#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 -1.69 0.00 -2.24 -1.26 -4.22 114.28 104.87 1ba9 n THR 2 Ca 0.00 0.00 -0.57 0.00 -2.27 0.00 0.00 64.05 61.21 1ba9 n THR 2 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 1ba9 n THR 2 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1ba9 n LYS 3 N 0.00 1.06 -3.64 -0.78 2.85 -1.26 -3.94 118.16 112.45 1ba9 n LYS 3 Ca 0.00 0.39 -0.20 0.00 -1.05 0.00 0.00 58.31 57.44 1ba9 n LYS 3 Cb 0.00 -2.05 -0.03 0.00 -0.65 0.00 0.00 35.03 32.31 1ba9 n LYS 3 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ba9 s ALA 4 N 2.90 4.01 0.11 0.58 0.00 0.97 -3.08 121.76 127.24 1ba9 s ALA 4 Ca 0.96 -1.67 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1ba9 s ALA 4 Cb -1.08 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 1ba9 s ALA 4 CO 0.63 -0.07 -0.13 0.54 0.00 0.00 0.00 175.76 176.73 1ba9 s VAL 5 N -2.32 1.17 -0.07 0.00 0.11 0.77 -0.65 120.40 119.39 1ba9 s VAL 5 Ca 0.44 -1.63 -0.01 0.00 -2.93 0.00 0.00 61.98 57.85 1ba9 s VAL 5 Cb -0.06 -1.40 0.03 0.00 -1.53 0.00 0.00 36.38 33.41 1ba9 s VAL 5 CO 0.28 -0.44 -0.01 0.00 -3.33 0.00 0.00 175.10 171.60 1ba9 s ALA 6 N -2.12 0.77 -0.77 1.54 0.00 0.23 -0.80 121.76 120.62 1ba9 s ALA 6 Ca 0.06 -0.17 -0.23 0.00 0.00 0.00 0.00 51.96 51.62 1ba9 s ALA 6 Cb -0.05 -0.74 0.07 0.00 0.00 0.00 0.00 23.12 22.40 1ba9 s ALA 6 CO 0.02 -0.43 1.11 0.14 0.00 0.00 0.00 175.76 176.61 1ba9 s VAL 7 N 1.87 4.23 0.36 0.00 -7.23 -1.26 -0.64 120.40 117.74 1ba9 s VAL 7 Ca 0.04 -0.48 -0.28 0.00 -1.81 0.00 0.00 61.98 59.45 1ba9 s VAL 7 Cb -0.12 -4.79 -0.11 0.00 0.56 0.00 0.00 36.38 31.91 1ba9 s VAL 7 CO -0.05 -1.60 1.50 -0.76 -0.31 0.00 0.00 175.10 173.88 1ba9 s LEU 8 N 4.25 4.32 0.01 1.32 1.02 0.15 -4.34 118.68 125.41 1ba9 s LEU 8 Ca 0.29 3.03 -0.17 0.00 0.02 0.00 0.00 54.13 57.30 1ba9 s LEU 8 Cb -0.11 -3.66 0.03 0.00 0.02 0.00 0.00 46.19 42.47 1ba9 s LEU 8 CO 0.05 -0.88 0.37 -0.54 0.02 0.00 0.00 176.35 175.38 1ba9 s LYS 9 N -1.80 0.80 0.00 1.70 1.02 0.38 -0.63 119.74 121.21 1ba9 s LYS 9 Ca 0.55 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.29 1ba9 s LYS 9 Cb -0.47 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.20 1ba9 s LYS 9 CO 0.60 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 175.20 1ba9 n GLY 10 N 0.92 5.64 0.31 -3.33 0.00 -0.76 -0.65 105.19 107.32 1ba9 n GLY 10 Ca -0.20 -1.82 -0.07 0.00 0.00 0.00 0.00 46.02 43.94 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 0.99 -2.64 1.61 1.82 -1.89 -3.45 116.42 112.87 1ba9 h ASP 11 Ca 0.00 -0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.45 1ba9 h ASP 11 Cb 0.00 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 39.75 1ba9 h ASP 11 CO 0.00 0.92 0.00 0.61 -1.61 0.00 0.00 179.24 179.16 1ba9 n GLY 12 N -0.79 1.37 0.00 -0.78 0.00 -1.26 -4.97 105.19 98.75 1ba9 n GLY 12 Ca 0.05 -2.00 0.07 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.51 0.92 -1.70 1.61 -0.04 -1.26 -4.78 135.00 129.24 1ba9 n PRO 13 Ca 0.00 0.00 -0.59 0.00 -0.04 0.00 0.00 63.50 62.87 1ba9 n PRO 13 Cb 0.00 -1.25 -0.08 0.00 -0.04 0.00 0.00 33.50 32.14 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 -0.75 0.22 -3.88 0.52 0.31 -1.26 -4.78 118.33 108.72 1ba9 n VAL 14 Ca 0.11 -0.04 -0.09 0.00 -0.01 0.00 0.00 64.34 64.31 1ba9 n VAL 14 Cb 0.05 -1.04 -0.07 0.00 -0.91 0.00 0.00 33.84 31.86 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 3.07 0.86 -0.20 5.55 -2.07 -0.42 -1.83 119.66 124.63 1ba9 s GLN 15 Ca 0.98 -1.00 -0.15 0.00 -1.82 0.00 0.00 55.36 53.37 1ba9 s GLN 15 Cb -1.13 0.34 0.06 0.00 -1.09 0.00 0.00 33.01 31.18 1ba9 s GLN 15 CO 0.66 -0.27 0.51 0.20 -1.32 0.00 0.00 175.29 175.07 1ba9 s GLY 16 N -2.88 -0.41 -0.42 2.60 0.00 0.20 0.74 107.32 107.16 1ba9 s GLY 16 Ca 0.07 1.62 -0.18 0.00 0.00 0.00 0.00 44.72 46.22 1ba9 s GLY 16 CO -0.10 1.56 0.51 -0.42 0.00 0.00 0.00 173.10 174.65 1ba9 s ILE 17 N 0.82 5.00 0.08 0.90 1.01 -0.76 0.30 121.20 128.56 1ba9 s ILE 17 Ca -0.04 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.48 1ba9 s ILE 17 Cb -0.05 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 1ba9 s ILE 17 CO -0.07 -0.45 0.22 -0.63 0.00 0.00 0.00 174.94 174.01 1ba9 s ILE 18 N 2.37 5.33 -0.01 2.92 -1.09 0.19 -1.06 121.20 129.86 1ba9 s ILE 18 Ca 0.16 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.13 1ba9 s ILE 18 Cb -0.16 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.08 1ba9 s ILE 18 CO 0.15 0.09 -0.09 0.20 -1.23 0.00 0.00 174.94 174.06 1ba9 s ASN 19 N -2.66 1.11 -0.19 3.58 -0.87 0.94 -0.60 114.94 116.24 1ba9 s ASN 19 Ca 0.35 -0.18 -0.03 0.00 -1.57 0.00 0.00 52.86 51.43 1ba9 s ASN 19 Cb -0.13 -0.12 0.06 0.00 -0.02 0.00 0.00 41.25 41.04 1ba9 s ASN 19 CO 0.28 0.11 0.03 -0.36 -2.57 0.00 0.00 177.10 174.58 1ba9 s PHE 20 N -0.25 1.09 0.06 2.20 0.40 0.17 -0.96 117.98 120.70 1ba9 s PHE 20 Ca 0.03 -0.88 -0.01 0.00 -0.60 0.00 0.00 56.93 55.48 1ba9 s PHE 20 Cb -0.04 -1.05 -0.04 0.00 0.51 0.00 0.00 43.02 42.40 1ba9 s PHE 20 CO -0.00 -0.61 0.23 -1.21 0.70 0.00 0.00 175.22 174.33 1ba9 s GLU 21 N 1.83 3.47 0.15 0.44 2.02 0.54 -0.02 118.70 127.13 1ba9 s GLU 21 Ca -0.01 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.62 1ba9 s GLU 21 Cb -0.17 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.04 1ba9 s GLU 21 CO -0.08 0.60 0.00 0.94 0.02 0.00 0.00 175.26 176.74 1ba9 n GLN 22 N 0.37 0.00 0.00 1.61 -0.06 -1.25 -0.74 117.38 117.31 1ba9 n GLN 22 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.94 1ba9 n GLN 22 Cb 0.51 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.69 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1ba9 n LYS 23 N -2.72 0.00 -0.99 3.69 4.81 -1.26 -4.92 118.16 116.77 1ba9 n LYS 23 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 1ba9 n LYS 23 Cb 0.00 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.18 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 1.57 0.09 1.64 0.41 -1.26 -2.98 118.70 118.17 1ba9 s GLU 24 Ca 0.00 1.48 -0.14 0.00 -0.41 0.00 0.00 54.97 55.90 1ba9 s GLU 24 Cb 0.00 -1.80 -0.16 0.00 -1.78 0.00 0.00 34.13 30.40 1ba9 s GLU 24 CO 0.00 -2.21 1.30 1.03 -0.49 0.00 0.00 175.26 174.89 1ba9 h SER 25 N -1.38 0.88 -0.37 -0.19 0.87 -1.98 -3.37 113.55 108.01 1ba9 h SER 25 Ca -0.44 -0.62 -0.23 0.00 -1.23 0.00 0.00 61.79 59.27 1ba9 h SER 25 Cb 1.26 -0.26 -0.39 0.00 -0.44 0.00 0.00 62.40 62.57 1ba9 h SER 25 CO 0.46 1.36 -1.09 0.59 -0.53 0.00 0.00 176.83 177.62 1ba9 n ASN 26 N -4.02 1.42 -3.81 6.23 3.02 -1.26 -4.37 115.26 112.48 1ba9 n ASN 26 Ca -0.07 -2.02 -0.21 0.00 -0.03 0.00 0.00 54.58 52.24 1ba9 n ASN 26 Cb 0.70 -0.43 0.13 0.00 -0.61 0.00 0.00 39.78 39.58 1ba9 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ba9 n GLY 27 N -0.51 -0.41 3.64 7.41 0.00 -1.26 -5.03 105.19 109.04 1ba9 n GLY 27 Ca 0.06 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 1ba9 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ba9 s PRO 28 N -4.99 4.04 0.29 1.61 0.04 -1.26 -4.69 135.00 130.03 1ba9 s PRO 28 Ca 0.58 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 1ba9 s PRO 28 Cb -0.02 -3.83 -0.10 0.00 0.04 0.00 0.00 34.50 30.59 1ba9 s PRO 28 CO 0.40 -0.96 1.28 0.08 0.04 0.00 0.00 177.00 177.83 1ba9 s VAL 29 N 4.04 2.97 -0.18 -0.36 1.01 0.55 -4.69 120.40 123.74 1ba9 s VAL 29 Ca 0.56 0.92 -0.07 0.00 0.00 0.00 0.00 61.98 63.39 1ba9 s VAL 29 Cb -0.19 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1ba9 s VAL 29 CO 0.20 0.20 0.05 -0.54 0.00 0.00 0.00 175.10 175.00 1ba9 s LYS 30 N -1.26 3.94 -0.05 2.72 1.02 0.08 -1.47 119.74 124.72 1ba9 s LYS 30 Ca 0.50 -0.36 0.06 0.00 0.02 0.00 0.00 55.97 56.19 1ba9 s LYS 30 Cb -0.38 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 33.74 1ba9 s LYS 30 CO 0.47 0.27 -0.23 0.54 -0.92 0.00 0.00 175.35 175.48 1ba9 s VAL 31 N 0.37 1.85 0.22 3.17 0.11 0.18 -0.34 120.40 125.96 1ba9 s VAL 31 Ca 0.02 -0.95 -0.22 0.00 -2.93 0.00 0.00 61.98 57.89 1ba9 s VAL 31 Cb -0.13 -1.58 0.04 0.00 -1.53 0.00 0.00 36.38 33.19 1ba9 s VAL 31 CO 0.00 0.52 0.72 -1.66 -3.33 0.00 0.00 175.10 171.35 1ba9 s TRP 32 N -0.10 -0.29 -1.58 1.54 -2.14 -0.13 -0.50 118.94 115.75 1ba9 s TRP 32 Ca -0.04 -0.07 0.00 0.00 2.66 0.00 0.00 56.10 58.65 1ba9 s TRP 32 Cb -0.13 0.65 0.00 0.00 -3.10 0.00 0.00 33.47 30.89 1ba9 s TRP 32 CO 0.03 -1.06 0.00 0.41 -2.66 0.00 0.00 176.95 173.67 1ba9 n GLY 33 N -0.43 -1.28 2.98 3.67 0.00 -0.03 -0.04 105.19 110.05 1ba9 n GLY 33 Ca -0.08 -0.93 -0.06 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.18 0.77 1.61 1.04 -0.23 -0.70 113.70 112.01 1ba9 s SER 34 Ca 0.00 0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.62 1ba9 s SER 34 Cb 0.00 1.39 0.06 0.00 0.10 0.00 0.00 66.02 67.57 1ba9 s SER 34 CO 0.00 -0.30 1.10 -0.63 0.98 0.00 0.00 173.24 174.39 1ba9 s ILE 35 N 2.63 3.17 -0.37 -1.02 1.01 -0.25 -1.82 121.20 124.54 1ba9 s ILE 35 Ca 0.14 0.38 0.06 0.00 0.00 0.00 0.00 60.65 61.23 1ba9 s ILE 35 Cb -0.15 -3.19 0.18 0.00 0.01 0.00 0.00 42.46 39.31 1ba9 s ILE 35 CO -0.19 -0.50 0.54 -0.75 0.00 0.00 0.00 174.94 174.05 1ba9 s LYS 36 N -5.21 0.70 0.00 2.79 2.47 0.23 -3.92 119.74 116.80 1ba9 s LYS 36 Ca 0.60 -0.24 0.00 0.00 -1.56 0.00 0.00 55.97 54.77 1ba9 s LYS 36 Cb -0.14 -0.11 0.00 0.00 -1.46 0.00 0.00 37.83 36.13 1ba9 s LYS 36 CO 0.54 -1.16 0.00 0.41 0.16 0.00 0.00 175.35 175.30 1ba9 n GLY 37 N 4.61 -0.06 3.55 5.54 0.00 -0.16 -1.30 105.19 117.38 1ba9 n GLY 37 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 1.07 0.68 0.99 2.01 -1.07 -4.71 118.68 117.65 1ba9 s LEU 38 Ca 0.00 1.39 -0.08 0.00 0.01 0.00 0.00 54.13 55.45 1ba9 s LEU 38 Cb 0.00 -3.38 0.04 0.00 0.01 0.00 0.00 46.19 42.85 1ba9 s LEU 38 CO 0.00 -3.86 1.02 0.42 1.01 0.00 0.00 176.35 174.94 1ba9 s THR 39 N -2.64 2.90 0.79 5.49 -4.23 -1.26 -4.12 115.64 112.57 1ba9 s THR 39 Ca 0.67 -0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 61.03 1ba9 s THR 39 Cb -0.23 -3.23 0.03 0.00 1.34 0.00 0.00 72.50 70.41 1ba9 s THR 39 CO 0.62 -0.27 0.82 -1.84 -0.54 0.00 0.00 174.62 173.42 1ba9 n GLU 40 N -2.89 0.18 0.00 3.99 0.28 -1.25 -4.56 120.64 116.40 1ba9 n GLU 40 Ca 0.07 0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 1ba9 n GLU 40 Cb 0.59 -2.12 0.00 0.00 1.43 0.00 0.00 31.44 31.34 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 1.13 -2.66 3.73 -1.84 0.00 -0.21 -4.81 105.19 100.53 1ba9 n GLY 41 Ca 0.11 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 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 4.46 -0.12 0.99 1.02 -1.26 -0.73 118.68 123.04 1ba9 s LEU 42 Ca 0.00 1.90 0.00 0.00 0.02 0.00 0.00 54.13 56.05 1ba9 s LEU 42 Cb 0.00 -3.59 0.02 0.00 0.02 0.00 0.00 46.19 42.64 1ba9 s LEU 42 CO 0.00 -0.19 -0.11 -1.00 0.02 0.00 0.00 176.35 175.07 1ba9 s HIS 43 N 0.20 1.74 0.28 0.29 3.76 0.80 -2.23 115.29 120.13 1ba9 s HIS 43 Ca 0.50 -0.88 -0.30 0.00 -0.15 0.00 0.00 55.06 54.23 1ba9 s HIS 43 Cb -0.26 -1.35 -0.13 0.00 1.11 0.00 0.00 32.58 31.95 1ba9 s HIS 43 CO 0.31 -0.53 1.26 0.41 -0.85 0.00 0.00 174.74 175.34 1ba9 n GLY 44 N 4.69 0.42 2.73 -2.22 0.00 -0.44 -0.63 105.19 109.74 1ba9 n GLY 44 Ca -0.16 0.40 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 1ba9 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ba9 s PHE 45 N -0.65 0.79 0.16 1.61 2.19 -0.08 -0.28 117.98 121.71 1ba9 s PHE 45 Ca 0.62 -0.55 -0.13 0.00 0.33 0.00 0.00 56.93 57.20 1ba9 s PHE 45 Cb -0.65 -0.90 0.01 0.00 -1.31 0.00 0.00 43.02 40.17 1ba9 s PHE 45 CO 0.57 -0.50 0.37 -1.01 1.83 0.00 0.00 175.22 176.47 1ba9 s HIS 46 N 1.94 0.13 -0.49 10.12 0.09 -0.21 -2.93 115.29 123.95 1ba9 s HIS 46 Ca 0.01 -0.49 -0.18 0.00 -0.00 0.00 0.00 55.06 54.41 1ba9 s HIS 46 Cb -0.15 0.13 0.06 0.00 -0.00 0.00 0.00 32.58 32.62 1ba9 s HIS 46 CO -0.07 -0.76 0.54 0.08 -0.00 0.00 0.00 174.74 174.52 1ba9 s VAL 47 N -3.91 5.01 0.89 -0.90 1.01 -0.47 -0.64 120.40 121.39 1ba9 s VAL 47 Ca 0.12 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1ba9 s VAL 47 Cb 0.02 -4.22 0.12 0.00 0.00 0.00 0.00 36.38 32.30 1ba9 s VAL 47 CO -0.04 -0.70 1.12 -1.00 0.00 0.00 0.00 175.10 174.48 1ba9 s HIS 48 N 2.28 2.55 1.43 5.22 3.76 0.77 -0.36 115.29 130.94 1ba9 s HIS 48 Ca 0.11 0.97 -0.23 0.00 -0.15 0.00 0.00 55.06 55.76 1ba9 s HIS 48 Cb -0.21 -3.29 0.37 0.00 1.11 0.00 0.00 32.58 30.56 1ba9 s HIS 48 CO 0.10 -2.26 0.94 -1.21 -0.85 0.00 0.00 174.74 171.46 1ba9 s GLU 49 N -5.19 -2.98 0.52 1.40 8.01 -0.94 -3.90 118.70 115.62 1ba9 s GLU 49 Ca 0.63 0.06 0.00 0.00 0.01 0.00 0.00 54.97 55.67 1ba9 s GLU 49 Cb -0.15 -1.38 0.00 0.00 -4.31 0.00 0.00 34.13 28.29 1ba9 s GLU 49 CO 0.54 -4.89 0.00 0.39 0.01 0.00 0.00 175.26 171.31 1ba9 n GLU 50 N -5.63 -0.34 0.00 1.61 -0.58 -1.26 -4.39 120.64 110.05 1ba9 n GLU 50 Ca 0.14 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 1ba9 n GLU 50 Cb 0.60 -0.42 0.00 0.00 -0.57 0.00 0.00 31.44 31.06 1ba9 n GLU 50 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1ba9 n GLU 51 N -1.13 0.00 -3.75 3.49 0.28 -1.26 -3.40 120.64 114.86 1ba9 n GLU 51 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 1ba9 n GLU 51 Cb 0.08 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.81 1ba9 n GLU 51 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1ba9 s ASP 52 N 1.62 3.83 0.11 -1.84 1.01 -1.26 -4.50 116.67 115.64 1ba9 s ASP 52 Ca 0.00 -2.48 0.00 0.00 0.71 0.00 0.00 52.55 50.78 1ba9 s ASP 52 Cb 0.00 -1.10 0.00 0.00 1.01 0.00 0.00 42.92 42.83 1ba9 s ASP 52 CO 0.00 -0.29 0.00 0.59 0.21 0.00 0.00 175.17 175.68 1ba9 n ASN 53 N 3.74 -1.03 -3.20 0.27 3.02 -1.26 -5.00 115.26 111.80 1ba9 n ASN 53 Ca 0.06 0.31 -0.22 0.00 -0.03 0.00 0.00 54.58 54.70 1ba9 n ASN 53 Cb 0.36 1.21 -0.02 0.00 -0.61 0.00 0.00 39.78 40.72 1ba9 n ASN 53 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1ba9 n THR 54 N -2.69 2.13 -0.27 3.41 5.66 -1.26 -4.67 114.28 116.59 1ba9 n THR 54 Ca 0.00 -1.31 0.17 0.00 -3.05 0.00 0.00 64.05 59.85 1ba9 n THR 54 Cb 0.00 -2.08 0.45 0.00 -1.55 0.00 0.00 70.33 67.15 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 6.64 2.04 0.00 1.79 0.00 -1.96 0.19 119.26 127.96 1ba9 h ALA 55 Ca 0.44 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1ba9 h ALA 55 Cb 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ba9 h ALA 55 CO 1.45 -0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.77 1ba9 n GLY 56 N -1.47 -1.05 3.94 0.00 0.00 -1.26 -4.92 105.19 100.44 1ba9 n GLY 56 Ca 0.20 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.40 1.03 -0.31 0.00 5.66 -1.26 -4.86 114.28 110.14 1ba9 n THR 58 Ca -0.31 0.34 0.14 0.00 -3.05 0.00 0.00 64.05 61.17 1ba9 n THR 58 Cb 0.68 -1.43 0.37 0.00 -1.55 0.00 0.00 70.33 68.40 1ba9 n THR 58 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1ba9 h SER 59 N 0.00 0.69 -1.11 1.09 0.02 -1.91 -3.41 113.55 108.92 1ba9 h SER 59 Ca 0.00 0.07 -0.79 0.00 -0.84 0.00 0.00 61.79 60.22 1ba9 h SER 59 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1ba9 h SER 59 CO 0.00 0.29 0.91 0.00 -1.14 0.00 0.00 176.83 176.89 1ba9 n ALA 60 N -2.40 -0.52 -1.27 3.77 0.00 -1.26 -4.94 120.51 113.90 1ba9 n ALA 60 Ca 0.21 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1ba9 n ALA 60 Cb 0.56 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 4.68 0.84 0.00 0.00 0.00 -1.26 -4.95 105.19 104.50 1ba9 n GLY 61 Ca 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.89 -2.45 1.61 -0.04 -1.26 -4.64 135.00 129.10 1ba9 n PRO 62 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1ba9 n PRO 62 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 1ba9 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ba9 s HIS 63 N -0.09 3.52 -0.35 0.54 3.76 -1.26 -2.21 115.29 119.20 1ba9 s HIS 63 Ca 0.00 1.55 -0.41 0.00 -0.15 0.00 0.00 55.06 56.05 1ba9 s HIS 63 Cb 0.00 -3.34 -0.16 0.00 1.11 0.00 0.00 32.58 30.19 1ba9 s HIS 63 CO 0.00 -0.84 1.83 0.34 -0.85 0.00 0.00 174.74 175.22 1ba9 n PHE 64 N 2.16 1.85 -2.91 1.40 7.35 0.52 -4.74 117.46 123.09 1ba9 n PHE 64 Ca 0.02 0.63 -0.24 0.00 -0.76 0.00 0.00 57.45 57.10 1ba9 n PHE 64 Cb 0.45 -2.41 -0.03 0.00 0.35 0.00 0.00 39.48 37.84 1ba9 n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1ba9 n ASN 65 N 6.01 3.51 0.20 -2.13 5.15 -1.26 -2.90 115.26 123.84 1ba9 n ASN 65 Ca 0.32 -3.48 0.04 0.00 -0.60 0.00 0.00 54.58 50.87 1ba9 n ASN 65 Cb 0.09 -0.56 0.40 0.00 -0.53 0.00 0.00 39.78 39.18 1ba9 n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1ba9 h PRO 66 N 2.93 0.00 -0.07 1.20 0.13 -1.90 -3.10 132.00 131.18 1ba9 h PRO 66 Ca 0.13 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.13 1ba9 h PRO 66 Cb 0.71 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1ba9 h PRO 66 CO 0.73 0.35 -0.55 1.25 -0.23 0.00 0.00 178.00 179.55 1ba9 h LEU 67 N 0.00 0.23 -2.03 1.56 6.46 -1.89 -3.48 115.31 116.16 1ba9 h LEU 67 Ca -0.00 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 1ba9 h LEU 67 Cb 0.68 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1ba9 h LEU 67 CO 0.05 0.74 0.00 -1.20 -0.62 0.00 0.00 178.44 177.40 1ba9 n SER 68 N -3.91 -1.78 -4.45 1.25 7.64 -1.17 -5.10 113.62 106.10 1ba9 n SER 68 Ca -0.02 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.61 1ba9 n SER 68 Cb 0.58 -0.44 -0.11 0.00 -1.01 0.00 0.00 64.21 63.23 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 -3.28 1.61 0.99 1.43 0.52 -1.26 -5.09 118.95 113.87 1ba9 s ARG 69 Ca 0.00 -1.67 -0.15 0.00 -0.52 0.00 0.00 55.73 53.38 1ba9 s ARG 69 Cb 0.00 -1.78 0.19 0.00 0.52 0.00 0.00 34.95 33.88 1ba9 s ARG 69 CO 0.00 0.35 1.20 0.15 0.02 0.00 0.00 175.30 177.03 1ba9 s LYS 70 N -3.20 0.46 0.58 3.54 3.01 -1.26 -4.02 119.74 118.85 1ba9 s LYS 70 Ca 0.26 -0.07 -0.20 0.00 -1.01 0.00 0.00 55.97 54.95 1ba9 s LYS 70 Cb -0.06 -1.79 -0.04 0.00 -1.01 0.00 0.00 37.83 34.93 1ba9 s LYS 70 CO 0.13 -2.59 1.24 -1.58 0.51 0.00 0.00 175.35 173.06 1ba9 s HIS 71 N -3.47 2.39 0.00 3.18 5.65 -0.44 -2.37 115.29 120.23 1ba9 s HIS 71 Ca 0.69 1.49 0.00 0.00 0.25 0.00 0.00 55.06 57.49 1ba9 s HIS 71 Cb -0.09 -3.55 0.00 0.00 -1.18 0.00 0.00 32.58 27.76 1ba9 s HIS 71 CO 0.53 -2.34 0.00 0.41 -0.65 0.00 0.00 174.74 172.70 1ba9 n GLY 72 N 0.58 1.71 3.77 1.59 0.00 -1.18 -4.27 105.19 107.40 1ba9 n GLY 72 Ca 0.13 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.01 2.37 0.53 -0.02 0.00 -1.25 -4.60 107.32 104.34 1ba9 s GLY 73 Ca 0.00 -1.88 0.23 0.00 0.00 0.00 0.00 44.72 43.08 1ba9 s GLY 73 CO 0.00 -1.92 2.13 -0.56 0.00 0.00 0.00 173.10 172.75 1ba9 h PRO 74 N 1.30 0.00 -0.37 2.90 0.13 -1.89 -0.89 132.00 133.18 1ba9 h PRO 74 Ca -0.42 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 1ba9 h PRO 74 Cb 1.26 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 1ba9 h PRO 74 CO 0.67 0.08 0.03 1.63 -0.23 0.00 0.00 178.00 180.18 1ba9 n LYS 75 N -4.01 2.95 -2.32 0.86 5.02 -1.26 -4.99 118.16 114.42 1ba9 n LYS 75 Ca -0.03 -2.96 -0.25 0.00 -2.02 0.00 0.00 58.31 53.05 1ba9 n LYS 75 Cb 0.16 -1.92 0.05 0.00 -0.02 0.00 0.00 35.03 33.31 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 -1.85 5.10 0.05 4.39 1.01 -0.34 -5.01 116.67 120.01 1ba9 s ASP 76 Ca 0.45 0.47 -0.17 0.00 0.71 0.00 0.00 52.55 54.01 1ba9 s ASP 76 Cb 0.37 -1.25 -0.18 0.00 1.01 0.00 0.00 42.92 42.87 1ba9 s ASP 76 CO 0.08 -1.39 1.23 -0.33 0.21 0.00 0.00 175.17 174.98 1ba9 h GLU 77 N -0.39 0.56 -5.05 8.23 5.08 -1.94 -3.43 114.58 117.63 1ba9 h GLU 77 Ca -0.44 -0.46 -0.63 0.00 -1.00 0.00 0.00 59.36 56.82 1ba9 h GLU 77 Cb 1.30 0.10 -0.15 0.00 0.50 0.00 0.00 28.75 30.49 1ba9 h GLU 77 CO 0.59 1.09 -0.38 -1.21 -1.00 0.00 0.00 179.01 178.11 1ba9 s GLU 78 N -3.65 4.00 -0.28 2.33 8.01 -1.26 -5.02 118.70 122.83 1ba9 s GLU 78 Ca -0.12 -0.13 -0.17 0.00 0.01 0.00 0.00 54.97 54.55 1ba9 s GLU 78 Cb 0.06 -3.64 0.10 0.00 -4.31 0.00 0.00 34.13 26.34 1ba9 s GLU 78 CO 0.84 -0.19 0.81 -0.98 0.01 0.00 0.00 175.26 175.74 1ba9 s ARG 79 N 1.81 0.60 0.00 1.61 3.03 -1.00 -3.10 118.95 121.89 1ba9 s ARG 79 Ca 0.11 0.98 0.00 0.00 2.03 0.00 0.00 55.73 58.85 1ba9 s ARG 79 Cb -0.16 0.15 0.00 0.00 -1.03 0.00 0.00 34.95 33.91 1ba9 s ARG 79 CO 0.10 -0.12 0.69 0.72 -1.13 0.00 0.00 175.30 175.56 1ba9 n HIS 80 N 3.85 0.00 0.00 5.89 8.25 -1.00 -4.58 115.22 127.64 1ba9 n HIS 80 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1ba9 n HIS 80 Cb 0.58 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 -1.29 0.00 -0.54 1.59 0.31 -1.14 -4.15 118.33 113.10 1ba9 n VAL 81 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1ba9 n VAL 81 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 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 -0.38 2.79 2.97 2.92 0.00 -1.22 -4.71 105.19 107.56 1ba9 n GLY 82 Ca 0.00 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 1.26 5.46 -2.27 1.61 9.92 -1.26 -1.37 116.55 129.90 1ba9 n ASP 83 Ca 0.06 -3.17 -0.20 0.00 -0.53 0.00 0.00 54.79 50.94 1ba9 n ASP 83 Cb 0.52 -1.43 -0.11 0.00 -0.64 0.00 0.00 41.12 39.45 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 3.33 5.90 0.00 0.64 4.77 -1.15 -2.97 117.00 127.53 1ba9 n LEU 84 Ca 0.35 -3.64 0.00 0.00 -0.03 0.00 0.00 56.01 52.70 1ba9 n LEU 84 Cb 0.36 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1ba9 n LEU 84 CO 0.77 1.73 0.00 0.61 -1.33 0.00 0.00 177.39 179.16 1ba9 n GLY 85 N 1.74 1.13 3.10 -0.72 0.00 -1.25 -4.46 105.19 104.73 1ba9 n GLY 85 Ca 0.47 0.34 -0.07 0.00 0.00 0.00 0.00 46.02 46.75 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 -2.38 0.41 0.35 1.61 2.20 -1.26 -0.90 114.94 114.98 1ba9 s ASN 86 Ca 0.00 -0.91 0.09 0.00 -0.94 0.00 0.00 52.86 51.09 1ba9 s ASN 86 Cb 0.00 0.22 -0.05 0.00 -2.00 0.00 0.00 41.25 39.42 1ba9 s ASN 86 CO 0.00 -0.61 0.06 0.68 -2.94 0.00 0.00 177.10 174.29 1ba9 s VAL 87 N -3.79 2.62 -0.20 3.54 -7.23 0.19 -4.85 120.40 110.69 1ba9 s VAL 87 Ca 0.06 -1.89 -0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1ba9 s VAL 87 Cb 0.07 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 34.15 1ba9 s VAL 87 CO -0.10 -0.16 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.54 1ba9 s THR 88 N -2.52 2.87 0.08 5.32 2.01 -1.26 -0.14 115.64 121.99 1ba9 s THR 88 Ca 0.36 -0.66 -0.17 0.00 0.31 0.00 0.00 61.69 61.53 1ba9 s THR 88 Cb 0.01 -2.28 -0.07 0.00 0.01 0.00 0.00 72.50 70.17 1ba9 s THR 88 CO 0.20 0.47 0.53 0.00 -0.69 0.00 0.00 174.62 175.13 1ba9 s ALA 89 N 1.38 3.61 1.08 7.40 0.00 0.09 -4.16 121.76 131.16 1ba9 s ALA 89 Ca 0.05 -0.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.82 1ba9 s ALA 89 Cb -0.14 -2.56 0.23 0.00 0.00 0.00 0.00 23.12 20.66 1ba9 s ALA 89 CO -0.07 0.43 1.08 0.34 0.00 0.00 0.00 175.76 177.54 1ba9 s ASP 90 N -1.26 1.89 0.27 0.00 2.15 0.47 -1.04 116.67 119.16 1ba9 s ASP 90 Ca 0.30 1.15 0.21 0.00 0.43 0.00 0.00 52.55 54.64 1ba9 s ASP 90 Cb -0.18 -1.79 1.03 0.00 -0.30 0.00 0.00 42.92 41.67 1ba9 s ASP 90 CO 0.18 -3.58 1.64 2.29 -0.17 0.00 0.00 175.17 175.53 1ba9 n LYS 91 N -4.47 0.15 -0.11 4.34 -0.00 -1.26 -0.48 118.16 116.33 1ba9 n LYS 91 Ca 0.05 0.54 0.11 0.00 -0.00 0.00 0.00 58.31 59.01 1ba9 n LYS 91 Cb 0.57 -1.89 0.16 0.00 -0.00 0.00 0.00 35.03 33.87 1ba9 n LYS 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ba9 n ASP 92 N -2.19 3.10 -0.09 -5.58 9.92 -1.26 -4.84 116.55 115.61 1ba9 n ASP 92 Ca 0.00 -1.92 0.00 0.00 -0.53 0.00 0.00 54.79 52.34 1ba9 n ASP 92 Cb 0.11 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 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 1.27 0.63 3.17 0.44 0.00 0.37 -4.74 105.19 106.33 1ba9 n GLY 93 Ca 0.16 -0.76 -0.34 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 -2.18 2.53 -0.34 1.61 1.01 -1.26 -0.98 120.40 120.79 1ba9 s VAL 94 Ca 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 1ba9 s VAL 94 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1ba9 s VAL 94 CO 0.00 0.35 0.20 0.00 0.00 0.00 0.00 175.10 175.65 1ba9 s ALA 95 N 1.31 3.35 -0.73 5.51 0.00 -1.25 -0.40 121.76 129.56 1ba9 s ALA 95 Ca 0.02 -1.49 -0.23 0.00 0.00 0.00 0.00 51.96 50.26 1ba9 s ALA 95 Cb -0.15 -2.55 0.06 0.00 0.00 0.00 0.00 23.12 20.48 1ba9 s ALA 95 CO -0.08 -1.08 1.10 0.16 0.00 0.00 0.00 175.76 175.86 1ba9 s ASP 96 N 1.63 6.23 0.39 0.00 -4.77 -1.26 -1.09 116.67 117.80 1ba9 s ASP 96 Ca 0.04 -0.96 -0.24 0.00 -3.30 0.00 0.00 52.55 48.09 1ba9 s ASP 96 Cb -0.18 -2.47 -0.09 0.00 -1.09 0.00 0.00 42.92 39.10 1ba9 s ASP 96 CO 0.08 -1.52 1.05 -0.69 0.70 0.00 0.00 175.17 174.79 1ba9 s VAL 97 N 4.47 3.70 -0.35 2.11 1.01 0.12 -4.83 120.40 126.62 1ba9 s VAL 97 Ca 0.28 1.33 -0.03 0.00 0.00 0.00 0.00 61.98 63.55 1ba9 s VAL 97 Cb -0.12 -3.70 0.19 0.00 0.00 0.00 0.00 36.38 32.75 1ba9 s VAL 97 CO 0.09 0.03 0.90 -0.94 0.00 0.00 0.00 175.10 175.18 1ba9 s SER 98 N -1.51 -0.75 0.35 3.32 1.04 -1.25 -0.86 113.70 114.04 1ba9 s SER 98 Ca 0.57 -0.37 -0.01 0.00 0.48 0.00 0.00 55.95 56.62 1ba9 s SER 98 Cb -0.23 0.96 -0.00 0.00 0.10 0.00 0.00 66.02 66.85 1ba9 s SER 98 CO 0.29 -0.08 0.45 -0.51 0.98 0.00 0.00 173.24 174.37 1ba9 s ILE 99 N 1.93 0.00 0.06 -1.02 2.07 0.35 -5.00 121.20 119.60 1ba9 s ILE 99 Ca 0.15 -1.66 -0.12 0.00 -1.41 0.00 0.00 60.65 57.62 1ba9 s ILE 99 Cb 0.01 -2.64 0.01 0.00 0.13 0.00 0.00 42.46 39.97 1ba9 s ILE 99 CO -0.12 0.00 0.26 -1.83 -1.91 0.00 0.00 174.94 171.34 1ba9 s GLU 100 N -3.05 0.81 0.09 3.50 -1.05 -1.26 -0.65 118.70 117.10 1ba9 s GLU 100 Ca 0.32 -0.66 -0.05 0.00 -0.15 0.00 0.00 54.97 54.43 1ba9 s GLU 100 Cb -0.00 0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 34.01 1ba9 s GLU 100 CO 0.22 -0.26 0.11 0.34 0.95 0.00 0.00 175.26 176.62 1ba9 s ASP 101 N -2.32 0.26 -0.00 0.83 -1.08 -0.54 -4.98 116.67 108.84 1ba9 s ASP 101 Ca -0.02 -0.88 0.05 0.00 -0.52 0.00 0.00 52.55 51.17 1ba9 s ASP 101 Cb 0.01 0.30 -0.06 0.00 -1.46 0.00 0.00 42.92 41.71 1ba9 s ASP 101 CO -0.06 -0.71 0.16 -1.54 0.52 0.00 0.00 175.17 173.54 1ba9 n SER 102 N -0.03 1.57 -0.09 -0.34 3.41 -1.26 -0.33 113.62 116.55 1ba9 n SER 102 Ca -0.12 -0.38 -0.21 0.00 -0.26 0.00 0.00 58.87 57.90 1ba9 n SER 102 Cb 0.62 1.08 -0.12 0.00 -0.26 0.00 0.00 64.21 65.53 1ba9 n SER 102 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1ba9 h VAL 103 N 0.00 1.06 -4.32 -3.33 2.07 -1.98 -3.47 116.25 106.29 1ba9 h VAL 103 Ca 0.00 -2.22 -0.50 0.00 0.82 0.00 0.00 66.70 64.80 1ba9 h VAL 103 Cb 0.14 2.44 0.10 0.00 -1.52 0.00 0.00 31.29 32.46 1ba9 h VAL 103 CO 0.00 0.38 0.36 0.27 0.02 0.00 0.00 177.57 178.60 1ba9 s ILE 104 N -2.35 3.70 0.29 4.57 -5.25 -1.26 -4.86 121.20 116.05 1ba9 s ILE 104 Ca -0.27 0.55 -0.07 0.00 -0.99 0.00 0.00 60.65 59.87 1ba9 s ILE 104 Cb 0.04 -3.29 0.03 0.00 2.95 0.00 0.00 42.46 42.20 1ba9 s ILE 104 CO 0.62 -0.72 0.51 -1.20 -1.79 0.00 0.00 174.94 172.36 1ba9 n SER 105 N -3.24 -1.47 -1.86 4.36 7.64 -1.11 -4.68 113.62 113.25 1ba9 n SER 105 Ca 0.07 -2.30 0.04 0.00 1.01 0.00 0.00 58.87 57.69 1ba9 n SER 105 Cb 0.54 2.54 0.36 0.00 -1.01 0.00 0.00 64.21 66.64 1ba9 n SER 105 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ba9 n LEU 106 N 0.00 5.62 0.00 -3.43 4.32 -1.26 -0.62 117.00 121.63 1ba9 n LEU 106 Ca -0.04 -2.87 0.00 0.00 -0.02 0.00 0.00 56.01 53.08 1ba9 n LEU 106 Cb 0.45 -0.69 0.00 0.00 -1.62 0.00 0.00 43.42 41.56 1ba9 n LEU 106 CO 0.21 0.65 0.00 -1.54 -1.22 0.00 0.00 177.39 175.50 1ba9 n SER 107 N 0.42 0.00 0.00 -1.43 3.41 -1.26 -4.71 113.62 110.05 1ba9 n SER 107 Ca 0.30 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 1ba9 n SER 107 Cb 1.20 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 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 2.27 1.79 5.00 0.00 -1.26 -3.31 105.19 109.68 1ba9 n GLY 108 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 4.18 -1.19 -1.36 1.61 8.00 -1.26 -4.95 116.55 121.57 1ba9 n ASP 109 Ca 0.00 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1ba9 n ASP 109 Cb 0.00 1.42 0.00 0.00 -0.02 0.00 0.00 41.12 42.52 1ba9 n ASP 109 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1ba9 n HIS 110 N -2.74 0.00 -1.54 1.24 8.25 -1.22 -4.86 115.22 114.34 1ba9 n HIS 110 Ca 0.00 -0.35 -0.42 0.00 -0.26 0.00 0.00 57.72 56.69 1ba9 n HIS 110 Cb 0.00 -0.27 -0.05 0.00 1.12 0.00 0.00 29.99 30.80 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 1.24 2.47 0.26 0.41 2.88 -1.21 -2.75 113.62 116.93 1ba9 n SER 111 Ca 0.00 -0.04 0.15 0.00 -1.33 0.00 0.00 58.87 57.64 1ba9 n SER 111 Cb 0.24 -1.47 0.67 0.00 -0.75 0.00 0.00 64.21 62.90 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 7.42 0.26 -2.03 2.46 3.07 -1.15 -3.42 117.51 124.13 1ba9 h ILE 112 Ca -0.29 -0.65 -0.59 0.00 1.55 0.00 0.00 64.86 64.88 1ba9 h ILE 112 Cb 1.27 1.51 0.01 0.00 -0.27 0.00 0.00 36.82 39.35 1ba9 h ILE 112 CO 1.08 0.09 1.27 -0.38 -1.05 0.00 0.00 178.15 179.16 1ba9 n ILE 113 N -3.28 0.55 0.00 0.16 2.08 -1.26 -0.69 119.36 116.92 1ba9 n ILE 113 Ca -0.00 -0.22 0.00 0.00 0.56 0.00 0.00 62.75 63.09 1ba9 n ILE 113 Cb 0.31 -2.17 0.00 0.00 -0.75 0.00 0.00 39.64 37.03 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 5.00 1.83 3.77 7.39 0.00 0.67 -5.01 105.19 118.84 1ba9 n GLY 114 Ca 0.25 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 2.44 -0.55 1.61 1.81 0.13 -4.27 118.95 120.12 1ba9 s ARG 115 Ca 0.00 1.22 -0.23 0.00 -1.72 0.00 0.00 55.73 55.00 1ba9 s ARG 115 Cb 0.00 -1.92 0.05 0.00 -0.45 0.00 0.00 34.95 32.63 1ba9 s ARG 115 CO 0.00 -1.51 0.86 0.99 -0.68 0.00 0.00 175.30 174.96 1ba9 s THR 116 N -2.76 4.51 0.06 0.02 2.01 -1.22 -0.90 115.64 117.37 1ba9 s THR 116 Ca 0.63 0.03 -0.26 0.00 0.31 0.00 0.00 61.69 62.40 1ba9 s THR 116 Cb -0.18 -4.49 -0.06 0.00 0.01 0.00 0.00 72.50 67.79 1ba9 s THR 116 CO 0.52 -1.06 0.81 -0.22 -0.69 0.00 0.00 174.62 173.98 1ba9 s LEU 117 N 3.62 4.47 -0.01 4.42 2.96 0.75 -0.16 118.68 134.73 1ba9 s LEU 117 Ca 0.26 1.54 -0.05 0.00 -0.22 0.00 0.00 54.13 55.66 1ba9 s LEU 117 Cb -0.15 -3.32 -0.00 0.00 0.50 0.00 0.00 46.19 43.23 1ba9 s LEU 117 CO 0.17 0.00 0.09 -0.69 -1.32 0.00 0.00 176.35 174.60 1ba9 s VAL 118 N -0.09 0.06 0.51 1.68 1.01 0.19 -0.10 120.40 123.67 1ba9 s VAL 118 Ca 0.40 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.93 1ba9 s VAL 118 Cb -0.21 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 35.89 1ba9 s VAL 118 CO 0.25 -0.29 0.47 0.68 0.00 0.00 0.00 175.10 176.21 1ba9 s VAL 119 N -0.95 2.03 0.07 2.92 -7.23 -0.63 -1.04 120.40 115.58 1ba9 s VAL 119 Ca -0.10 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 1ba9 s VAL 119 Cb -0.06 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 1ba9 s VAL 119 CO 0.01 0.00 -0.05 -1.00 -0.31 0.00 0.00 175.10 173.75 1ba9 s HIS 120 N -2.67 0.68 0.01 2.82 3.76 0.61 -3.63 115.29 116.87 1ba9 s HIS 120 Ca 0.43 -1.00 -0.14 0.00 -0.15 0.00 0.00 55.06 54.20 1ba9 s HIS 120 Cb -0.03 -0.44 -0.08 0.00 1.11 0.00 0.00 32.58 33.14 1ba9 s HIS 120 CO 0.27 -0.28 0.91 1.49 -0.85 0.00 0.00 174.74 176.27 1ba9 h GLU 121 N 3.08 -0.49 -7.71 1.40 4.22 -0.89 -3.31 114.58 110.87 1ba9 h GLU 121 Ca -0.35 0.03 -0.46 0.00 0.08 0.00 0.00 59.36 58.67 1ba9 h GLU 121 Cb 1.15 0.11 0.13 0.00 0.50 0.00 0.00 28.75 30.64 1ba9 h GLU 121 CO 0.65 -0.33 0.41 0.15 -2.18 0.00 0.00 179.01 177.72 1ba9 s LYS 122 N -3.59 1.29 0.68 1.92 -0.14 0.10 -4.49 119.74 115.51 1ba9 s LYS 122 Ca -0.07 -0.18 -0.15 0.00 -1.36 0.00 0.00 55.97 54.21 1ba9 s LYS 122 Cb 0.01 -1.91 0.01 0.00 -1.68 0.00 0.00 37.83 34.26 1ba9 s LYS 122 CO 0.22 -2.00 1.12 0.00 -0.76 0.00 0.00 175.35 173.93 1ba9 s ALA 123 N -3.73 2.40 -0.38 5.17 0.00 -0.95 -1.32 121.76 122.96 1ba9 s ALA 123 Ca 0.68 0.56 -0.27 0.00 0.00 0.00 0.00 51.96 52.93 1ba9 s ALA 123 Cb -0.07 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.73 1ba9 s ALA 123 CO 0.51 -1.39 1.01 0.34 0.00 0.00 0.00 175.76 176.22 1ba9 s ASP 124 N -2.59 6.74 0.00 0.00 -1.08 -1.26 -3.68 116.67 114.80 1ba9 s ASP 124 Ca 0.67 0.68 0.08 0.00 -0.52 0.00 0.00 52.55 53.46 1ba9 s ASP 124 Cb -0.21 -2.50 0.47 0.00 -1.46 0.00 0.00 42.92 39.21 1ba9 s ASP 124 CO 0.43 -0.95 1.01 0.47 0.52 0.00 0.00 175.17 176.65 1ba9 n ASP 125 N 7.02 0.00 -4.24 -0.34 8.00 0.33 -4.78 116.55 122.55 1ba9 n ASP 125 Ca 0.09 -1.03 -0.36 0.00 0.71 0.00 0.00 54.79 54.20 1ba9 n ASP 125 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 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 -0.69 -1.64 0.00 0.64 4.77 -1.26 -0.85 117.00 117.97 1ba9 n LEU 126 Ca 0.06 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 1ba9 n LEU 126 Cb 0.03 -2.03 0.00 0.00 -2.33 0.00 0.00 43.42 39.08 1ba9 n LEU 126 CO 0.04 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1ba9 n GLY 127 N -1.44 0.32 0.00 -0.72 0.00 -1.25 -4.25 105.19 97.85 1ba9 n GLY 127 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.38 0.10 0.00 1.61 4.76 -0.03 -3.37 118.16 119.84 1ba9 n LYS 128 Ca 0.00 0.14 0.08 0.00 -2.87 0.00 0.00 58.31 55.66 1ba9 n LYS 128 Cb 0.14 -1.50 0.39 0.00 -1.84 0.00 0.00 35.03 32.21 1ba9 n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ba9 n GLY 129 N 0.47 -0.88 2.95 0.72 0.00 -1.26 -4.88 105.19 102.31 1ba9 n GLY 129 Ca 0.06 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1ba9 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba9 n GLY 130 N 0.10 -0.52 3.11 -0.02 0.00 -1.22 -4.98 105.19 101.66 1ba9 n GLY 130 Ca 0.07 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1ba9 n GLY 130 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ba9 s ASN 131 N -2.63 0.94 0.05 1.61 2.47 -1.26 -5.03 114.94 111.09 1ba9 s ASN 131 Ca 0.27 -0.80 -0.34 0.00 0.42 0.00 0.00 52.86 52.41 1ba9 s ASN 131 Cb -0.12 0.08 -0.19 0.00 -1.45 0.00 0.00 41.25 39.57 1ba9 s ASN 131 CO 0.33 -0.37 1.51 -0.08 -3.72 0.00 0.00 177.10 174.78 1ba9 h GLU 132 N 3.66 -1.07 -0.95 0.43 4.22 -1.96 0.28 114.58 119.18 1ba9 h GLU 132 Ca -0.35 0.07 0.24 0.00 0.08 0.00 0.00 59.36 59.40 1ba9 h GLU 132 Cb 1.18 0.24 -0.13 0.00 0.50 0.00 0.00 28.75 30.55 1ba9 h GLU 132 CO 0.54 -0.71 0.50 0.37 -2.18 0.00 0.00 179.01 177.53 1ba9 h GLN 133 N -1.17 0.46 0.49 1.92 -0.00 -1.98 0.36 115.11 115.19 1ba9 h GLN 133 Ca -0.11 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.48 1ba9 h GLN 133 Cb 0.86 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.24 1ba9 h GLN 133 CO 0.19 0.30 -0.24 0.66 0.00 0.00 0.00 178.83 179.75 1ba9 h SER 134 N 0.47 -0.56 0.24 -0.69 4.64 -1.84 0.44 113.55 116.25 1ba9 h SER 134 Ca 0.61 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1ba9 h SER 134 Cb 1.18 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1ba9 h SER 134 CO -0.51 -0.19 0.00 0.35 -0.87 0.00 0.00 176.83 175.61 1ba9 n THR 135 N -5.26 0.57 -0.09 2.95 -2.24 0.96 0.31 114.28 111.48 1ba9 n THR 135 Ca -0.11 0.14 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1ba9 n THR 135 Cb 0.31 -0.91 -0.10 0.00 -2.10 0.00 0.00 70.33 67.53 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 -1.26 0.95 0.00 -0.78 4.81 0.11 -1.33 118.16 120.66 1ba9 n LYS 136 Ca 0.07 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1ba9 n LYS 136 Cb 0.11 -1.38 0.00 0.00 0.02 0.00 0.00 35.03 33.78 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 -2.84 0.00 0.00 3.15 -2.24 0.15 -4.29 114.28 108.22 1ba9 n THR 137 Ca -0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1ba9 n THR 137 Cb 0.91 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 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 0.68 1.27 2.56 3.38 0.00 0.15 -4.35 105.19 108.88 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 -2.01 0.00 0.00 0.00 173.32 171.31 1ba9 n ASN 139 N 0.00 -5.09 0.00 1.61 2.85 -1.22 -0.51 115.26 112.90 1ba9 n ASN 139 Ca 0.00 0.30 0.10 0.00 -0.11 0.00 0.00 54.58 54.87 1ba9 n ASN 139 Cb 0.00 -3.64 0.53 0.00 1.24 0.00 0.00 39.78 37.91 1ba9 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ba9 n ALA 140 N 1.22 2.11 -0.46 5.20 0.00 -1.24 -4.72 120.51 122.63 1ba9 n ALA 140 Ca -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1ba9 n ALA 140 Cb 0.50 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.37 -0.30 3.64 0.00 0.00 -1.26 0.02 105.19 107.65 1ba9 n GLY 141 Ca 0.11 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 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 1.67 -0.61 1.61 0.15 -1.26 -4.62 113.70 106.64 1ba9 s SER 142 Ca 0.00 0.83 -0.16 0.00 0.70 0.00 0.00 55.95 57.31 1ba9 s SER 142 Cb 0.00 -1.23 0.14 0.00 -1.71 0.00 0.00 66.02 63.22 1ba9 s SER 142 CO 0.00 -3.68 0.60 -0.13 1.20 0.00 0.00 173.24 171.23 1ba9 s ARG 143 N -5.25 3.11 0.29 5.44 0.52 -1.26 -1.29 118.95 120.51 1ba9 s ARG 143 Ca 0.69 -1.75 -0.01 0.00 -0.52 0.00 0.00 55.73 54.14 1ba9 s ARG 143 Cb -0.13 -4.33 0.47 0.00 0.52 0.00 0.00 34.95 31.48 1ba9 s ARG 143 CO 0.56 -1.38 1.91 -0.07 0.02 0.00 0.00 175.30 176.35 1ba9 h LEU 144 N 8.97 0.96 -7.30 2.53 -0.00 -1.85 -3.45 115.31 115.17 1ba9 h LEU 144 Ca -0.22 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.57 1ba9 h LEU 144 Cb 1.09 -0.21 -0.18 0.00 -0.00 0.00 0.00 40.66 41.36 1ba9 h LEU 144 CO 1.01 0.63 -0.07 0.00 -0.00 0.00 0.00 178.44 180.01 1ba9 s ALA 145 N -5.96 -1.17 0.17 1.53 0.00 -1.26 -3.97 121.76 111.10 1ba9 s ALA 145 Ca -0.12 0.61 0.05 0.00 0.00 0.00 0.00 51.96 52.50 1ba9 s ALA 145 Cb 0.20 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.44 1ba9 s ALA 145 CO 0.80 -0.37 -0.09 0.00 0.00 0.00 0.00 175.76 176.10 1ba9 s GLY 147 N -3.21 0.07 -0.02 0.00 0.00 0.86 -0.47 107.32 104.55 1ba9 s GLY 147 Ca 0.19 -0.42 0.07 0.00 0.00 0.00 0.00 44.72 44.57 1ba9 s GLY 147 CO 0.03 0.05 -0.24 0.54 0.00 0.00 0.00 173.10 173.47 1ba9 s VAL 148 N -3.11 1.93 -0.13 1.40 0.11 -1.26 -0.18 120.40 119.16 1ba9 s VAL 148 Ca 0.14 -1.04 -0.26 0.00 -2.93 0.00 0.00 61.98 57.89 1ba9 s VAL 148 Cb -0.05 -1.61 -0.02 0.00 -1.53 0.00 0.00 36.38 33.17 1ba9 s VAL 148 CO 0.08 0.55 0.83 -0.63 -3.33 0.00 0.00 175.10 172.59 1ba9 s ILE 149 N -0.51 4.91 0.31 7.04 1.01 -0.07 -4.16 121.20 129.72 1ba9 s ILE 149 Ca 0.08 1.65 -0.01 0.00 0.00 0.00 0.00 60.65 62.37 1ba9 s ILE 149 Cb -0.10 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.23 1ba9 s ILE 149 CO -0.00 0.08 0.42 0.61 0.00 0.00 0.00 174.94 176.05 1ba9 n GLY 150 N 3.33 2.27 3.77 6.18 0.00 0.02 -0.24 105.19 120.52 1ba9 n GLY 150 Ca 0.04 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 1ba9 n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ba9 s ILE 151 N -2.80 2.51 -0.12 -0.61 1.09 -1.26 -0.17 121.20 119.84 1ba9 s ILE 151 Ca 0.26 0.51 -0.05 0.00 -1.10 0.00 0.00 60.65 60.27 1ba9 s ILE 151 Cb -0.01 -3.33 -0.19 0.00 -1.06 0.00 0.00 42.46 37.88 1ba9 s ILE 151 CO 0.19 0.12 3.41 0.00 -0.10 0.00 0.00 174.94 178.56 1ba9 n ALA 152 N 0.69 6.40 0.00 9.38 0.00 -1.18 -4.44 120.51 131.36 1ba9 n ALA 152 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 53.44 51.30 1ba9 n ALA 152 Cb 0.41 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1ba9 n ALA 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54