9 s LYS 30 CO 0.36 -0.01 0.22 0.08 0.51 0.00 0.00 175.35 176.51 1ba9 s VAL 31 N 1.27 5.20 0.29 3.17 1.01 0.67 -1.04 120.40 130.96 1ba9 s VAL 31 Ca 0.08 -0.18 0.11 0.00 0.00 0.00 0.00 61.98 61.99 1ba9 s VAL 31 Cb -0.14 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1ba9 s VAL 31 CO 0.06 0.04 -0.15 0.26 0.00 0.00 0.00 175.10 175.32 1ba9 s TRP 32 N 1.71 2.37 0.20 5.22 0.51 0.55 -0.65 118.94 128.84 1ba9 s TRP 32 Ca 0.06 -0.34 -0.22 0.00 -2.12 0.00 0.00 56.10 53.48 1ba9 s TRP 32 Cb -0.17 -1.09 0.07 0.00 -0.81 0.00 0.00 33.47 31.47 1ba9 s TRP 32 CO 0.10 0.68 1.02 0.20 -0.51 0.00 0.00 176.95 178.44 1ba9 s GLY 33 N -3.55 0.11 -0.34 0.98 0.00 -1.01 -0.77 107.32 102.73 1ba9 s GLY 33 Ca 0.31 -0.33 0.01 0.00 0.00 0.00 0.00 44.72 44.71 1ba9 s GLY 33 CO 0.16 2.11 0.75 -1.35 0.00 0.00 0.00 173.10 174.78 1ba9 s SER 34 N -3.36 -1.19 0.81 1.64 1.04 -0.85 -0.70 113.70 111.10 1ba9 s SER 34 Ca 0.21 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.29 1ba9 s SER 34 Cb -0.03 1.62 0.08 0.00 0.10 0.00 0.00 66.02 67.79 1ba9 s SER 34 CO 0.05 -0.17 1.09 -0.63 0.98 0.00 0.00 173.24 174.56 1ba9 s ILE 35 N 2.36 3.03 -0.32 -1.02 1.01 -0.10 -1.67 121.20 124.50 1ba9 s ILE 35 Ca 0.16 0.34 0.04 0.00 0.00 0.00 0.00 60.65 61.18 1ba9 s ILE 35 Cb -0.04 -3.01 0.17 0.00 0.01 0.00 0.00 42.46 39.59 1ba9 s ILE 35 CO -0.17 -0.44 0.47 -0.54 0.00 0.00 0.00 174.94 174.26 1ba9 s LYS 36 N -5.09 0.53 0.00 2.79 1.02 0.14 -3.73 119.74 115.40 1ba9 s LYS 36 Ca 0.61 0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.63 1ba9 s LYS 36 Cb -0.15 -0.19 0.00 0.00 -0.52 0.00 0.00 37.83 36.96 1ba9 s LYS 36 CO 0.55 -1.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 1ba9 n GLY 37 N 5.09 0.35 3.49 -3.33 0.00 -0.09 -1.05 105.19 109.66 1ba9 n GLY 37 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1ba9 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ba9 s LEU 38 N 0.00 0.28 0.35 0.99 2.01 -0.98 -4.71 118.68 116.62 1ba9 s LEU 38 Ca 0.00 0.98 0.02 0.00 0.01 0.00 0.00 54.13 55.14 1ba9 s LEU 38 Cb 0.00 -2.72 -0.02 0.00 0.01 0.00 0.00 46.19 43.45 1ba9 s LEU 38 CO 0.00 -4.39 0.54 0.28 1.01 0.00 0.00 176.35 173.79 1ba9 s THR 39 N -2.65 4.80 0.72 5.49 -1.32 -1.26 -4.09 115.64 117.34 1ba9 s THR 39 Ca 0.69 -0.58 -0.16 0.00 -1.21 0.00 0.00 61.69 60.43 1ba9 s THR 39 Cb -0.16 -3.74 -0.03 0.00 -1.51 0.00 0.00 72.50 67.06 1ba9 s THR 39 CO 0.59 -0.45 0.65 -1.84 -2.21 0.00 0.00 174.62 171.36 1ba9 n GLU 40 N -1.79 0.35 0.00 7.08 0.28 -1.24 -4.65 120.64 120.67 1ba9 n GLU 40 Ca -0.04 0.16 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 1ba9 n GLU 40 Cb 0.57 -1.93 0.00 0.00 1.43 0.00 0.00 31.44 31.50 1ba9 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ba9 n GLY 41 N 1.49 -2.83 3.81 -1.84 0.00 -0.45 -4.86 105.19 100.52 1ba9 n GLY 41 Ca 0.11 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 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 4.35 -0.13 0.99 1.02 -1.26 -0.63 118.68 123.03 1ba9 s LEU 42 Ca 0.00 1.44 -0.01 0.00 0.02 0.00 0.00 54.13 55.58 1ba9 s LEU 42 Cb 0.00 -3.59 0.04 0.00 0.02 0.00 0.00 46.19 42.66 1ba9 s LEU 42 CO 0.00 0.04 -0.01 -1.00 0.02 0.00 0.00 176.35 175.39 1ba9 s HIS 43 N -1.51 1.10 0.53 0.29 3.76 0.44 -2.03 115.29 117.87 1ba9 s HIS 43 Ca 0.43 -0.62 -0.22 0.00 -0.15 0.00 0.00 55.06 54.49 1ba9 s HIS 43 Cb -0.17 -1.03 -0.05 0.00 1.11 0.00 0.00 32.58 32.43 1ba9 s HIS 43 CO 0.21 -0.49 1.37 0.41 -0.85 0.00 0.00 174.74 175.40 1ba9 n GLY 44 N 5.03 0.82 2.71 -2.22 0.00 -0.60 -0.66 105.19 110.27 1ba9 n GLY 44 Ca -0.09 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 1ba9 n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ba9 s PHE 45 N -1.27 -0.00 0.11 1.61 0.08 -0.11 -0.39 117.98 118.00 1ba9 s PHE 45 Ca 0.70 0.22 -0.15 0.00 0.12 0.00 0.00 56.93 57.81 1ba9 s PHE 45 Cb -0.42 -0.46 0.03 0.00 -0.57 0.00 0.00 43.02 41.60 1ba9 s PHE 45 CO 0.51 -0.32 0.38 -1.01 -0.10 0.00 0.00 175.22 174.67 1ba9 s HIS 46 N 2.21 -0.17 -0.30 0.36 3.76 -0.95 -2.96 115.29 117.24 1ba9 s HIS 46 Ca 0.04 -0.12 -0.29 0.00 -0.15 0.00 0.00 55.06 54.54 1ba9 s HIS 46 Cb -0.13 0.21 0.01 0.00 1.11 0.00 0.00 32.58 33.79 1ba9 s HIS 46 CO -0.06 -0.66 1.09 0.08 -0.85 0.00 0.00 174.74 174.34 1ba9 s VAL 47 N -3.61 4.49 0.26 -0.90 1.01 -0.50 -1.54 120.40 119.62 1ba9 s VAL 47 Ca 0.02 1.73 -0.15 0.00 0.00 0.00 0.00 61.98 63.59 1ba9 s VAL 47 Cb 0.02 -4.37 -0.08 0.00 0.00 0.00 0.00 36.38 31.94 1ba9 s VAL 47 CO -0.10 -0.44 0.67 -1.00 0.00 0.00 0.00 175.10 174.23 1ba9 s HIS 48 N 3.65 3.47 0.54 5.22 3.76 0.05 -1.63 115.29 130.35 1ba9 s HIS 48 Ca 0.46 1.16 0.32 0.00 -0.15 0.00 0.00 55.06 56.85 1ba9 s HIS 48 Cb -0.13 -2.48 1.82 0.00 1.11 0.00 0.00 32.58 32.90 1ba9 s HIS 48 CO 0.15 0.22 2.22 1.49 -0.85 0.00 0.00 174.74 177.97 1ba9 h GLU 49 N 2.70 0.00 -0.75 1.40 4.22 -1.47 -3.19 114.58 117.48 1ba9 h GLU 49 Ca -0.48 0.00 0.17 0.00 0.08 0.00 0.00 59.36 59.13 1ba9 h GLU 49 Cb 1.18 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.31 1ba9 h GLU 49 CO 0.66 0.03 0.16 1.05 -2.18 0.00 0.00 179.01 178.73 1ba9 h GLU 50 N 0.00 0.23 0.00 1.92 4.11 -1.81 -3.46 114.58 115.56 1ba9 h GLU 50 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1ba9 h GLU 50 Cb 0.11 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ba9 h GLU 50 CO 0.00 0.15 0.00 0.39 0.07 0.00 0.00 179.01 179.63 1ba9 n GLU 51 N -5.19 0.00 -2.92 1.06 1.02 -1.20 -3.20 120.64 110.20 1ba9 n GLU 51 Ca 0.15 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.85 1ba9 n GLU 51 Cb 0.49 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.89 1ba9 n GLU 51 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ba9 s ASP 52 N -4.00 6.80 0.07 1.62 1.01 -1.12 -4.46 116.67 116.60 1ba9 s ASP 52 Ca 0.00 -2.42 0.00 0.00 0.71 0.00 0.00 52.55 50.84 1ba9 s ASP 52 Cb 0.00 -2.40 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1ba9 s ASP 52 CO 0.00 -0.95 0.00 -3.20 0.21 0.00 0.00 175.17 171.23 1ba9 n ASN 53 N 6.25 -0.62 -3.42 0.27 5.15 -1.20 -4.98 115.26 116.71 1ba9 n ASN 53 Ca 0.29 0.14 -0.36 0.00 -0.60 0.00 0.00 54.58 54.06 1ba9 n ASN 53 Cb 0.47 0.94 -0.02 0.00 -0.53 0.00 0.00 39.78 40.63 1ba9 n ASN 53 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1ba9 n THR 54 N -2.66 3.28 -0.27 -0.44 5.66 -1.26 -4.71 114.28 113.87 1ba9 n THR 54 Ca 0.00 -2.26 0.09 0.00 -3.05 0.00 0.00 64.05 58.83 1ba9 n THR 54 Cb 0.00 -2.45 0.22 0.00 -1.55 0.00 0.00 70.33 66.55 1ba9 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ba9 h ALA 55 N 5.99 1.07 -2.21 1.79 0.00 -1.94 -3.07 119.26 120.90 1ba9 h ALA 55 Ca 0.64 0.20 -0.59 0.00 0.00 0.00 0.00 54.91 55.16 1ba9 h ALA 55 Cb 0.39 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 1ba9 h ALA 55 CO 1.75 -0.40 0.52 0.20 0.00 0.00 0.00 179.25 181.32 1ba9 s GLY 56 N -3.74 1.71 -0.37 0.00 0.00 -1.26 -5.01 107.32 98.65 1ba9 s GLY 56 Ca -0.13 -0.20 -0.27 0.00 0.00 0.00 0.00 44.72 44.12 1ba9 s GLY 56 CO 0.76 1.88 2.09 0.00 0.00 0.00 0.00 173.10 177.84 1ba9 n THR 58 N 7.64 0.00 -0.01 0.00 -1.04 -1.26 -4.91 114.28 114.70 1ba9 n THR 58 Ca 0.28 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.19 1ba9 n THR 58 Cb 0.49 -0.04 -0.04 0.00 -1.82 0.00 0.00 70.33 68.92 1ba9 n THR 58 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1ba9 h SER 59 N 0.00 0.00 -6.34 8.00 0.02 -1.94 -3.47 113.55 109.82 1ba9 h SER 59 Ca 0.00 0.02 -0.39 0.00 -0.84 0.00 0.00 61.79 60.59 1ba9 h SER 59 Cb 0.00 0.03 0.02 0.00 0.14 0.00 0.00 62.40 62.59 1ba9 h SER 59 CO 0.00 0.02 -0.82 0.00 -1.14 0.00 0.00 176.83 174.90 1ba9 n ALA 60 N -2.22 -2.66 -1.27 3.77 0.00 -1.26 -4.82 120.51 112.06 1ba9 n ALA 60 Ca -0.04 -0.24 -0.40 0.00 0.00 0.00 0.00 53.44 52.76 1ba9 n ALA 60 Cb 0.07 -2.03 0.01 0.00 0.00 0.00 0.00 19.45 17.49 1ba9 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 61 N -1.74 -3.06 3.52 0.00 0.00 -1.26 -4.93 105.19 97.73 1ba9 n GLY 61 Ca -0.17 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 1ba9 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ba9 s PRO 62 N -1.01 -1.51 0.06 1.61 0.04 -1.26 -4.18 135.00 128.75 1ba9 s PRO 62 Ca 0.58 0.10 -0.37 0.00 0.04 0.00 0.00 61.00 61.34 1ba9 s PRO 62 Cb -0.54 -1.55 -0.17 0.00 0.04 0.00 0.00 34.50 32.29 1ba9 s PRO 62 CO 0.65 -3.93 1.35 0.72 0.04 0.00 0.00 177.00 175.83 1ba9 n HIS 63 N -4.95 1.49 -0.83 0.56 8.25 -1.26 -1.64 115.22 116.84 1ba9 n HIS 63 Ca 0.11 0.66 -0.29 0.00 -0.26 0.00 0.00 57.72 57.95 1ba9 n HIS 63 Cb 0.59 -2.32 0.23 0.00 1.12 0.00 0.00 29.99 29.60 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 0.66 1.36 -0.21 4.41 5.36 -0.64 -4.67 117.98 124.24 1ba9 s PHE 64 Ca 0.86 0.95 -0.16 0.00 -0.96 0.00 0.00 56.93 57.62 1ba9 s PHE 64 Cb -0.98 -3.18 0.06 0.00 -0.34 0.00 0.00 43.02 38.57 1ba9 s PHE 64 CO 0.49 -3.65 0.54 1.21 -1.46 0.00 0.00 175.22 172.35 1ba9 s ASN 65 N -3.10 -0.64 -0.14 6.13 3.84 -1.26 -4.33 114.94 115.44 1ba9 s ASN 65 Ca 0.68 1.14 -0.11 0.00 0.21 0.00 0.00 52.86 54.77 1ba9 s ASN 65 Cb -0.20 1.09 -0.08 0.00 -0.55 0.00 0.00 41.25 41.51 1ba9 s ASN 65 CO 0.60 -0.20 0.08 1.55 -2.79 0.00 0.00 177.10 176.34 1ba9 h PRO 66 N 6.15 0.00 -0.23 0.43 0.13 -1.93 -3.41 132.00 133.13 1ba9 h PRO 66 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1ba9 h PRO 66 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ba9 h PRO 66 CO 0.20 0.31 0.00 -0.11 -0.23 0.00 0.00 178.00 178.16 1ba9 n LEU 67 N -4.64 2.57 -2.35 1.56 7.94 -1.26 -4.99 117.00 115.83 1ba9 n LEU 67 Ca -0.09 -1.81 -0.09 0.00 -1.11 0.00 0.00 56.01 52.91 1ba9 n LEU 67 Cb 0.28 -0.15 0.05 0.00 0.53 0.00 0.00 43.42 44.12 1ba9 n LEU 67 CO 0.12 0.62 0.05 -1.20 -1.11 0.00 0.00 177.39 175.87 1ba9 n SER 68 N 0.38 -2.78 -4.82 1.96 7.64 -1.26 -5.06 113.62 109.67 1ba9 n SER 68 Ca 0.09 -0.35 -0.23 0.00 1.01 0.00 0.00 58.87 59.39 1ba9 n SER 68 Cb 0.36 -3.01 0.07 0.00 -1.01 0.00 0.00 64.21 60.63 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 -4.43 2.08 0.76 1.43 0.52 -1.26 -5.11 118.95 112.93 1ba9 s ARG 69 Ca 0.08 -0.85 -0.10 0.00 -0.52 0.00 0.00 55.73 54.34 1ba9 s ARG 69 Cb -0.01 -2.36 0.07 0.00 0.52 0.00 0.00 34.95 33.16 1ba9 s ARG 69 CO 0.39 -1.14 1.11 0.15 0.02 0.00 0.00 175.30 175.84 1ba9 s LYS 70 N -5.02 2.11 0.58 3.54 1.02 -1.26 -4.88 119.74 115.83 1ba9 s LYS 70 Ca 0.62 -0.01 -0.17 0.00 0.02 0.00 0.00 55.97 56.44 1ba9 s LYS 70 Cb -0.08 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1ba9 s LYS 70 CO 0.42 -1.42 1.06 -1.58 -0.92 0.00 0.00 175.35 172.91 1ba9 s HIS 71 N -3.44 2.93 0.00 3.18 5.65 0.65 -3.28 115.29 120.99 1ba9 s HIS 71 Ca 0.61 1.53 0.00 0.00 0.25 0.00 0.00 55.06 57.45 1ba9 s HIS 71 Cb -0.11 -3.05 0.00 0.00 -1.18 0.00 0.00 32.58 28.24 1ba9 s HIS 71 CO 0.47 -1.15 0.00 0.41 -0.65 0.00 0.00 174.74 173.82 1ba9 n GLY 72 N -0.74 0.91 3.91 1.59 0.00 -1.10 -4.33 105.19 105.43 1ba9 n GLY 72 Ca 0.09 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.81 2.06 0.59 -0.02 0.00 -1.25 -4.62 107.32 103.27 1ba9 s GLY 73 Ca 0.00 -1.82 0.29 0.00 0.00 0.00 0.00 44.72 43.20 1ba9 s GLY 73 CO 0.00 -1.64 2.22 -0.56 0.00 0.00 0.00 173.10 173.13 1ba9 h PRO 74 N 0.95 0.00 0.00 2.90 0.13 -1.91 0.27 132.00 134.35 1ba9 h PRO 74 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1ba9 h PRO 74 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ba9 h PRO 74 CO 0.55 0.00 -0.34 -0.22 -0.23 0.00 0.00 178.00 177.75 1ba9 h LYS 75 N 0.00 0.00 -7.01 0.86 3.64 -1.94 -3.47 116.57 108.65 1ba9 h LYS 75 Ca 0.02 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.91 1ba9 h LYS 75 Cb 0.10 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1ba9 h LYS 75 CO -0.00 0.00 0.14 -0.51 -2.27 0.00 0.00 179.45 176.81 1ba9 s ASP 76 N -4.65 6.06 0.06 4.20 1.01 0.08 -5.00 116.67 118.44 1ba9 s ASP 76 Ca 0.08 0.89 -0.21 0.00 0.71 0.00 0.00 52.55 54.01 1ba9 s ASP 76 Cb 0.12 -2.09 -0.12 0.00 1.01 0.00 0.00 42.92 41.83 1ba9 s ASP 76 CO 0.67 -0.74 1.48 -0.08 0.21 0.00 0.00 175.17 176.72 1ba9 h GLU 77 N 0.08 0.28 -5.39 8.23 4.22 -1.90 -3.40 114.58 116.70 1ba9 h GLU 77 Ca -0.46 -0.09 -0.61 0.00 0.08 0.00 0.00 59.36 58.27 1ba9 h GLU 77 Cb 1.22 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 1ba9 h GLU 77 CO 0.61 0.51 -0.08 -1.21 -2.18 0.00 0.00 179.01 176.67 1ba9 s GLU 78 N -4.94 4.11 -0.27 1.92 2.02 -1.26 -5.01 118.70 115.27 1ba9 s GLU 78 Ca -0.14 0.29 -0.13 0.00 0.02 0.00 0.00 54.97 55.01 1ba9 s GLU 78 Cb 0.06 -3.61 0.09 0.00 0.10 0.00 0.00 34.13 30.77 1ba9 s GLU 78 CO 0.72 -0.24 0.62 -0.98 0.02 0.00 0.00 175.26 175.41 1ba9 s ARG 79 N 1.93 0.60 1.23 1.61 1.70 -1.20 -2.69 118.95 122.13 1ba9 s ARG 79 Ca 0.21 1.23 -0.19 0.00 -0.47 0.00 0.00 55.73 56.50 1ba9 s ARG 79 Cb -0.15 0.36 0.30 0.00 -0.57 0.00 0.00 34.95 34.88 1ba9 s ARG 79 CO 0.09 -0.17 1.08 -1.01 -1.08 0.00 0.00 175.30 174.21 1ba9 s HIS 80 N 2.07 0.38 0.12 5.89 3.76 -1.25 -4.90 115.29 121.36 1ba9 s HIS 80 Ca -0.08 0.53 -0.18 0.00 -0.15 0.00 0.00 55.06 55.18 1ba9 s HIS 80 Cb -0.08 -3.37 -0.05 0.00 1.11 0.00 0.00 32.58 30.20 1ba9 s HIS 80 CO -0.18 -4.02 1.69 -0.24 -0.85 0.00 0.00 174.74 171.14 1ba9 h VAL 81 N -2.69 1.15 -1.90 -0.90 3.04 -1.90 -3.00 116.25 110.06 1ba9 h VAL 81 Ca -0.45 -0.42 -0.59 0.00 -1.01 0.00 0.00 66.70 64.22 1ba9 h VAL 81 Cb 1.30 0.90 -0.42 0.00 -2.01 0.00 0.00 31.29 31.06 1ba9 h VAL 81 CO 0.34 0.15 -0.66 0.61 -1.01 0.00 0.00 177.57 177.00 1ba9 n GLY 82 N -0.86 5.82 3.05 3.17 0.00 -1.26 -4.77 105.19 110.34 1ba9 n GLY 82 Ca -0.02 -2.78 -0.43 0.00 0.00 0.00 0.00 46.02 42.80 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 -0.37 4.99 -2.67 1.61 9.92 -1.13 -1.41 116.55 127.49 1ba9 n ASP 83 Ca 0.35 -3.04 -0.27 0.00 -0.53 0.00 0.00 54.79 51.30 1ba9 n ASP 83 Cb 0.52 -1.54 -0.07 0.00 -0.64 0.00 0.00 41.12 39.40 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 4.83 6.76 0.00 0.64 4.77 -1.15 -3.70 117.00 129.14 1ba9 n LEU 84 Ca 0.41 -4.05 0.00 0.00 -0.03 0.00 0.00 56.01 52.34 1ba9 n LEU 84 Cb 0.39 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 1ba9 n LEU 84 CO 0.77 1.83 0.00 0.61 -1.33 0.00 0.00 177.39 179.28 1ba9 n GLY 85 N 1.78 0.56 3.36 -0.72 0.00 -1.26 -4.50 105.19 104.42 1ba9 n GLY 85 Ca 0.54 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.66 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 -1.32 0.12 0.45 1.61 2.20 -1.26 -0.94 114.94 115.80 1ba9 s ASN 86 Ca 0.00 -1.22 0.04 0.00 -0.94 0.00 0.00 52.86 50.74 1ba9 s ASN 86 Cb 0.00 0.47 -0.05 0.00 -2.00 0.00 0.00 41.25 39.68 1ba9 s ASN 86 CO 0.00 -0.98 0.01 0.68 -2.94 0.00 0.00 177.10 173.87 1ba9 s VAL 87 N -4.05 1.56 -0.19 3.54 -7.23 0.16 -4.87 120.40 109.33 1ba9 s VAL 87 Ca 0.32 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.51 1ba9 s VAL 87 Cb 0.04 -2.61 0.02 0.00 0.56 0.00 0.00 36.38 34.40 1ba9 s VAL 87 CO 0.12 0.00 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.83 1ba9 s THR 88 N -2.82 2.04 0.17 5.32 2.01 -1.26 -0.42 115.64 120.67 1ba9 s THR 88 Ca 0.22 -0.99 -0.26 0.00 0.31 0.00 0.00 61.69 60.97 1ba9 s THR 88 Cb 0.06 -1.88 -0.08 0.00 0.01 0.00 0.00 72.50 70.62 1ba9 s THR 88 CO 0.11 0.48 0.79 0.00 -0.69 0.00 0.00 174.62 175.31 1ba9 s ALA 89 N 1.29 3.44 1.05 7.40 0.00 0.20 -4.20 121.76 130.94 1ba9 s ALA 89 Ca 0.04 0.38 -0.14 0.00 0.00 0.00 0.00 51.96 52.23 1ba9 s ALA 89 Cb -0.14 -2.98 0.22 0.00 0.00 0.00 0.00 23.12 20.22 1ba9 s ALA 89 CO -0.12 0.28 1.10 -0.51 0.00 0.00 0.00 175.76 176.51 1ba9 s ASP 90 N -1.10 2.17 0.57 0.00 1.01 0.49 -1.34 116.67 118.47 1ba9 s ASP 90 Ca 0.36 1.00 0.29 0.00 0.71 0.00 0.00 52.55 54.90 1ba9 s ASP 90 Cb -0.23 -1.54 1.48 0.00 1.01 0.00 0.00 42.92 43.64 1ba9 s ASP 90 CO 0.27 -3.39 1.93 0.07 0.21 0.00 0.00 175.17 174.25 1ba9 h LYS 91 N -2.07 0.00 -0.00 8.23 2.10 -1.95 0.70 116.57 123.57 1ba9 h LYS 91 Ca -0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 1ba9 h LYS 91 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1ba9 h LYS 91 CO 0.52 0.00 -0.28 -3.47 -2.00 0.00 0.00 179.45 174.22 1ba9 n ASP 92 N -3.88 0.58 -0.05 7.07 2.03 -1.26 -4.78 116.55 116.25 1ba9 n ASP 92 Ca 0.09 -0.41 -0.00 0.00 0.52 0.00 0.00 54.79 54.99 1ba9 n ASP 92 Cb 0.67 0.05 -0.00 0.00 -0.72 0.00 0.00 41.12 41.12 1ba9 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ba9 n GLY 93 N 1.40 0.35 3.40 0.27 0.00 0.24 -4.74 105.19 106.11 1ba9 n GLY 93 Ca 0.10 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.02 3.47 -0.37 1.61 1.01 -1.26 -0.91 120.40 121.94 1ba9 s VAL 94 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1ba9 s VAL 94 Cb 0.00 -2.52 0.08 0.00 0.00 0.00 0.00 36.38 33.94 1ba9 s VAL 94 CO 0.00 0.48 0.13 0.00 0.00 0.00 0.00 175.10 175.71 1ba9 s ALA 95 N 0.71 3.03 -0.04 5.51 0.00 -1.24 -0.38 121.76 129.35 1ba9 s ALA 95 Ca -0.03 -2.20 -0.27 0.00 0.00 0.00 0.00 51.96 49.46 1ba9 s ALA 95 Cb -0.15 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.70 1ba9 s ALA 95 CO 0.02 -1.58 0.86 -0.51 0.00 0.00 0.00 175.76 174.55 1ba9 s ASP 96 N 1.59 7.18 0.13 0.00 1.01 -1.26 -0.93 116.67 124.40 1ba9 s ASP 96 Ca 0.03 1.43 0.05 0.00 0.71 0.00 0.00 52.55 54.77 1ba9 s ASP 96 Cb -0.21 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 1ba9 s ASP 96 CO -0.02 -0.22 0.05 -0.69 0.21 0.00 0.00 175.17 174.50 1ba9 s VAL 97 N 1.04 4.15 -0.40 -1.27 1.01 0.13 -4.72 120.40 120.34 1ba9 s VAL 97 Ca 0.45 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1ba9 s VAL 97 Cb -0.19 -3.05 0.20 0.00 0.00 0.00 0.00 36.38 33.34 1ba9 s VAL 97 CO 0.23 -0.01 0.96 -0.94 0.00 0.00 0.00 175.10 175.34 1ba9 s SER 98 N -2.73 -0.70 0.29 3.32 1.04 -1.23 -2.42 113.70 111.28 1ba9 s SER 98 Ca 0.28 -0.77 0.02 0.00 0.48 0.00 0.00 55.95 55.96 1ba9 s SER 98 Cb -0.11 0.91 -0.05 0.00 0.10 0.00 0.00 66.02 66.87 1ba9 s SER 98 CO 0.20 -0.03 0.10 -0.51 0.98 0.00 0.00 173.24 173.98 1ba9 s ILE 99 N 1.06 0.71 0.04 -1.02 2.07 0.17 -5.01 121.20 119.23 1ba9 s ILE 99 Ca 0.24 -2.00 0.02 0.00 -1.41 0.00 0.00 60.65 57.51 1ba9 s ILE 99 Cb 0.07 -2.65 -0.02 0.00 0.13 0.00 0.00 42.46 39.99 1ba9 s ILE 99 CO -0.09 0.00 -0.08 -1.61 -1.91 0.00 0.00 174.94 171.25 1ba9 s GLU 100 N -3.95 0.55 0.05 3.50 8.01 -1.26 -0.24 118.70 125.36 1ba9 s GLU 100 Ca 0.36 -0.74 0.01 0.00 0.01 0.00 0.00 54.97 54.62 1ba9 s GLU 100 Cb 0.07 -0.36 -0.03 0.00 -4.31 0.00 0.00 34.13 29.51 1ba9 s GLU 100 CO 0.15 0.07 -0.06 -0.51 0.01 0.00 0.00 175.26 174.91 1ba9 s ASP 101 N -1.49 0.77 -0.22 -0.19 1.11 -0.65 -4.96 116.67 111.04 1ba9 s ASP 101 Ca -0.08 -0.66 0.12 0.00 0.18 0.00 0.00 52.55 52.11 1ba9 s ASP 101 Cb -0.09 0.07 0.44 0.00 1.07 0.00 0.00 42.92 44.41 1ba9 s ASP 101 CO 0.01 -0.30 1.33 -1.20 1.18 0.00 0.00 175.17 176.18 1ba9 n SER 102 N 1.10 2.40 0.07 0.27 7.64 -1.26 -0.27 113.62 123.58 1ba9 n SER 102 Ca -0.20 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.09 1ba9 n SER 102 Cb 0.56 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1ba9 n SER 102 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1ba9 n VAL 103 N -1.10 0.67 -1.93 0.44 3.14 -1.26 -5.00 118.33 113.29 1ba9 n VAL 103 Ca 0.24 0.22 -0.34 0.00 -2.96 0.00 0.00 64.34 61.50 1ba9 n VAL 103 Cb 0.84 -1.19 0.03 0.00 -1.06 0.00 0.00 33.84 32.47 1ba9 n VAL 103 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 1ba9 s ILE 104 N -2.00 3.06 0.21 1.55 -5.25 -1.26 -4.72 121.20 112.79 1ba9 s ILE 104 Ca 0.00 0.57 -0.23 0.00 -0.99 0.00 0.00 60.65 60.00 1ba9 s ILE 104 Cb 0.00 -3.14 0.04 0.00 2.95 0.00 0.00 42.46 42.32 1ba9 s ILE 104 CO 0.00 -0.23 0.82 -0.44 -1.79 0.00 0.00 174.94 173.30 1ba9 s SER 105 N -2.14 -0.24 -0.30 4.36 0.01 -1.26 -4.67 113.70 109.45 1ba9 s SER 105 Ca 0.71 -0.48 0.10 0.00 1.31 0.00 0.00 55.95 57.59 1ba9 s SER 105 Cb -0.24 0.61 0.65 0.00 0.21 0.00 0.00 66.02 67.25 1ba9 s SER 105 CO 0.36 -1.12 1.68 0.18 0.41 0.00 0.00 173.24 174.75 1ba9 n LEU 106 N -0.46 5.35 -4.66 2.44 4.32 -1.26 -0.61 117.00 122.12 1ba9 n LEU 106 Ca -0.06 -3.34 -0.26 0.00 -0.02 0.00 0.00 56.01 52.33 1ba9 n LEU 106 Cb 0.60 -0.70 -0.08 0.00 -1.62 0.00 0.00 43.42 41.63 1ba9 n LEU 106 CO 0.14 0.90 -0.33 -0.94 -1.22 0.00 0.00 177.39 175.94 1ba9 s SER 107 N -1.55 4.76 0.07 -1.43 1.04 -1.26 -3.81 113.70 111.52 1ba9 s SER 107 Ca 0.51 -0.40 -0.08 0.00 0.48 0.00 0.00 55.95 56.45 1ba9 s SER 107 Cb 0.42 -1.01 0.04 0.00 0.10 0.00 0.00 66.02 65.57 1ba9 s SER 107 CO 0.10 0.09 0.55 0.61 0.98 0.00 0.00 173.24 175.56 1ba9 n GLY 108 N -0.14 -0.81 0.00 7.32 0.00 -1.26 0.38 105.19 110.68 1ba9 n GLY 108 Ca -0.10 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1ba9 n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ba9 n ASP 109 N -4.49 0.00 -0.20 1.61 9.92 -1.26 -3.19 116.55 118.94 1ba9 n ASP 109 Ca 0.02 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.31 1ba9 n ASP 109 Cb 0.12 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 40.67 1ba9 n ASP 109 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1ba9 n HIS 110 N -0.16 0.16 0.00 1.24 8.25 -0.95 -5.06 115.22 118.69 1ba9 n HIS 110 Ca 0.00 -0.59 0.00 0.00 -0.26 0.00 0.00 57.72 56.87 1ba9 n HIS 110 Cb 0.00 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.04 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 -0.41 0.00 0.01 0.41 2.88 0.16 -4.38 113.62 112.29 1ba9 n SER 111 Ca 0.06 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.67 1ba9 n SER 111 Cb 0.38 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 64.14 1ba9 n SER 111 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1ba9 n ILE 112 N 0.00 1.07 -1.70 2.46 -5.35 0.22 -4.68 119.36 111.37 1ba9 n ILE 112 Ca 0.00 0.27 -0.43 0.00 -0.27 0.00 0.00 62.75 62.32 1ba9 n ILE 112 Cb 0.00 -1.05 -0.03 0.00 -1.74 0.00 0.00 39.64 36.82 1ba9 n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1ba9 n ILE 113 N -1.54 0.08 0.00 7.28 2.08 -1.26 -1.08 119.36 124.92 1ba9 n ILE 113 Ca 0.03 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1ba9 n ILE 113 Cb 0.16 -1.82 0.00 0.00 -0.75 0.00 0.00 39.64 37.23 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 3.64 3.37 3.87 7.39 0.00 0.02 -5.02 105.19 118.45 1ba9 n GLY 114 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.76 2.70 -0.32 1.61 3.00 -0.24 -2.81 118.95 122.13 1ba9 s ARG 115 Ca 0.00 0.50 0.01 0.00 0.00 0.00 0.00 55.73 56.24 1ba9 s ARG 115 Cb 0.00 -2.00 0.08 0.00 0.00 0.00 0.00 34.95 33.03 1ba9 s ARG 115 CO 0.00 -1.16 0.02 0.99 0.00 0.00 0.00 175.30 175.16 1ba9 s THR 116 N -3.32 2.58 -1.26 0.02 2.01 -1.25 0.09 115.64 114.50 1ba9 s THR 116 Ca 0.59 -1.90 -0.11 0.00 0.31 0.00 0.00 61.69 60.58 1ba9 s THR 116 Cb -0.12 -2.69 0.17 0.00 0.01 0.00 0.00 72.50 69.87 1ba9 s THR 116 CO 0.52 -0.36 1.76 -0.11 -0.69 0.00 0.00 174.62 175.74 1ba9 n LEU 117 N 4.44 6.25 -4.78 4.42 7.94 0.44 -0.77 117.00 134.94 1ba9 n LEU 117 Ca -0.06 -4.59 -0.37 0.00 -1.11 0.00 0.00 56.01 49.88 1ba9 n LEU 117 Cb 0.42 -1.52 -0.04 0.00 0.53 0.00 0.00 43.42 42.82 1ba9 n LEU 117 CO 0.25 1.19 0.77 -0.69 -1.11 0.00 0.00 177.39 177.79 1ba9 s VAL 118 N 0.73 3.56 0.13 1.96 1.01 -0.59 -4.31 120.40 122.89 1ba9 s VAL 118 Ca 0.41 1.27 0.03 0.00 0.00 0.00 0.00 61.98 63.69 1ba9 s VAL 118 Cb 0.06 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1ba9 s VAL 118 CO 0.00 0.08 0.18 0.54 0.00 0.00 0.00 175.10 175.90 1ba9 s VAL 119 N -1.53 4.88 0.26 2.92 0.11 -0.38 -2.24 120.40 124.42 1ba9 s VAL 119 Ca 0.56 -0.80 0.10 0.00 -2.93 0.00 0.00 61.98 58.92 1ba9 s VAL 119 Cb -0.25 -3.45 -0.05 0.00 -1.53 0.00 0.00 36.38 31.10 1ba9 s VAL 119 CO 0.32 -0.02 -0.10 -1.00 -3.33 0.00 0.00 175.10 170.97 1ba9 s HIS 120 N -1.64 2.52 0.02 1.54 3.76 0.48 -2.63 115.29 119.34 1ba9 s HIS 120 Ca 0.32 -0.27 -0.13 0.00 -0.15 0.00 0.00 55.06 54.84 1ba9 s HIS 120 Cb -0.11 -1.13 -0.07 0.00 1.11 0.00 0.00 32.58 32.38 1ba9 s HIS 120 CO 0.25 0.64 1.12 1.49 -0.85 0.00 0.00 174.74 177.39 1ba9 h GLU 121 N 2.23 -0.45 -7.38 1.40 4.81 -0.33 -3.31 114.58 111.55 1ba9 h GLU 121 Ca -0.43 0.03 -0.46 0.00 -0.13 0.00 0.00 59.36 58.37 1ba9 h GLU 121 Cb 1.24 0.10 0.10 0.00 0.63 0.00 0.00 28.75 30.83 1ba9 h GLU 121 CO 0.59 -0.30 0.24 0.15 -0.73 0.00 0.00 179.01 178.96 1ba9 s LYS 122 N -3.88 1.64 0.53 1.92 -0.14 0.10 -4.46 119.74 115.45 1ba9 s LYS 122 Ca -0.07 -0.55 -0.22 0.00 -1.36 0.00 0.00 55.97 53.77 1ba9 s LYS 122 Cb 0.01 -2.13 -0.05 0.00 -1.68 0.00 0.00 37.83 33.97 1ba9 s LYS 122 CO 0.20 -1.61 1.32 0.00 -0.76 0.00 0.00 175.35 174.51 1ba9 s ALA 123 N -3.38 2.85 -0.22 5.17 0.00 -0.86 -1.56 121.76 123.76 1ba9 s ALA 123 Ca 0.66 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 53.59 1ba9 s ALA 123 Cb -0.07 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1ba9 s ALA 123 CO 0.47 -1.24 1.58 0.34 0.00 0.00 0.00 175.76 176.90 1ba9 s ASP 124 N -1.02 6.44 0.00 0.00 -1.08 -1.26 -3.80 116.67 115.94 1ba9 s ASP 124 Ca 0.70 1.62 0.24 0.00 -0.52 0.00 0.00 52.55 54.59 1ba9 s ASP 124 Cb -0.38 -2.53 1.31 0.00 -1.46 0.00 0.00 42.92 39.85 1ba9 s ASP 124 CO 0.45 -1.21 1.79 -0.67 0.52 0.00 0.00 175.17 176.06 1ba9 n ASP 125 N 8.24 0.00 -3.94 -0.34 2.03 0.59 -4.82 116.55 118.31 1ba9 n ASP 125 Ca 0.18 -0.39 -0.32 0.00 0.52 0.00 0.00 54.79 54.78 1ba9 n ASP 125 Cb 0.45 -0.15 -0.01 0.00 -0.72 0.00 0.00 41.12 40.69 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ba9 n LEU 126 N -1.15 -1.73 0.00 -2.67 4.77 -1.26 -1.32 117.00 113.64 1ba9 n LEU 126 Ca 0.14 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1ba9 n LEU 126 Cb 0.14 -2.13 0.00 0.00 -2.33 0.00 0.00 43.42 39.10 1ba9 n LEU 126 CO 0.16 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1ba9 n GLY 127 N -1.35 0.65 0.29 -0.72 0.00 -1.24 -4.43 105.19 98.39 1ba9 n GLY 127 Ca 0.05 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.25 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ba9 h LYS 128 N 1.79 0.00 -0.15 1.61 1.57 -1.53 -0.37 116.57 119.50 1ba9 h LYS 128 Ca 0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1ba9 h LYS 128 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1ba9 h LYS 128 CO 0.00 0.00 0.12 0.78 -0.57 0.00 0.00 179.45 179.78 1ba9 h GLY 129 N 1.70 0.00 -4.35 3.86 0.00 -1.90 -3.47 103.07 98.91 1ba9 h GLY 129 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1ba9 h GLY 129 CO 0.00 0.00 -0.46 0.61 0.00 0.00 0.00 176.54 176.69 1ba9 n GLY 130 N -1.51 -0.26 3.49 4.60 0.00 -0.15 -5.06 105.19 106.31 1ba9 n GLY 130 Ca 0.01 0.20 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.19 -0.63 0.27 1.61 6.03 -1.26 -5.01 114.94 112.76 1ba9 s ASN 131 Ca 0.24 0.52 -0.01 0.00 -1.03 0.00 0.00 52.86 52.58 1ba9 s ASN 131 Cb -0.03 0.55 0.61 0.00 -3.03 0.00 0.00 41.25 39.35 1ba9 s ASN 131 CO 0.41 -0.70 1.67 -0.08 -2.03 0.00 0.00 177.10 176.37 1ba9 h GLU 132 N 2.72 0.26 0.00 3.55 4.81 -1.97 0.22 114.58 124.16 1ba9 h GLU 132 Ca -0.29 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1ba9 h GLU 132 Cb 1.19 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1ba9 h GLU 132 CO 0.39 0.17 0.00 0.94 -0.73 0.00 0.00 179.01 179.77 1ba9 n GLN 133 N -5.17 0.00 -0.11 1.92 0.00 -1.26 0.44 117.38 113.19 1ba9 n GLN 133 Ca 0.19 0.67 -0.07 0.00 -0.00 0.00 0.00 57.00 57.78 1ba9 n GLN 133 Cb 0.59 -1.40 -0.00 0.00 0.00 0.00 0.00 30.24 29.42 1ba9 n GLN 133 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1ba9 h SER 134 N 0.00 -0.92 0.06 1.69 4.64 -1.83 0.52 113.55 117.72 1ba9 h SER 134 Ca 0.00 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1ba9 h SER 134 Cb 0.00 0.45 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1ba9 h SER 134 CO 0.00 -0.29 0.00 0.41 -0.87 0.00 0.00 176.83 176.08 1ba9 n THR 135 N -5.41 0.17 -0.02 2.95 -1.04 0.75 -0.42 114.28 111.27 1ba9 n THR 135 Ca 0.01 0.04 -0.03 0.00 -2.04 0.00 0.00 64.05 62.04 1ba9 n THR 135 Cb 0.32 -0.83 -0.03 0.00 -1.82 0.00 0.00 70.33 67.97 1ba9 n THR 135 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1ba9 n LYS 136 N -1.08 1.56 0.00 -2.82 4.81 0.17 -0.25 118.16 120.56 1ba9 n LYS 136 Ca 0.09 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1ba9 n LYS 136 Cb 0.06 -1.10 0.00 0.00 0.02 0.00 0.00 35.03 34.01 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 -2.42 0.00 0.00 3.15 -2.24 0.18 -4.57 114.28 108.37 1ba9 n THR 137 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1ba9 n THR 137 Cb 0.61 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 2.77 1.86 2.23 3.38 0.00 0.44 -4.36 105.19 111.50 1ba9 n GLY 138 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1ba9 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ba9 n ASN 139 N 0.00 -3.57 0.00 1.61 3.02 -1.26 -0.30 115.26 114.76 1ba9 n ASN 139 Ca 0.00 0.24 0.14 0.00 -0.03 0.00 0.00 54.58 54.93 1ba9 n ASN 139 Cb 0.00 -3.17 0.72 0.00 -0.61 0.00 0.00 39.78 36.72 1ba9 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ba9 n ALA 140 N -1.17 2.42 -0.51 5.41 0.00 -1.25 -4.70 120.51 120.71 1ba9 n ALA 140 Ca -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1ba9 n ALA 140 Cb 0.52 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1ba9 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 141 N 1.19 -0.70 3.64 0.00 0.00 -1.26 0.02 105.19 108.08 1ba9 n GLY 141 Ca 0.13 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 1ba9 n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ba9 s SER 142 N -4.00 2.36 -0.53 1.61 0.15 -1.26 -4.51 113.70 107.52 1ba9 s SER 142 Ca 0.00 1.32 -0.18 0.00 0.70 0.00 0.00 55.95 57.80 1ba9 s SER 142 Cb 0.00 -2.01 0.08 0.00 -1.71 0.00 0.00 66.02 62.38 1ba9 s SER 142 CO 0.00 -3.31 0.58 -0.13 1.20 0.00 0.00 173.24 171.58 1ba9 s ARG 143 N -4.84 3.05 0.32 5.44 0.52 -1.26 -0.58 118.95 121.60 1ba9 s ARG 143 Ca 0.66 -1.23 0.00 0.00 -0.52 0.00 0.00 55.73 54.64 1ba9 s ARG 143 Cb -0.20 -4.18 0.54 0.00 0.52 0.00 0.00 34.95 31.63 1ba9 s ARG 143 CO 0.59 -1.28 1.99 -0.07 0.02 0.00 0.00 175.30 176.55 1ba9 h LEU 144 N 9.45 0.84 -7.56 2.53 -0.00 -1.77 -3.45 115.31 115.36 1ba9 h LEU 144 Ca -0.29 -0.02 -0.10 0.00 -0.00 0.00 0.00 57.88 57.47 1ba9 h LEU 144 Cb 1.10 -0.21 -0.18 0.00 -0.00 0.00 0.00 40.66 41.37 1ba9 h LEU 144 CO 0.99 0.61 -0.27 0.00 -0.00 0.00 0.00 178.44 179.77 1ba9 s ALA 145 N -5.83 -0.69 0.07 1.53 0.00 -1.24 -4.03 121.76 111.56 1ba9 s ALA 145 Ca -0.11 0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.02 1ba9 s ALA 145 Cb 0.18 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 1ba9 s ALA 145 CO 0.78 -0.35 -0.18 0.00 0.00 0.00 0.00 175.76 176.01 1ba9 s GLY 147 N -1.52 -0.44 0.37 0.00 0.00 -1.26 -0.38 107.32 104.09 1ba9 s GLY 147 Ca 0.04 2.70 -0.25 0.00 0.00 0.00 0.00 44.72 47.21 1ba9 s GLY 147 CO 0.03 2.99 1.04 0.14 0.00 0.00 0.00 173.10 177.30 1ba9 s VAL 148 N 2.40 3.74 -0.18 1.40 1.01 -1.26 -0.42 120.40 127.09 1ba9 s VAL 148 Ca -0.06 1.40 -0.15 0.00 0.00 0.00 0.00 61.98 63.18 1ba9 s VAL 148 Cb -0.08 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1ba9 s VAL 148 CO -0.18 0.07 0.35 -0.63 0.00 0.00 0.00 175.10 174.72 1ba9 s ILE 149 N -1.58 5.25 0.28 2.22 1.01 0.11 -3.97 121.20 124.51 1ba9 s ILE 149 Ca 0.55 0.64 0.02 0.00 0.00 0.00 0.00 60.65 61.86 1ba9 s ILE 149 Cb -0.23 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1ba9 s ILE 149 CO 0.29 0.31 0.25 -0.83 0.00 0.00 0.00 174.94 174.96 1ba9 s GLY 150 N 0.81 1.82 0.47 6.18 0.00 -0.10 -0.80 107.32 115.70 1ba9 s GLY 150 Ca 0.18 -1.82 -0.24 0.00 0.00 0.00 0.00 44.72 42.84 1ba9 s GLY 150 CO 0.07 -1.36 1.36 -0.42 0.00 0.00 0.00 173.10 172.75 1ba9 s ILE 151 N -3.71 2.26 -1.62 0.90 1.01 -1.26 -0.33 121.20 118.44 1ba9 s ILE 151 Ca 0.38 0.21 -0.10 0.00 0.00 0.00 0.00 60.65 61.15 1ba9 s ILE 151 Cb 0.04 -3.12 -0.08 0.00 0.01 0.00 0.00 42.46 39.30 1ba9 s ILE 151 CO 0.20 0.02 2.95 0.00 0.00 0.00 0.00 174.94 178.10 1ba9 n ALA 152 N -0.40 7.54 -1.82 9.38 0.00 -0.49 -4.39 120.51 130.33 1ba9 n ALA 152 Ca 0.07 -3.55 0.00 0.00 0.00 0.00 0.00 53.44 49.96 1ba9 n ALA 152 Cb 0.44 -3.37 0.00 0.00 0.00 0.00 0.00 19.45 16.51 1ba9 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44