#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 -3.67 0.00 -2.24 -1.26 -4.84 114.28 102.27 1ba9 n THR 2 Ca 0.00 -0.36 -0.28 0.00 -2.27 0.00 0.00 64.05 61.13 1ba9 n THR 2 Cb 0.00 -1.39 -0.16 0.00 -2.10 0.00 0.00 70.33 66.68 1ba9 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ba9 s LYS 3 N -4.38 0.48 0.12 -0.78 1.02 -1.26 -4.55 119.74 110.39 1ba9 s LYS 3 Ca 0.38 -0.61 0.05 0.00 0.02 0.00 0.00 55.97 55.81 1ba9 s LYS 3 Cb -0.02 -1.78 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 1ba9 s LYS 3 CO 0.28 -0.85 -0.11 0.00 -0.92 0.00 0.00 175.35 173.75 1ba9 s ALA 4 N 1.88 1.36 0.03 5.17 0.00 -0.59 -1.10 121.76 128.51 1ba9 s ALA 4 Ca 0.05 -1.33 -0.10 0.00 0.00 0.00 0.00 51.96 50.58 1ba9 s ALA 4 Cb -0.17 0.00 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1ba9 s ALA 4 CO -0.21 -0.02 0.21 0.54 0.00 0.00 0.00 175.76 176.29 1ba9 s VAL 5 N -2.67 0.10 -0.13 0.00 0.11 0.44 -0.54 120.40 117.71 1ba9 s VAL 5 Ca 0.11 -0.82 -0.03 0.00 -2.93 0.00 0.00 61.98 58.31 1ba9 s VAL 5 Cb -0.02 -0.85 0.05 0.00 -1.53 0.00 0.00 36.38 34.03 1ba9 s VAL 5 CO 0.01 -0.45 0.03 0.00 -3.33 0.00 0.00 175.10 171.36 1ba9 s ALA 6 N -2.37 0.76 -0.91 1.54 0.00 0.37 -0.33 121.76 120.82 1ba9 s ALA 6 Ca -0.07 -0.37 -0.24 0.00 0.00 0.00 0.00 51.96 51.29 1ba9 s ALA 6 Cb -0.02 -0.96 0.05 0.00 0.00 0.00 0.00 23.12 22.20 1ba9 s ALA 6 CO -0.03 -0.86 1.33 0.14 0.00 0.00 0.00 175.76 176.35 1ba9 s VAL 7 N 1.96 3.98 0.42 0.00 -7.23 -1.25 -0.72 120.40 117.56 1ba9 s VAL 7 Ca 0.02 -0.50 -0.26 0.00 -1.81 0.00 0.00 61.98 59.43 1ba9 s VAL 7 Cb -0.15 -4.96 -0.09 0.00 0.56 0.00 0.00 36.38 31.74 1ba9 s VAL 7 CO -0.07 -1.84 1.42 0.18 -0.31 0.00 0.00 175.10 174.48 1ba9 n LEU 8 N 8.68 4.81 -3.72 1.32 4.32 0.13 -4.61 117.00 127.93 1ba9 n LEU 8 Ca 0.21 1.15 -0.14 0.00 -0.02 0.00 0.00 56.01 57.21 1ba9 n LEU 8 Cb 0.50 -1.59 -0.09 0.00 -1.62 0.00 0.00 43.42 40.62 1ba9 n LEU 8 CO 0.66 -0.17 0.10 -0.54 -1.22 0.00 0.00 177.39 176.21 1ba9 s LYS 9 N -2.30 0.66 0.00 3.23 -0.14 -1.18 -1.25 119.74 118.76 1ba9 s LYS 9 Ca 0.59 0.09 0.00 0.00 -1.36 0.00 0.00 55.97 55.29 1ba9 s LYS 9 Cb -0.47 0.30 0.00 0.00 -1.68 0.00 0.00 37.83 35.99 1ba9 s LYS 9 CO 0.59 -0.17 0.00 0.41 -0.76 0.00 0.00 175.35 175.43 1ba9 n GLY 10 N 1.69 7.14 0.14 -3.33 0.00 0.51 -1.09 105.19 110.26 1ba9 n GLY 10 Ca -0.19 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 1ba9 n GLY 10 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ba9 h ASP 11 N 0.00 -0.30 0.00 1.61 2.03 -1.87 -3.46 116.42 114.43 1ba9 h ASP 11 Ca 0.00 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 1ba9 h ASP 11 Cb 0.00 0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 1ba9 h ASP 11 CO 0.00 -0.13 0.00 0.61 -1.03 0.00 0.00 179.24 178.69 1ba9 n GLY 12 N -1.23 1.78 0.44 7.15 0.00 -1.26 -4.95 105.19 107.12 1ba9 n GLY 12 Ca -0.04 -1.75 0.11 0.00 0.00 0.00 0.00 46.02 44.33 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 1.59 -1.54 1.61 -0.04 -1.26 -4.82 135.00 130.54 1ba9 n PRO 13 Ca 0.00 -0.88 -0.41 0.00 -0.04 0.00 0.00 63.50 62.17 1ba9 n PRO 13 Cb 0.00 -1.39 -0.05 0.00 -0.04 0.00 0.00 33.50 32.02 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 0.09 0.07 -3.91 0.52 0.31 -1.26 -4.27 118.33 109.88 1ba9 n VAL 14 Ca 0.16 -0.54 -0.09 0.00 -0.01 0.00 0.00 64.34 63.86 1ba9 n VAL 14 Cb 0.29 -2.30 -0.09 0.00 -0.91 0.00 0.00 33.84 30.83 1ba9 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ba9 s GLN 15 N 7.56 0.63 -0.20 5.55 -2.07 -1.18 -0.36 119.66 129.59 1ba9 s GLN 15 Ca 1.05 -0.77 -0.27 0.00 -1.82 0.00 0.00 55.36 53.55 1ba9 s GLN 15 Cb -0.45 0.25 0.07 0.00 -1.09 0.00 0.00 33.01 31.79 1ba9 s GLN 15 CO 0.35 -0.16 0.72 0.20 -1.32 0.00 0.00 175.29 175.08 1ba9 s GLY 16 N -2.21 -0.53 -0.82 2.60 0.00 -0.38 0.42 107.32 106.40 1ba9 s GLY 16 Ca -0.04 1.84 -0.15 0.00 0.00 0.00 0.00 44.72 46.37 1ba9 s GLY 16 CO -0.05 1.51 0.82 -0.42 0.00 0.00 0.00 173.10 174.95 1ba9 s ILE 17 N -0.12 5.38 0.49 0.90 1.09 -1.09 0.20 121.20 128.05 1ba9 s ILE 17 Ca -0.03 -2.16 -0.19 0.00 -1.10 0.00 0.00 60.65 57.16 1ba9 s ILE 17 Cb -0.03 -4.52 -0.08 0.00 -1.06 0.00 0.00 42.46 36.76 1ba9 s ILE 17 CO 0.03 -1.12 1.01 -0.63 -0.10 0.00 0.00 174.94 174.14 1ba9 s ILE 18 N 0.87 4.04 0.02 2.92 -1.09 0.10 -3.61 121.20 124.45 1ba9 s ILE 18 Ca 0.20 1.18 0.05 0.00 -2.23 0.00 0.00 60.65 59.85 1ba9 s ILE 18 Cb -0.11 -3.51 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 1ba9 s ILE 18 CO -0.08 -0.36 -0.15 0.20 -1.23 0.00 0.00 174.94 173.32 1ba9 s ASN 19 N -2.29 1.83 -0.04 3.58 -0.87 0.90 -0.48 114.94 117.58 1ba9 s ASN 19 Ca 0.64 -0.40 0.02 0.00 -1.57 0.00 0.00 52.86 51.55 1ba9 s ASN 19 Cb -0.14 -0.15 0.01 0.00 -0.02 0.00 0.00 41.25 40.95 1ba9 s ASN 19 CO 0.22 0.11 -0.07 -0.36 -2.57 0.00 0.00 177.10 174.43 1ba9 s PHE 20 N -0.66 0.88 0.06 2.20 0.40 0.30 -1.28 117.98 119.89 1ba9 s PHE 20 Ca 0.04 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 1ba9 s PHE 20 Cb -0.07 -0.69 -0.04 0.00 0.51 0.00 0.00 43.02 42.73 1ba9 s PHE 20 CO 0.01 -0.16 -0.05 -1.83 0.70 0.00 0.00 175.22 173.89 1ba9 s GLU 21 N 0.58 0.65 0.00 0.44 4.04 -0.58 -1.55 118.70 122.28 1ba9 s GLU 21 Ca -0.09 -1.11 0.00 0.00 0.04 0.00 0.00 54.97 53.81 1ba9 s GLU 21 Cb -0.12 -0.05 0.00 0.00 0.02 0.00 0.00 34.13 33.98 1ba9 s GLU 21 CO 0.01 -0.04 0.00 0.94 -1.84 0.00 0.00 175.26 174.33 1ba9 n GLN 22 N 0.47 0.00 0.00 -4.83 7.27 -1.26 -0.35 117.38 118.67 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 0.59 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.24 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 0.00 0.00 -3.74 3.69 4.81 -1.26 -4.58 118.16 117.08 1ba9 n LYS 23 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1ba9 n LYS 23 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 1ba9 n LYS 23 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1ba9 s GLU 24 N 0.00 0.51 0.32 1.64 -6.30 -1.26 -4.74 118.70 108.86 1ba9 s GLU 24 Ca 0.00 0.42 0.06 0.00 -2.50 0.00 0.00 54.97 52.94 1ba9 s GLU 24 Cb 0.00 0.24 0.86 0.00 0.00 0.00 0.00 34.13 35.24 1ba9 s GLU 24 CO 0.00 -0.08 1.54 0.43 0.02 0.00 0.00 175.26 177.17 1ba9 n SER 25 N 2.55 -0.03 -1.77 -1.70 7.64 -1.26 -0.26 113.62 118.80 1ba9 n SER 25 Ca -0.15 1.66 -0.19 0.00 1.01 0.00 0.00 58.87 61.21 1ba9 n SER 25 Cb 0.57 -0.65 0.08 0.00 -1.01 0.00 0.00 64.21 63.20 1ba9 n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ba9 n ASN 26 N -5.42 4.55 -4.92 6.43 4.13 -1.26 -4.80 115.26 113.98 1ba9 n ASN 26 Ca 0.26 -3.78 -0.21 0.00 1.68 0.00 0.00 54.58 52.53 1ba9 n ASN 26 Cb 0.86 -0.49 -0.02 0.00 -1.54 0.00 0.00 39.78 38.58 1ba9 n ASN 26 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1ba9 s GLY 27 N -3.17 1.53 0.33 7.41 0.00 0.64 -5.09 107.32 108.97 1ba9 s GLY 27 Ca 0.50 -1.46 -0.29 0.00 0.00 0.00 0.00 44.72 43.48 1ba9 s GLY 27 CO 0.01 -1.42 1.40 2.56 0.00 0.00 0.00 173.10 175.65 1ba9 s PRO 28 N -4.02 4.26 0.12 2.90 0.04 -1.26 -4.76 135.00 132.27 1ba9 s PRO 28 Ca 0.39 2.35 -0.27 0.00 0.04 0.00 0.00 61.00 63.52 1ba9 s PRO 28 Cb -0.08 -3.05 -0.07 0.00 0.04 0.00 0.00 34.50 31.35 1ba9 s PRO 28 CO 0.28 -0.36 0.83 0.08 0.04 0.00 0.00 177.00 177.87 1ba9 s VAL 29 N -0.84 4.50 -0.23 -0.36 1.01 0.39 -4.50 120.40 120.37 1ba9 s VAL 29 Ca 0.53 1.79 -0.11 0.00 0.00 0.00 0.00 61.98 64.19 1ba9 s VAL 29 Cb -0.42 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 1ba9 s VAL 29 CO 0.54 0.42 0.16 -0.54 0.00 0.00 0.00 175.10 175.68 1ba9 s LYS 30 N -0.51 4.11 -0.05 2.72 1.02 0.52 -0.39 119.74 127.16 1ba9 s LYS 30 Ca 0.40 -0.24 0.06 0.00 0.02 0.00 0.00 55.97 56.20 1ba9 s LYS 30 Cb -0.22 -3.51 -0.01 0.00 -0.52 0.00 0.00 37.83 33.57 1ba9 s LYS 30 CO 0.26 0.12 -0.23 0.54 -0.92 0.00 0.00 175.35 175.12 1ba9 s VAL 31 N 0.88 1.90 0.23 3.17 0.11 0.15 -1.52 120.40 125.33 1ba9 s VAL 31 Ca 0.08 -0.99 -0.21 0.00 -2.93 0.00 0.00 61.98 57.93 1ba9 s VAL 31 Cb -0.13 -1.61 0.04 0.00 -1.53 0.00 0.00 36.38 33.15 1ba9 s VAL 31 CO 0.03 0.53 0.66 -1.66 -3.33 0.00 0.00 175.10 171.33 1ba9 s TRP 32 N -0.16 -0.30 -1.06 1.54 -2.14 -0.40 -0.53 118.94 115.89 1ba9 s TRP 32 Ca -0.02 -0.06 0.00 0.00 2.66 0.00 0.00 56.10 58.68 1ba9 s TRP 32 Cb -0.13 0.63 0.00 0.00 -3.10 0.00 0.00 33.47 30.87 1ba9 s TRP 32 CO 0.03 -1.08 0.00 0.41 -2.66 0.00 0.00 176.95 173.65 1ba9 n GLY 33 N -0.42 -1.08 3.32 3.67 0.00 -0.13 -0.07 105.19 110.49 1ba9 n GLY 33 Ca -0.09 -0.84 0.03 0.00 0.00 0.00 0.00 46.02 45.11 1ba9 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ba9 s SER 34 N -4.00 -0.98 0.86 1.61 1.04 -1.24 -0.68 113.70 110.31 1ba9 s SER 34 Ca 0.00 0.91 -0.12 0.00 0.48 0.00 0.00 55.95 57.22 1ba9 s SER 34 Cb 0.00 1.94 0.11 0.00 0.10 0.00 0.00 66.02 68.17 1ba9 s SER 34 CO 0.00 -0.18 1.16 -0.51 0.98 0.00 0.00 173.24 174.69 1ba9 s ILE 35 N 2.80 2.00 -0.38 -1.02 2.07 -0.25 -2.66 121.20 123.75 1ba9 s ILE 35 Ca 0.05 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.35 1ba9 s ILE 35 Cb -0.11 -2.88 0.17 0.00 0.13 0.00 0.00 42.46 39.76 1ba9 s ILE 35 CO -0.18 0.00 0.50 -0.54 -1.91 0.00 0.00 174.94 172.81 1ba9 s LYS 36 N -5.44 0.71 0.00 3.50 1.02 0.17 -4.09 119.74 115.60 1ba9 s LYS 36 Ca 0.63 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 56.12 1ba9 s LYS 36 Cb -0.13 -0.30 0.00 0.00 -0.52 0.00 0.00 37.83 36.88 1ba9 s LYS 36 CO 0.51 -1.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.17 1ba9 n GLY 37 N 4.41 0.34 3.58 -3.33 0.00 -0.30 -3.10 105.19 106.79 1ba9 n GLY 37 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1ba9 n GLY 37 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ba9 s LEU 38 N 0.00 1.00 0.24 0.99 2.96 -1.03 -4.37 118.68 118.47 1ba9 s LEU 38 Ca 0.00 1.18 -0.07 0.00 -0.22 0.00 0.00 54.13 55.02 1ba9 s LEU 38 Cb 0.00 -3.15 -0.06 0.00 0.50 0.00 0.00 46.19 43.48 1ba9 s LEU 38 CO 0.00 -3.79 0.52 0.42 -1.32 0.00 0.00 176.35 172.19 1ba9 s THR 39 N -2.77 5.00 0.74 3.68 -4.23 -1.26 -4.14 115.64 112.66 1ba9 s THR 39 Ca 0.67 0.26 -0.16 0.00 -1.18 0.00 0.00 61.69 61.28 1ba9 s THR 39 Cb -0.19 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 1ba9 s THR 39 CO 0.60 -0.14 0.52 -1.84 -0.54 0.00 0.00 174.62 173.22 1ba9 n GLU 40 N -0.38 0.26 0.00 3.99 0.00 -1.26 -4.59 120.64 118.67 1ba9 n GLU 40 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.28 1ba9 n GLU 40 Cb 0.53 -1.83 0.00 0.00 0.00 0.00 0.00 31.44 30.14 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 1.64 -1.92 3.79 -1.84 0.00 -0.86 -4.83 105.19 101.17 1ba9 n GLY 41 Ca 0.10 -2.08 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 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 4.45 -0.05 0.99 1.02 -1.26 -0.54 118.68 123.29 1ba9 s LEU 42 Ca 0.00 1.62 -0.00 0.00 0.02 0.00 0.00 54.13 55.77 1ba9 s LEU 42 Cb 0.00 -3.57 0.03 0.00 0.02 0.00 0.00 46.19 42.67 1ba9 s LEU 42 CO 0.00 0.08 -0.01 -1.00 0.02 0.00 0.00 176.35 175.44 1ba9 s HIS 43 N -1.38 0.53 -0.10 0.29 3.76 0.25 -0.83 115.29 117.80 1ba9 s HIS 43 Ca 0.42 -0.10 -0.30 0.00 -0.15 0.00 0.00 55.06 54.93 1ba9 s HIS 43 Cb -0.20 -0.60 -0.02 0.00 1.11 0.00 0.00 32.58 32.87 1ba9 s HIS 43 CO 0.24 -0.21 1.15 0.20 -0.85 0.00 0.00 174.74 175.27 1ba9 s GLY 44 N 1.32 2.06 -0.18 -2.22 0.00 0.31 -0.49 107.32 108.12 1ba9 s GLY 44 Ca -0.05 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.17 1ba9 s GLY 44 CO -0.02 2.18 -0.18 -0.12 0.00 0.00 0.00 173.10 174.96 1ba9 s PHE 45 N 2.45 2.80 0.07 1.90 2.19 0.44 -2.87 117.98 124.96 1ba9 s PHE 45 Ca 0.53 -1.50 -0.09 0.00 0.33 0.00 0.00 56.93 56.19 1ba9 s PHE 45 Cb -0.22 -1.94 0.00 0.00 -1.31 0.00 0.00 43.02 39.55 1ba9 s PHE 45 CO 0.18 -0.75 0.20 -1.01 1.83 0.00 0.00 175.22 175.67 1ba9 s HIS 46 N 1.27 0.10 -0.46 10.12 3.76 0.14 -1.80 115.29 128.43 1ba9 s HIS 46 Ca 0.04 -0.43 -0.24 0.00 -0.15 0.00 0.00 55.06 54.28 1ba9 s HIS 46 Cb -0.13 -0.04 0.03 0.00 1.11 0.00 0.00 32.58 33.54 1ba9 s HIS 46 CO -0.10 -0.49 0.84 0.08 -0.85 0.00 0.00 174.74 174.21 1ba9 s VAL 47 N -3.25 4.58 0.72 -0.90 1.01 -0.11 -0.63 120.40 121.82 1ba9 s VAL 47 Ca 0.00 0.54 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 1ba9 s VAL 47 Cb 0.02 -4.37 0.02 0.00 0.00 0.00 0.00 36.38 32.06 1ba9 s VAL 47 CO -0.08 -0.77 1.08 -1.00 0.00 0.00 0.00 175.10 174.33 1ba9 s HIS 48 N 3.48 3.14 0.00 5.22 3.76 0.57 -1.98 115.29 129.48 1ba9 s HIS 48 Ca 0.33 1.22 0.00 0.00 -0.15 0.00 0.00 55.06 56.45 1ba9 s HIS 48 Cb -0.11 -2.99 0.00 0.00 1.11 0.00 0.00 32.58 30.59 1ba9 s HIS 48 CO 0.24 -1.34 0.00 -0.85 -0.85 0.00 0.00 174.74 171.94 1ba9 n GLU 49 N -3.15 3.10 0.00 1.40 0.28 -0.71 -3.81 120.64 117.74 1ba9 n GLU 49 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 1ba9 n GLU 49 Cb 0.55 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.42 1ba9 n GLU 49 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1ba9 n GLU 50 N 0.00 0.00 0.00 3.44 1.02 -1.26 -4.34 120.64 119.50 1ba9 n GLU 50 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ba9 n GLU 50 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1ba9 n GLU 50 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ba9 n GLU 51 N 0.00 0.00 -3.37 3.49 1.02 -1.26 -4.22 120.64 116.30 1ba9 n GLU 51 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 1ba9 n GLU 51 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1ba9 n GLU 51 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ba9 n ASP 52 N 3.20 5.13 0.05 1.62 2.03 -1.26 -4.45 116.55 122.87 1ba9 n ASP 52 Ca 0.00 -3.19 0.00 0.00 0.52 0.00 0.00 54.79 52.12 1ba9 n ASP 52 Cb 0.00 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.22 1ba9 n ASP 52 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1ba9 n ASN 53 N 2.07 -0.91 -2.69 1.67 2.85 -1.26 -5.00 115.26 111.99 1ba9 n ASN 53 Ca 0.24 0.22 -0.22 0.00 -0.11 0.00 0.00 54.58 54.71 1ba9 n ASN 53 Cb 0.37 1.17 -0.08 0.00 1.24 0.00 0.00 39.78 42.48 1ba9 n ASN 53 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1ba9 n THR 54 N -2.66 3.15 -0.29 -0.44 5.66 -1.26 -4.68 114.28 113.77 1ba9 n THR 54 Ca 0.00 -1.76 0.09 0.00 -3.05 0.00 0.00 64.05 59.33 1ba9 n THR 54 Cb 0.00 -2.20 0.25 0.00 -1.55 0.00 0.00 70.33 66.83 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 4.47 1.28 -3.00 1.79 0.00 -1.94 -3.34 119.26 118.52 1ba9 h ALA 55 Ca 0.47 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1ba9 h ALA 55 Cb 0.75 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ba9 h ALA 55 CO 1.00 -0.25 0.00 0.41 0.00 0.00 0.00 179.25 180.41 1ba9 n GLY 56 N -1.33 1.35 1.16 0.00 0.00 -1.26 -5.01 105.19 100.10 1ba9 n GLY 56 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.18 0.00 -0.00 0.00 -1.04 -1.26 -4.13 114.28 107.66 1ba9 n THR 58 Ca -0.25 0.86 -0.11 0.00 -2.04 0.00 0.00 64.05 62.51 1ba9 n THR 58 Cb 0.69 -1.77 -0.05 0.00 -1.82 0.00 0.00 70.33 67.37 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 0.12 -6.67 8.00 0.02 -1.93 -3.47 113.55 109.61 1ba9 h SER 59 Ca 0.00 -0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 1ba9 h SER 59 Cb 0.00 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1ba9 h SER 59 CO 0.00 0.08 -0.97 0.00 -1.14 0.00 0.00 176.83 174.80 1ba9 n ALA 60 N -2.12 -2.45 -0.94 3.77 0.00 -1.26 -4.90 120.51 112.62 1ba9 n ALA 60 Ca -0.05 -0.42 -0.34 0.00 0.00 0.00 0.00 53.44 52.64 1ba9 n ALA 60 Cb 0.03 -2.75 0.12 0.00 0.00 0.00 0.00 19.45 16.84 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 -2.01 -1.43 1.48 0.00 0.00 -1.26 -4.97 105.19 97.01 1ba9 n GLY 61 Ca -0.16 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 1ba9 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ba9 n PRO 62 N -1.98 -1.53 -1.66 1.61 -0.04 -1.26 -4.16 135.00 125.98 1ba9 n PRO 62 Ca 0.09 -0.75 -0.50 0.00 -0.04 0.00 0.00 63.50 62.30 1ba9 n PRO 62 Cb 0.52 -0.64 -0.05 0.00 -0.04 0.00 0.00 33.50 33.28 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 -3.29 2.07 -2.13 0.54 8.25 -1.26 -1.74 115.22 117.66 1ba9 n HIS 63 Ca 0.06 0.33 -0.43 0.00 -0.26 0.00 0.00 57.72 57.43 1ba9 n HIS 63 Cb 0.24 -2.51 -0.03 0.00 1.12 0.00 0.00 29.99 28.82 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 2.06 2.19 -0.43 4.41 5.36 -0.84 -4.75 117.98 125.98 1ba9 s PHE 64 Ca 0.87 0.52 0.09 0.00 -0.96 0.00 0.00 56.93 57.46 1ba9 s PHE 64 Cb -0.82 -3.90 0.41 0.00 -0.34 0.00 0.00 43.02 38.37 1ba9 s PHE 64 CO 0.48 -2.98 0.99 0.27 -1.46 0.00 0.00 175.22 172.53 1ba9 n ASN 65 N 7.84 3.36 0.28 6.13 6.94 -1.26 -2.79 115.26 135.76 1ba9 n ASN 65 Ca 0.18 -3.37 0.14 0.00 -0.02 0.00 0.00 54.58 51.51 1ba9 n ASN 65 Cb 0.45 -0.52 0.79 0.00 -2.36 0.00 0.00 39.78 38.14 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 2.82 0.00 0.00 -0.53 0.13 -1.91 0.18 132.00 132.69 1ba9 h PRO 66 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ba9 h PRO 66 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1ba9 h PRO 66 CO 0.71 0.08 -0.12 -0.11 -0.23 0.00 0.00 178.00 178.34 1ba9 n LEU 67 N -3.56 0.60 -2.86 1.56 0.00 -1.26 -4.98 117.00 106.50 1ba9 n LEU 67 Ca -0.02 0.48 -0.10 0.00 0.00 0.00 0.00 56.01 56.38 1ba9 n LEU 67 Cb 0.21 -0.34 0.04 0.00 0.00 0.00 0.00 43.42 43.34 1ba9 n LEU 67 CO 0.28 -0.11 0.07 -1.20 0.00 0.00 0.00 177.39 176.44 1ba9 n SER 68 N -2.03 -5.86 -4.32 1.96 7.64 0.63 -5.06 113.62 106.57 1ba9 n SER 68 Ca 0.06 -0.47 -0.17 0.00 1.01 0.00 0.00 58.87 59.30 1ba9 n SER 68 Cb 0.41 -4.27 -0.10 0.00 -1.01 0.00 0.00 64.21 59.23 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 -3.89 1.31 0.81 1.43 0.52 -1.26 -5.10 118.95 112.77 1ba9 s ARG 69 Ca 0.30 -1.65 -0.12 0.00 -0.52 0.00 0.00 55.73 53.73 1ba9 s ARG 69 Cb -0.04 -0.64 0.08 0.00 0.52 0.00 0.00 34.95 34.88 1ba9 s ARG 69 CO 0.59 -0.07 1.17 0.15 0.02 0.00 0.00 175.30 177.16 1ba9 s LYS 70 N -3.84 1.97 0.61 3.54 3.01 -1.26 -4.04 119.74 119.72 1ba9 s LYS 70 Ca 0.27 0.13 -0.19 0.00 -1.01 0.00 0.00 55.97 55.17 1ba9 s LYS 70 Cb 0.05 -1.95 -0.03 0.00 -1.01 0.00 0.00 37.83 34.90 1ba9 s LYS 70 CO 0.08 -1.60 1.28 1.58 0.51 0.00 0.00 175.35 177.20 1ba9 n HIS 71 N -3.32 1.92 -1.92 3.18 -0.00 -0.33 -1.83 115.22 112.93 1ba9 n HIS 71 Ca 0.08 0.43 0.00 0.00 -0.00 0.00 0.00 57.72 58.22 1ba9 n HIS 71 Cb 0.61 -2.28 0.00 0.00 -0.00 0.00 0.00 29.99 28.31 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 0.91 1.25 3.58 1.57 0.00 -1.22 -4.09 105.19 107.19 1ba9 n GLY 72 Ca 0.14 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.04 1.22 0.53 -0.02 0.00 -1.14 -4.66 107.32 103.21 1ba9 s GLY 73 Ca 0.00 -1.33 0.22 0.00 0.00 0.00 0.00 44.72 43.61 1ba9 s GLY 73 CO 0.00 -0.82 2.15 -0.56 0.00 0.00 0.00 173.10 173.88 1ba9 h PRO 74 N 2.06 0.00 0.00 2.90 0.13 -1.89 0.38 132.00 135.58 1ba9 h PRO 74 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1ba9 h PRO 74 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ba9 h PRO 74 CO 0.39 0.05 0.00 0.36 -0.23 0.00 0.00 178.00 178.57 1ba9 n LYS 75 N -4.13 0.02 -4.45 0.86 2.85 -1.26 -4.79 118.16 107.26 1ba9 n LYS 75 Ca -0.03 0.21 -0.24 0.00 -1.05 0.00 0.00 58.31 57.19 1ba9 n LYS 75 Cb 0.13 -1.54 -0.10 0.00 -0.65 0.00 0.00 35.03 32.88 1ba9 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ba9 s ASP 76 N -3.14 3.82 0.14 -5.58 1.01 0.12 -5.06 116.67 107.98 1ba9 s ASP 76 Ca 0.08 -1.02 0.05 0.00 0.71 0.00 0.00 52.55 52.38 1ba9 s ASP 76 Cb 0.12 -0.41 -0.12 0.00 1.01 0.00 0.00 42.92 43.52 1ba9 s ASP 76 CO 0.34 -0.06 1.32 -0.08 0.21 0.00 0.00 175.17 176.90 1ba9 h GLU 77 N 2.10 0.07 -5.91 8.23 4.81 -1.87 -3.43 114.58 118.58 1ba9 h GLU 77 Ca -0.41 -0.09 -0.58 0.00 -0.13 0.00 0.00 59.36 58.14 1ba9 h GLU 77 Cb 1.26 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.60 1ba9 h GLU 77 CO 0.64 0.97 -0.12 -1.21 -0.73 0.00 0.00 179.01 178.56 1ba9 s GLU 78 N -2.89 4.23 -0.28 1.92 2.02 -1.26 -5.04 118.70 117.39 1ba9 s GLU 78 Ca -0.01 0.52 -0.25 0.00 0.02 0.00 0.00 54.97 55.26 1ba9 s GLU 78 Cb 0.10 -3.35 0.13 0.00 0.10 0.00 0.00 34.13 31.11 1ba9 s GLU 78 CO 0.82 0.36 1.08 -0.98 0.02 0.00 0.00 175.26 176.56 1ba9 s ARG 79 N -0.08 0.46 0.00 1.61 3.03 -1.04 -2.88 118.95 120.05 1ba9 s ARG 79 Ca 0.27 0.54 0.00 0.00 2.03 0.00 0.00 55.73 58.57 1ba9 s ARG 79 Cb -0.16 0.22 0.00 0.00 -1.03 0.00 0.00 34.95 33.98 1ba9 s ARG 79 CO 0.13 -0.06 0.19 0.72 -1.13 0.00 0.00 175.30 175.15 1ba9 n HIS 80 N 2.13 0.00 0.00 5.89 8.25 -0.76 -4.53 115.22 126.20 1ba9 n HIS 80 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1ba9 n HIS 80 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.21 0.00 -0.87 1.59 0.31 -1.12 -4.33 118.33 113.69 1ba9 n VAL 81 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1ba9 n VAL 81 Cb 0.00 -0.12 -0.05 0.00 -0.91 0.00 0.00 33.84 32.76 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 1.73 3.23 3.25 2.92 0.00 -1.24 -4.76 105.19 110.32 1ba9 n GLY 82 Ca 0.00 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.73 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 1.49 5.49 -2.42 1.61 9.92 -1.26 -0.93 116.55 130.45 1ba9 n ASP 83 Ca 0.26 -3.09 -0.22 0.00 -0.53 0.00 0.00 54.79 51.21 1ba9 n ASP 83 Cb 0.65 -1.45 -0.10 0.00 -0.64 0.00 0.00 41.12 39.58 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 3.70 6.24 0.00 0.64 4.77 -0.74 -4.31 117.00 127.30 1ba9 n LEU 84 Ca 0.32 -3.74 0.00 0.00 -0.03 0.00 0.00 56.01 52.56 1ba9 n LEU 84 Cb 0.39 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 1ba9 n LEU 84 CO 0.63 1.78 0.00 0.61 -1.33 0.00 0.00 177.39 179.07 1ba9 n GLY 85 N 2.00 0.94 3.34 -0.72 0.00 -1.26 -4.39 105.19 105.10 1ba9 n GLY 85 Ca 0.50 0.08 -0.18 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.63 2.23 0.50 1.61 6.03 -1.26 -0.42 114.94 122.01 1ba9 s ASN 86 Ca 0.00 -1.13 0.05 0.00 -1.03 0.00 0.00 52.86 50.75 1ba9 s ASN 86 Cb 0.00 -0.07 0.00 0.00 -3.03 0.00 0.00 41.25 38.15 1ba9 s ASN 86 CO 0.00 -0.36 0.23 0.68 -2.03 0.00 0.00 177.10 175.62 1ba9 s VAL 87 N -3.19 1.65 -0.14 3.54 -7.23 0.36 -4.88 120.40 110.51 1ba9 s VAL 87 Ca 0.25 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1ba9 s VAL 87 Cb 0.03 -2.35 0.02 0.00 0.56 0.00 0.00 36.38 34.65 1ba9 s VAL 87 CO 0.07 0.00 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.86 1ba9 s THR 88 N -2.76 1.34 0.09 5.32 2.01 -1.26 -0.58 115.64 119.79 1ba9 s THR 88 Ca 0.27 -0.51 -0.23 0.00 0.31 0.00 0.00 61.69 61.53 1ba9 s THR 88 Cb 0.00 -1.31 -0.07 0.00 0.01 0.00 0.00 72.50 71.14 1ba9 s THR 88 CO 0.16 0.40 0.70 0.00 -0.69 0.00 0.00 174.62 175.18 1ba9 s ALA 89 N 1.58 3.47 0.98 7.40 0.00 0.30 -4.10 121.76 131.38 1ba9 s ALA 89 Ca 0.05 0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 1ba9 s ALA 89 Cb -0.13 -2.86 0.18 0.00 0.00 0.00 0.00 23.12 20.31 1ba9 s ALA 89 CO -0.10 0.24 1.08 0.34 0.00 0.00 0.00 175.76 177.32 1ba9 s ASP 90 N -0.70 2.63 0.62 0.00 2.15 0.36 -2.04 116.67 119.70 1ba9 s ASP 90 Ca 0.34 1.51 0.31 0.00 0.43 0.00 0.00 52.55 55.14 1ba9 s ASP 90 Cb -0.21 -2.18 1.71 0.00 -0.30 0.00 0.00 42.92 41.95 1ba9 s ASP 90 CO 0.22 -3.17 2.04 0.07 -0.17 0.00 0.00 175.17 174.16 1ba9 h LYS 91 N -1.92 0.00 -0.01 4.34 5.09 -1.97 0.11 116.57 122.22 1ba9 h LYS 91 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.21 1ba9 h LYS 91 Cb 1.30 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.63 1ba9 h LYS 91 CO 0.53 0.00 -0.15 -3.47 -2.09 0.00 0.00 179.45 174.27 1ba9 n ASP 92 N -3.42 0.99 -0.26 7.07 2.03 -1.26 -4.87 116.55 116.83 1ba9 n ASP 92 Ca 0.01 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.34 1ba9 n ASP 92 Cb 0.37 0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 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 1.27 0.73 3.18 0.27 0.00 0.39 -4.68 105.19 106.35 1ba9 n GLY 93 Ca 0.15 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.53 2.93 -0.37 1.61 1.01 -1.25 -1.15 120.40 120.64 1ba9 s VAL 94 Ca 0.00 -1.31 -0.13 0.00 0.00 0.00 0.00 61.98 60.54 1ba9 s VAL 94 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1ba9 s VAL 94 CO 0.00 -0.03 0.26 0.00 0.00 0.00 0.00 175.10 175.33 1ba9 s ALA 95 N 1.26 3.46 0.27 5.51 0.00 -1.26 -0.49 121.76 130.51 1ba9 s ALA 95 Ca -0.04 -1.56 -0.25 0.00 0.00 0.00 0.00 51.96 50.11 1ba9 s ALA 95 Cb -0.19 -2.74 -0.09 0.00 0.00 0.00 0.00 23.12 20.10 1ba9 s ALA 95 CO -0.02 -1.22 0.87 -0.51 0.00 0.00 0.00 175.76 174.88 1ba9 s ASP 96 N 1.68 7.31 0.12 0.00 1.01 -1.26 -1.09 116.67 124.43 1ba9 s ASP 96 Ca 0.05 1.72 0.10 0.00 0.71 0.00 0.00 52.55 55.13 1ba9 s ASP 96 Cb -0.18 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 1ba9 s ASP 96 CO 0.10 0.02 -0.24 -0.69 0.21 0.00 0.00 175.17 174.56 1ba9 s VAL 97 N -1.49 2.44 -0.33 -1.27 1.01 0.15 -4.56 120.40 116.36 1ba9 s VAL 97 Ca 0.46 -1.63 -0.06 0.00 0.00 0.00 0.00 61.98 60.75 1ba9 s VAL 97 Cb -0.20 -2.08 0.19 0.00 0.00 0.00 0.00 36.38 34.29 1ba9 s VAL 97 CO 0.24 0.13 0.94 -0.94 0.00 0.00 0.00 175.10 175.47 1ba9 s SER 98 N -1.99 -0.67 0.36 3.32 1.04 -1.25 -0.95 113.70 113.57 1ba9 s SER 98 Ca 0.15 -0.16 -0.05 0.00 0.48 0.00 0.00 55.95 56.37 1ba9 s SER 98 Cb -0.10 1.09 0.02 0.00 0.10 0.00 0.00 66.02 67.12 1ba9 s SER 98 CO 0.07 -0.09 0.56 -0.51 0.98 0.00 0.00 173.24 174.25 1ba9 s ILE 99 N 2.36 0.00 0.03 -1.02 2.07 0.31 -5.00 121.20 119.96 1ba9 s ILE 99 Ca 0.19 -1.45 0.02 0.00 -1.41 0.00 0.00 60.65 57.99 1ba9 s ILE 99 Cb -0.01 -2.74 -0.02 0.00 0.13 0.00 0.00 42.46 39.82 1ba9 s ILE 99 CO -0.17 0.00 -0.06 -1.61 -1.91 0.00 0.00 174.94 171.18 1ba9 s GLU 100 N -2.77 0.46 0.16 3.50 8.01 -1.26 -0.67 118.70 126.13 1ba9 s GLU 100 Ca 0.27 -0.65 0.10 0.00 0.01 0.00 0.00 54.97 54.69 1ba9 s GLU 100 Cb -0.02 -0.22 -0.04 0.00 -4.31 0.00 0.00 34.13 29.54 1ba9 s GLU 100 CO 0.19 0.04 -0.22 -0.51 0.01 0.00 0.00 175.26 174.77 1ba9 s ASP 101 N -1.38 2.96 0.00 -0.19 1.01 0.48 -4.97 116.67 114.58 1ba9 s ASP 101 Ca -0.10 -0.82 0.05 0.00 0.71 0.00 0.00 52.55 52.39 1ba9 s ASP 101 Cb -0.09 -0.19 -0.02 0.00 1.01 0.00 0.00 42.92 43.63 1ba9 s ASP 101 CO 0.00 0.06 0.34 -0.24 0.21 0.00 0.00 175.17 175.53 1ba9 n SER 102 N 0.51 0.58 -0.08 0.27 2.88 -1.26 -0.46 113.62 116.06 1ba9 n SER 102 Ca -0.15 -0.79 -0.08 0.00 -1.33 0.00 0.00 58.87 56.52 1ba9 n SER 102 Cb 0.56 0.70 -0.03 0.00 -0.75 0.00 0.00 64.21 64.69 1ba9 n SER 102 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1ba9 n VAL 103 N -0.69 1.48 -1.09 2.46 0.31 -1.26 -4.92 118.33 114.62 1ba9 n VAL 103 Ca 0.02 0.16 -0.30 0.00 -0.01 0.00 0.00 64.34 64.20 1ba9 n VAL 103 Cb 0.09 -2.36 0.14 0.00 -0.91 0.00 0.00 33.84 30.80 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 -2.71 2.72 0.07 2.52 -5.25 -1.26 -4.99 121.20 112.30 1ba9 s ILE 104 Ca -0.25 0.23 -0.27 0.00 -0.99 0.00 0.00 60.65 59.38 1ba9 s ILE 104 Cb 0.04 -2.61 0.09 0.00 2.95 0.00 0.00 42.46 42.92 1ba9 s ILE 104 CO 0.37 -0.31 0.82 -0.44 -1.79 0.00 0.00 174.94 173.59 1ba9 s SER 105 N -3.22 -0.38 -0.34 4.36 0.01 -1.26 -4.57 113.70 108.28 1ba9 s SER 105 Ca 0.64 -0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.83 1ba9 s SER 105 Cb -0.19 0.47 0.37 0.00 0.21 0.00 0.00 66.02 66.88 1ba9 s SER 105 CO 0.57 -0.77 1.76 0.18 0.41 0.00 0.00 173.24 175.39 1ba9 n LEU 106 N -0.32 5.97 -3.88 2.44 4.32 -1.26 -0.07 117.00 124.20 1ba9 n LEU 106 Ca -0.10 -3.15 -0.09 0.00 -0.02 0.00 0.00 56.01 52.65 1ba9 n LEU 106 Cb 0.62 -0.84 -0.04 0.00 -1.62 0.00 0.00 43.42 41.54 1ba9 n LEU 106 CO 0.12 1.03 0.26 -0.94 -1.22 0.00 0.00 177.39 176.63 1ba9 s SER 107 N -0.45 -0.18 0.95 -1.43 1.04 -1.26 -4.78 113.70 107.59 1ba9 s SER 107 Ca 0.38 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1ba9 s SER 107 Cb 0.31 0.60 0.00 0.00 0.10 0.00 0.00 66.02 67.04 1ba9 s SER 107 CO 0.04 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.73 1ba9 n GLY 108 N -0.37 0.84 0.23 7.32 0.00 -1.26 -0.52 105.19 111.43 1ba9 n GLY 108 Ca -0.05 -0.84 0.03 0.00 0.00 0.00 0.00 46.02 45.15 1ba9 n GLY 108 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ba9 h ASP 109 N 0.39 0.17 -0.05 1.61 2.03 -2.00 -3.10 116.42 115.47 1ba9 h ASP 109 Ca 0.00 -0.04 -0.06 0.00 -0.73 0.00 0.00 57.03 56.20 1ba9 h ASP 109 Cb 0.00 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 38.44 1ba9 h ASP 109 CO 0.00 0.36 -0.13 0.45 -1.03 0.00 0.00 179.24 178.89 1ba9 h HIS 110 N 0.17 0.38 0.00 4.15 3.86 -1.84 -3.46 115.15 118.41 1ba9 h HIS 110 Ca 0.03 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1ba9 h HIS 110 Cb 0.41 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1ba9 h HIS 110 CO 0.00 0.49 0.00 0.45 0.86 0.00 0.00 177.93 179.73 1ba9 n SER 111 N -4.23 0.00 0.34 2.45 2.88 0.32 -4.35 113.62 111.03 1ba9 n SER 111 Ca -0.00 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 1ba9 n SER 111 Cb 0.30 0.00 0.96 0.00 -0.75 0.00 0.00 64.21 64.72 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 0.00 0.00 -2.28 2.46 3.07 -0.79 -3.40 117.51 116.56 1ba9 h ILE 112 Ca 0.00 0.00 -0.55 0.00 1.55 0.00 0.00 64.86 65.86 1ba9 h ILE 112 Cb 0.00 0.78 0.02 0.00 -0.27 0.00 0.00 36.82 37.35 1ba9 h ILE 112 CO 0.00 0.00 1.22 -0.38 -1.05 0.00 0.00 178.15 177.94 1ba9 n ILE 113 N -2.95 0.73 0.00 0.16 2.08 -1.26 -0.68 119.36 117.43 1ba9 n ILE 113 Ca -0.02 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.14 1ba9 n ILE 113 Cb 0.28 -2.25 0.00 0.00 -0.75 0.00 0.00 39.64 36.92 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 4.58 2.00 3.77 7.39 0.00 0.49 -4.99 105.19 118.42 1ba9 n GLY 114 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.05 4.35 -0.52 1.61 3.00 0.14 -4.02 118.95 123.46 1ba9 s ARG 115 Ca 0.00 1.92 -0.25 0.00 0.00 0.00 0.00 55.73 57.40 1ba9 s ARG 115 Cb 0.00 -2.96 0.03 0.00 0.00 0.00 0.00 34.95 32.02 1ba9 s ARG 115 CO 0.00 -0.09 0.96 0.99 0.00 0.00 0.00 175.30 177.16 1ba9 s THR 116 N -1.26 4.39 0.01 0.02 2.01 -1.25 -1.01 115.64 118.55 1ba9 s THR 116 Ca 0.50 0.52 -0.16 0.00 0.31 0.00 0.00 61.69 62.86 1ba9 s THR 116 Cb -0.33 -4.51 -0.06 0.00 0.01 0.00 0.00 72.50 67.60 1ba9 s THR 116 CO 0.43 -1.02 0.46 -0.22 -0.69 0.00 0.00 174.62 173.58 1ba9 s LEU 117 N 3.96 4.47 0.04 4.42 2.96 0.46 -0.31 118.68 134.68 1ba9 s LEU 117 Ca 0.34 1.03 0.02 0.00 -0.22 0.00 0.00 54.13 55.30 1ba9 s LEU 117 Cb -0.11 -2.69 -0.02 0.00 0.50 0.00 0.00 46.19 43.87 1ba9 s LEU 117 CO 0.23 0.27 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.76 1ba9 s VAL 118 N -0.87 0.54 -0.01 1.68 1.01 0.20 -0.96 120.40 121.98 1ba9 s VAL 118 Ca 0.25 -1.11 0.07 0.00 0.00 0.00 0.00 61.98 61.19 1ba9 s VAL 118 Cb -0.17 -0.64 -0.10 0.00 0.00 0.00 0.00 36.38 35.46 1ba9 s VAL 118 CO 0.15 -0.40 0.15 0.55 0.00 0.00 0.00 175.10 175.54 1ba9 n VAL 119 N 1.41 0.01 -1.38 2.92 3.14 -1.20 -0.68 118.33 122.54 1ba9 n VAL 119 Ca -0.22 -0.16 0.16 0.00 -2.96 0.00 0.00 64.34 61.16 1ba9 n VAL 119 Cb 0.55 0.32 -0.09 0.00 -1.06 0.00 0.00 33.84 33.56 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 -1.75 -3.56 -0.08 1.45 8.25 -1.14 -2.19 115.22 116.20 1ba9 n HIS 120 Ca -0.01 1.96 -0.13 0.00 -0.26 0.00 0.00 57.72 59.27 1ba9 n HIS 120 Cb 0.19 -3.24 -0.05 0.00 1.12 0.00 0.00 29.99 28.01 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 -1.41 0.62 0.00 -0.41 4.81 -0.65 -3.40 114.58 114.13 1ba9 h GLU 121 Ca -0.17 -0.34 -0.38 0.00 -0.13 0.00 0.00 59.36 58.34 1ba9 h GLU 121 Cb 1.29 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.60 1ba9 h GLU 121 CO 0.07 0.94 -0.31 1.63 -0.73 0.00 0.00 179.01 180.60 1ba9 n LYS 122 N -4.32 0.80 -1.54 1.92 5.02 -1.24 -4.89 118.16 113.90 1ba9 n LYS 122 Ca -0.05 -2.33 -0.36 0.00 -2.02 0.00 0.00 58.31 53.55 1ba9 n LYS 122 Cb 0.46 1.13 0.08 0.00 -0.02 0.00 0.00 35.03 36.67 1ba9 n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ba9 n ALA 123 N -1.76 0.53 -2.69 7.82 0.00 -0.01 -0.53 120.51 123.87 1ba9 n ALA 123 Ca -0.11 -0.09 -0.37 0.00 0.00 0.00 0.00 53.44 52.87 1ba9 n ALA 123 Cb 0.41 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.52 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 -1.53 5.97 0.00 0.00 -4.77 -1.26 -3.83 116.67 111.25 1ba9 s ASP 124 Ca 0.78 0.05 0.00 0.00 -3.30 0.00 0.00 52.55 50.09 1ba9 s ASP 124 Cb -0.36 -2.08 0.00 0.00 -1.09 0.00 0.00 42.92 39.38 1ba9 s ASP 124 CO 0.45 0.04 0.58 0.47 0.70 0.00 0.00 175.17 177.40 1ba9 n ASP 125 N 4.47 1.63 -3.89 2.11 9.92 0.65 -4.77 116.55 126.67 1ba9 n ASP 125 Ca -0.15 -1.37 -0.28 0.00 -0.53 0.00 0.00 54.79 52.46 1ba9 n ASP 125 Cb 0.52 -0.34 -0.07 0.00 -0.64 0.00 0.00 41.12 40.59 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ba9 n LEU 126 N 0.50 -0.70 0.00 0.64 4.77 -1.26 -0.60 117.00 120.35 1ba9 n LEU 126 Ca 0.00 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 1ba9 n LEU 126 Cb 0.29 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1ba9 n LEU 126 CO 0.00 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1ba9 n GLY 127 N -1.71 1.75 0.30 -0.72 0.00 -1.25 -4.15 105.19 99.41 1ba9 n GLY 127 Ca -0.12 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.06 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ba9 h LYS 128 N 1.39 0.00 -0.75 1.61 2.10 -1.16 0.41 116.57 120.16 1ba9 h LYS 128 Ca 0.00 0.00 0.20 0.00 -2.00 0.00 0.00 60.65 58.85 1ba9 h LYS 128 Cb 0.00 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.29 1ba9 h LYS 128 CO 0.00 0.00 0.53 0.78 -2.00 0.00 0.00 179.45 178.76 1ba9 h GLY 129 N 0.04 0.17 -4.70 0.07 0.00 -1.89 -3.47 103.07 93.30 1ba9 h GLY 129 Ca -0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 47.33 47.08 1ba9 h GLY 129 CO 0.00 0.00 -0.59 0.61 0.00 0.00 0.00 176.54 176.57 1ba9 n GLY 130 N -1.65 -0.36 3.36 4.60 0.00 0.13 -5.03 105.19 106.24 1ba9 n GLY 130 Ca 0.15 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.63 -0.39 0.32 1.61 6.03 -1.26 -5.01 114.94 112.61 1ba9 s ASN 131 Ca 0.17 0.32 0.09 0.00 -1.03 0.00 0.00 52.86 52.41 1ba9 s ASN 131 Cb -0.02 0.42 0.88 0.00 -3.03 0.00 0.00 41.25 39.49 1ba9 s ASN 131 CO 0.53 -0.55 1.73 -0.08 -2.03 0.00 0.00 177.10 176.70 1ba9 h GLU 132 N 3.39 0.56 0.00 3.55 4.81 -1.96 0.12 114.58 125.04 1ba9 h GLU 132 Ca -0.29 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1ba9 h GLU 132 Cb 1.17 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1ba9 h GLU 132 CO 0.40 0.37 0.00 1.04 -0.73 0.00 0.00 179.01 180.09 1ba9 n GLN 133 N -4.89 0.00 -0.36 1.92 1.13 -1.26 -0.30 117.38 113.62 1ba9 n GLN 133 Ca 0.27 0.13 0.03 0.00 -1.94 0.00 0.00 57.00 55.49 1ba9 n GLN 133 Cb 0.74 -0.67 0.10 0.00 0.11 0.00 0.00 30.24 30.52 1ba9 n GLN 133 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ba9 n SER 134 N -0.29 -0.47 0.32 1.08 7.64 -0.91 0.41 113.62 121.40 1ba9 n SER 134 Ca 0.00 1.70 0.21 0.00 1.01 0.00 0.00 58.87 61.79 1ba9 n SER 134 Cb 0.00 -0.46 1.08 0.00 -1.01 0.00 0.00 64.21 63.81 1ba9 n SER 134 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1ba9 h THR 135 N 0.00 0.00 0.00 0.44 2.02 -0.68 0.10 112.91 114.79 1ba9 h THR 135 Ca 0.42 -0.14 -0.32 0.00 0.77 0.00 0.00 66.41 67.15 1ba9 h THR 135 Cb 0.66 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 68.15 1ba9 h THR 135 CO -1.00 0.00 -2.19 1.17 0.37 0.00 0.00 175.52 173.87 1ba9 n LYS 136 N -3.07 0.83 0.00 6.66 4.81 0.59 -1.18 118.16 126.79 1ba9 n LYS 136 Ca -0.02 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1ba9 n LYS 136 Cb 0.13 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 33.75 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 -2.92 0.00 0.00 3.15 -2.24 0.17 -4.18 114.28 108.25 1ba9 n THR 137 Ca -0.34 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1ba9 n THR 137 Cb 0.96 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 2.81 0.97 2.36 3.38 0.00 -0.03 -4.67 105.19 110.00 1ba9 n GLY 138 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -5.07 0.03 1.61 5.15 -1.26 -0.26 115.26 115.46 1ba9 n ASN 139 Ca 0.00 -0.03 -0.08 0.00 -0.60 0.00 0.00 54.58 53.87 1ba9 n ASN 139 Cb 0.00 -4.15 -0.06 0.00 -0.53 0.00 0.00 39.78 35.04 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 0.82 -0.19 0.00 5.20 0.00 -1.83 -3.46 119.26 119.79 1ba9 h ALA 140 Ca -0.41 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1ba9 h ALA 140 Cb 1.30 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1ba9 h ALA 140 CO 0.48 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1ba9 n GLY 141 N 1.01 0.58 3.58 0.00 0.00 -1.26 -3.72 105.19 105.38 1ba9 n GLY 141 Ca -0.06 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 1ba9 n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ba9 s SER 142 N -4.00 0.72 -0.79 1.61 0.01 -1.26 -4.51 113.70 105.47 1ba9 s SER 142 Ca 0.00 0.57 -0.12 0.00 1.31 0.00 0.00 55.95 57.71 1ba9 s SER 142 Cb 0.00 -0.76 0.21 0.00 0.21 0.00 0.00 66.02 65.68 1ba9 s SER 142 CO 0.00 -4.24 0.71 -0.13 0.41 0.00 0.00 173.24 169.99 1ba9 s ARG 143 N -5.46 3.43 0.19 12.44 0.52 -1.26 0.00 118.95 128.82 1ba9 s ARG 143 Ca 0.72 -2.48 -0.16 0.00 -0.52 0.00 0.00 55.73 53.28 1ba9 s ARG 143 Cb -0.09 -4.31 0.17 0.00 0.52 0.00 0.00 34.95 31.25 1ba9 s ARG 143 CO 0.56 -1.27 1.63 -0.07 0.02 0.00 0.00 175.30 176.17 1ba9 h LEU 144 N 7.63 -0.64 -7.92 2.53 -0.00 -1.93 -3.44 115.31 111.54 1ba9 h LEU 144 Ca 0.09 0.18 -0.10 0.00 -0.00 0.00 0.00 57.88 58.05 1ba9 h LEU 144 Cb 1.02 0.39 -0.14 0.00 -0.00 0.00 0.00 40.66 41.92 1ba9 h LEU 144 CO 0.74 -0.22 -0.46 0.00 -0.00 0.00 0.00 178.44 178.51 1ba9 s ALA 145 N -6.19 -0.03 -0.16 1.53 0.00 -1.26 -3.63 121.76 112.03 1ba9 s ALA 145 Ca -0.14 -0.76 -0.21 0.00 0.00 0.00 0.00 51.96 50.84 1ba9 s ALA 145 Cb 0.17 0.41 0.05 0.00 0.00 0.00 0.00 23.12 23.76 1ba9 s ALA 145 CO 0.72 -0.46 0.56 0.00 0.00 0.00 0.00 175.76 176.58 1ba9 s GLY 147 N -0.20 -0.50 0.07 0.00 0.00 -0.14 -3.13 107.32 103.43 1ba9 s GLY 147 Ca -0.04 1.96 -0.21 0.00 0.00 0.00 0.00 44.72 46.43 1ba9 s GLY 147 CO 0.03 1.58 0.62 -1.34 0.00 0.00 0.00 173.10 173.99 1ba9 s VAL 148 N 0.00 4.71 0.35 1.40 -7.23 -1.26 -0.40 120.40 117.97 1ba9 s VAL 148 Ca -0.02 1.33 -0.25 0.00 -1.81 0.00 0.00 61.98 61.22 1ba9 s VAL 148 Cb -0.04 -3.96 -0.10 0.00 0.56 0.00 0.00 36.38 32.85 1ba9 s VAL 148 CO 0.02 0.51 1.00 -0.63 -0.31 0.00 0.00 175.10 175.70 1ba9 s ILE 149 N -0.89 3.95 0.33 -0.62 1.01 -0.18 -4.35 121.20 120.45 1ba9 s ILE 149 Ca 0.31 1.59 -0.05 0.00 0.00 0.00 0.00 60.65 62.50 1ba9 s ILE 149 Cb -0.20 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.41 1ba9 s ILE 149 CO 0.20 0.10 0.50 -0.83 0.00 0.00 0.00 174.94 174.91 1ba9 s GLY 150 N -1.54 1.26 0.36 6.18 0.00 0.55 -0.38 107.32 113.75 1ba9 s GLY 150 Ca 0.53 -1.37 -0.26 0.00 0.00 0.00 0.00 44.72 43.62 1ba9 s GLY 150 CO 0.27 -0.89 1.11 -0.42 0.00 0.00 0.00 173.10 173.16 1ba9 s ILE 151 N -3.12 3.45 -0.80 0.90 1.09 -1.26 -0.42 121.20 121.04 1ba9 s ILE 151 Ca 0.28 1.26 -0.22 0.00 -1.10 0.00 0.00 60.65 60.87 1ba9 s ILE 151 Cb -0.01 -3.72 0.08 0.00 -1.06 0.00 0.00 42.46 37.76 1ba9 s ILE 151 CO 0.18 0.15 1.10 0.00 -0.10 0.00 0.00 174.94 176.27 1ba9 s ALA 152 N -1.42 3.12 0.00 9.38 0.00 -0.26 -4.58 121.76 128.00 1ba9 s ALA 152 Ca 0.53 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1ba9 s ALA 152 Cb -0.28 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 18.80 1ba9 s ALA 152 CO 0.36 -2.99 0.00 0.94 0.00 0.00 0.00 175.76 174.07