#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba9 s THR 2 N 0.00 3.99 -0.38 0.00 -4.23 -1.26 -4.85 115.64 108.91 1ba9 s THR 2 Ca 0.00 -1.39 0.03 0.00 -1.18 0.00 0.00 61.69 59.16 1ba9 s THR 2 Cb 0.00 -5.06 0.11 0.00 1.34 0.00 0.00 72.50 68.89 1ba9 s THR 2 CO 0.00 -1.89 0.11 -0.54 -0.54 0.00 0.00 174.62 171.76 1ba9 s LYS 3 N 4.75 1.49 0.29 3.99 3.01 -1.26 -4.23 119.74 127.77 1ba9 s LYS 3 Ca 0.53 -1.95 0.07 0.00 -1.01 0.00 0.00 55.97 53.61 1ba9 s LYS 3 Cb 0.02 -3.05 -0.03 0.00 -1.01 0.00 0.00 37.83 33.76 1ba9 s LYS 3 CO 0.02 -0.99 0.22 0.00 0.51 0.00 0.00 175.35 175.10 1ba9 s ALA 4 N 0.71 3.66 -0.01 5.17 0.00 -0.43 -0.62 121.76 130.24 1ba9 s ALA 4 Ca 0.12 -1.54 -0.12 0.00 0.00 0.00 0.00 51.96 50.42 1ba9 s ALA 4 Cb -0.21 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.73 1ba9 s ALA 4 CO -0.08 0.15 0.25 0.54 0.00 0.00 0.00 175.76 176.62 1ba9 s VAL 5 N -2.22 0.07 -0.09 0.00 0.11 0.68 -0.74 120.40 118.20 1ba9 s VAL 5 Ca 0.36 -0.57 -0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1ba9 s VAL 5 Cb -0.07 -0.57 0.02 0.00 -1.53 0.00 0.00 36.38 34.24 1ba9 s VAL 5 CO 0.25 -0.31 -0.06 0.00 -3.33 0.00 0.00 175.10 171.65 1ba9 s ALA 6 N -1.41 1.13 -0.85 1.54 0.00 -0.78 -1.05 121.76 120.34 1ba9 s ALA 6 Ca -0.14 -0.40 -0.23 0.00 0.00 0.00 0.00 51.96 51.20 1ba9 s ALA 6 Cb -0.06 -0.80 0.07 0.00 0.00 0.00 0.00 23.12 22.33 1ba9 s ALA 6 CO 0.03 -0.34 1.22 0.14 0.00 0.00 0.00 175.76 176.81 1ba9 s VAL 7 N 1.60 4.18 -0.38 0.00 -7.23 -1.26 -0.67 120.40 116.65 1ba9 s VAL 7 Ca 0.02 -0.63 -0.27 0.00 -1.81 0.00 0.00 61.98 59.28 1ba9 s VAL 7 Cb -0.13 -4.87 -0.04 0.00 0.56 0.00 0.00 36.38 31.90 1ba9 s VAL 7 CO -0.06 -1.70 2.05 -0.76 -0.31 0.00 0.00 175.10 174.32 1ba9 s LEU 8 N 4.33 3.43 0.06 1.32 1.02 0.89 -4.32 118.68 125.41 1ba9 s LEU 8 Ca 0.35 1.27 0.09 0.00 0.02 0.00 0.00 54.13 55.86 1ba9 s LEU 8 Cb -0.07 -3.15 -0.03 0.00 0.02 0.00 0.00 46.19 42.96 1ba9 s LEU 8 CO 0.00 -2.12 -0.25 -0.75 0.02 0.00 0.00 176.35 173.25 1ba9 s LYS 9 N 6.60 1.81 0.00 1.70 2.20 -0.11 0.10 119.74 132.04 1ba9 s LYS 9 Ca 0.87 -1.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 1ba9 s LYS 9 Cb -0.23 -2.02 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 1ba9 s LYS 9 CO 0.30 0.51 0.00 0.41 -0.36 0.00 0.00 175.35 176.21 1ba9 n GLY 10 N 1.61 7.34 0.24 5.54 0.00 -1.12 -0.65 105.19 118.15 1ba9 n GLY 10 Ca -0.17 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 43.77 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 0.76 -2.86 1.61 3.58 -1.88 -3.45 116.42 114.18 1ba9 h ASP 11 Ca 0.00 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1ba9 h ASP 11 Cb 0.00 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.85 1ba9 h ASP 11 CO 0.00 0.83 0.00 0.61 -2.88 0.00 0.00 179.24 177.80 1ba9 n GLY 12 N -0.53 0.71 0.46 -0.78 0.00 -1.26 -4.96 105.19 98.84 1ba9 n GLY 12 Ca 0.01 -1.93 0.01 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.83 1.35 -1.66 1.61 -0.04 -1.26 -4.80 135.00 129.38 1ba9 n PRO 13 Ca 0.00 -0.34 -0.43 0.00 -0.04 0.00 0.00 63.50 62.69 1ba9 n PRO 13 Cb 0.00 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.05 1ba9 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ba9 s VAL 14 N -1.47 3.05 -0.03 0.52 1.01 -1.26 -4.71 120.40 117.51 1ba9 s VAL 14 Ca 0.06 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1ba9 s VAL 14 Cb 0.04 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1ba9 s VAL 14 CO 0.03 -0.03 -0.20 0.00 0.00 0.00 0.00 175.10 174.90 1ba9 s GLN 15 N 5.71 1.86 -0.13 2.72 -2.07 -0.17 -2.79 119.66 124.79 1ba9 s GLN 15 Ca 0.95 -0.71 -0.03 0.00 -1.82 0.00 0.00 55.36 53.74 1ba9 s GLN 15 Cb -0.35 -1.68 0.05 0.00 -1.09 0.00 0.00 33.01 29.94 1ba9 s GLN 15 CO 0.37 0.35 0.07 0.20 -1.32 0.00 0.00 175.29 174.96 1ba9 s GLY 16 N -0.23 0.37 -0.78 2.60 0.00 0.12 0.73 107.32 110.13 1ba9 s GLY 16 Ca 0.01 -0.20 -0.23 0.00 0.00 0.00 0.00 44.72 44.31 1ba9 s GLY 16 CO 0.01 1.53 1.13 -0.42 0.00 0.00 0.00 173.10 175.36 1ba9 s ILE 17 N 2.09 4.22 0.40 0.90 1.09 -1.17 -0.08 121.20 128.65 1ba9 s ILE 17 Ca 0.03 -0.49 -0.20 0.00 -1.10 0.00 0.00 60.65 58.89 1ba9 s ILE 17 Cb -0.15 -4.81 -0.10 0.00 -1.06 0.00 0.00 42.46 36.34 1ba9 s ILE 17 CO -0.07 -1.62 0.90 -0.63 -0.10 0.00 0.00 174.94 173.42 1ba9 s ILE 18 N 4.28 4.45 0.01 2.92 -1.09 0.16 -2.78 121.20 129.15 1ba9 s ILE 18 Ca 0.30 1.38 0.04 0.00 -2.23 0.00 0.00 60.65 60.14 1ba9 s ILE 18 Cb -0.10 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1ba9 s ILE 18 CO 0.05 -0.25 -0.12 0.20 -1.23 0.00 0.00 174.94 173.58 1ba9 s ASN 19 N -2.16 1.38 -0.05 3.58 -0.87 0.75 -1.87 114.94 115.71 1ba9 s ASN 19 Ca 0.59 -0.31 0.04 0.00 -1.57 0.00 0.00 52.86 51.61 1ba9 s ASN 19 Cb -0.10 -0.12 0.00 0.00 -0.02 0.00 0.00 41.25 41.01 1ba9 s ASN 19 CO 0.15 0.08 -0.16 -0.36 -2.57 0.00 0.00 177.10 174.24 1ba9 s PHE 20 N -0.53 1.62 0.19 2.20 0.40 0.08 -1.39 117.98 120.55 1ba9 s PHE 20 Ca 0.02 -0.49 0.10 0.00 -0.60 0.00 0.00 56.93 55.96 1ba9 s PHE 20 Cb -0.06 -1.11 -0.04 0.00 0.51 0.00 0.00 43.02 42.32 1ba9 s PHE 20 CO 0.00 -0.18 -0.20 -2.00 0.70 0.00 0.00 175.22 173.54 1ba9 s GLU 21 N 0.16 1.39 0.17 0.44 2.12 -0.42 -1.31 118.70 121.26 1ba9 s GLU 21 Ca -0.06 -1.49 0.00 0.00 0.36 0.00 0.00 54.97 53.78 1ba9 s GLU 21 Cb -0.12 -1.51 0.00 0.00 0.26 0.00 0.00 34.13 32.76 1ba9 s GLU 21 CO 0.02 0.31 0.00 0.94 -0.54 0.00 0.00 175.26 175.99 1ba9 n GLN 22 N 0.14 0.00 0.00 4.30 0.00 -1.26 -0.81 117.38 119.75 1ba9 n GLN 22 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.88 1ba9 n GLN 22 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 30.24 30.71 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1ba9 n LYS 23 N -3.19 0.00 -2.02 3.69 4.81 -1.26 -4.81 118.16 115.38 1ba9 n LYS 23 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 1ba9 n LYS 23 Cb 0.04 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.14 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 2.55 -0.01 1.64 0.41 -1.26 -4.90 118.70 117.13 1ba9 s GLU 24 Ca 0.00 0.20 0.01 0.00 -0.41 0.00 0.00 54.97 54.77 1ba9 s GLU 24 Cb 0.00 -2.06 -0.26 0.00 -1.78 0.00 0.00 34.13 30.03 1ba9 s GLU 24 CO 0.00 -1.15 0.79 0.77 -0.49 0.00 0.00 175.26 175.18 1ba9 h SER 25 N -0.67 0.27 -0.84 -0.19 0.02 -2.01 -3.39 113.55 106.73 1ba9 h SER 25 Ca -0.45 -0.42 -0.39 0.00 -0.84 0.00 0.00 61.79 59.69 1ba9 h SER 25 Cb 1.28 -0.09 -0.41 0.00 0.14 0.00 0.00 62.40 63.33 1ba9 h SER 25 CO 0.63 1.36 -1.03 0.59 -1.14 0.00 0.00 176.83 177.24 1ba9 n ASN 26 N -3.35 2.62 -3.25 3.07 3.02 -1.26 -4.61 115.26 111.50 1ba9 n ASN 26 Ca -0.17 -2.81 -0.09 0.00 -0.03 0.00 0.00 54.58 51.48 1ba9 n ASN 26 Cb 1.04 -0.47 0.03 0.00 -0.61 0.00 0.00 39.78 39.77 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 -0.43 1.67 3.72 7.41 0.00 -1.26 -5.08 105.19 111.22 1ba9 n GLY 27 Ca 0.19 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 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 -3.25 4.50 0.46 1.61 0.04 -1.26 -4.85 135.00 132.25 1ba9 s PRO 28 Ca 0.27 1.75 -0.22 0.00 0.04 0.00 0.00 61.00 62.83 1ba9 s PRO 28 Cb -0.02 -3.32 -0.08 0.00 0.04 0.00 0.00 34.50 31.13 1ba9 s PRO 28 CO 0.17 -0.12 1.12 0.08 0.04 0.00 0.00 177.00 178.30 1ba9 s VAL 29 N 0.52 3.31 -0.27 -0.36 1.01 0.63 -4.70 120.40 120.55 1ba9 s VAL 29 Ca 0.55 0.95 -0.08 0.00 0.00 0.00 0.00 61.98 63.40 1ba9 s VAL 29 Cb -0.29 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1ba9 s VAL 29 CO 0.32 -0.05 0.09 -0.54 0.00 0.00 0.00 175.10 174.92 1ba9 s LYS 30 N -2.78 3.51 -0.19 2.72 -0.14 0.01 -1.65 119.74 121.22 1ba9 s LYS 30 Ca 0.64 -0.58 -0.09 0.00 -1.36 0.00 0.00 55.97 54.57 1ba9 s LYS 30 Cb -0.25 -3.39 -0.05 0.00 -1.68 0.00 0.00 37.83 32.46 1ba9 s LYS 30 CO 0.31 -0.28 0.11 0.08 -0.76 0.00 0.00 175.35 174.81 1ba9 s VAL 31 N 1.60 5.25 0.21 3.17 1.01 0.54 -1.29 120.40 130.89 1ba9 s VAL 31 Ca 0.05 0.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.01 1ba9 s VAL 31 Cb -0.16 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1ba9 s VAL 31 CO 0.04 0.46 0.51 -1.66 0.00 0.00 0.00 175.10 174.45 1ba9 s TRP 32 N 0.25 0.04 -0.08 5.22 -2.14 -0.48 -0.74 118.94 121.00 1ba9 s TRP 32 Ca 0.07 -0.40 0.00 0.00 2.66 0.00 0.00 56.10 58.43 1ba9 s TRP 32 Cb -0.11 0.33 0.00 0.00 -3.10 0.00 0.00 33.47 30.59 1ba9 s TRP 32 CO -0.01 -0.95 0.00 0.41 -2.66 0.00 0.00 176.95 173.74 1ba9 n GLY 33 N -0.35 -1.22 3.15 3.67 0.00 0.03 -0.18 105.19 110.30 1ba9 n GLY 33 Ca -0.07 -0.84 0.04 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.28 -1.59 0.84 1.61 1.04 -1.12 -0.54 113.70 110.66 1ba9 s SER 34 Ca 0.00 0.20 -0.11 0.00 0.48 0.00 0.00 55.95 56.52 1ba9 s SER 34 Cb 0.00 2.01 0.10 0.00 0.10 0.00 0.00 66.02 68.23 1ba9 s SER 34 CO 0.00 -0.29 1.09 -0.63 0.98 0.00 0.00 173.24 174.39 1ba9 s ILE 35 N 2.84 2.93 -0.27 -1.02 1.09 -0.19 -3.06 121.20 123.52 1ba9 s ILE 35 Ca 0.11 0.30 -0.01 0.00 -1.10 0.00 0.00 60.65 59.95 1ba9 s ILE 35 Cb -0.10 -2.75 0.13 0.00 -1.06 0.00 0.00 42.46 38.69 1ba9 s ILE 35 CO -0.26 -0.40 0.30 -0.75 -0.10 0.00 0.00 174.94 173.74 1ba9 s LYS 36 N -4.89 0.31 0.00 2.79 2.20 0.22 -3.99 119.74 116.38 1ba9 s LYS 36 Ca 0.63 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 1ba9 s LYS 36 Cb -0.18 -0.71 0.00 0.00 -1.51 0.00 0.00 37.83 35.43 1ba9 s LYS 36 CO 0.57 -0.91 0.00 0.41 -0.36 0.00 0.00 175.35 175.06 1ba9 n GLY 37 N 5.32 -0.50 0.20 5.54 0.00 -0.38 -1.00 105.19 114.38 1ba9 n GLY 37 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 1ba9 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ba9 n LEU 38 N 0.00 0.00 -4.21 0.99 4.32 -0.55 -4.74 117.00 112.81 1ba9 n LEU 38 Ca 0.00 -0.07 -0.16 0.00 -0.02 0.00 0.00 56.01 55.76 1ba9 n LEU 38 Cb 0.00 -0.06 -0.11 0.00 -1.62 0.00 0.00 43.42 41.63 1ba9 n LEU 38 CO 0.00 -1.04 -0.43 0.28 -1.22 0.00 0.00 177.39 174.97 1ba9 s THR 39 N -1.12 1.14 0.23 -5.08 -1.32 -1.26 -4.18 115.64 104.05 1ba9 s THR 39 Ca 0.04 -1.66 -0.30 0.00 -1.21 0.00 0.00 61.69 58.56 1ba9 s THR 39 Cb -0.00 -1.43 -0.15 0.00 -1.51 0.00 0.00 72.50 69.41 1ba9 s THR 39 CO 0.03 -0.47 0.98 -1.84 -2.21 0.00 0.00 174.62 171.11 1ba9 n GLU 40 N 0.58 1.01 0.00 7.08 0.28 -1.23 -4.56 120.64 123.79 1ba9 n GLU 40 Ca -0.16 0.35 0.00 0.00 -0.16 0.00 0.00 57.16 57.20 1ba9 n GLU 40 Cb 0.57 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.74 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 1.64 0.19 3.75 -1.84 0.00 -1.00 -4.92 105.19 103.01 1ba9 n GLY 41 Ca 0.13 -2.30 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 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 4.52 -0.11 0.99 1.02 -1.26 -0.65 118.68 123.19 1ba9 s LEU 42 Ca 0.00 1.59 0.01 0.00 0.02 0.00 0.00 54.13 55.75 1ba9 s LEU 42 Cb 0.00 -3.32 0.02 0.00 0.02 0.00 0.00 46.19 42.91 1ba9 s LEU 42 CO 0.00 0.08 -0.12 -1.00 0.02 0.00 0.00 176.35 175.33 1ba9 s HIS 43 N -0.51 1.79 0.54 0.29 3.76 0.32 -1.96 115.29 119.52 1ba9 s HIS 43 Ca 0.39 -0.86 -0.21 0.00 -0.15 0.00 0.00 55.06 54.22 1ba9 s HIS 43 Cb -0.22 -1.34 -0.05 0.00 1.11 0.00 0.00 32.58 32.08 1ba9 s HIS 43 CO 0.25 -0.49 1.31 0.20 -0.85 0.00 0.00 174.74 175.17 1ba9 s GLY 44 N 1.21 2.86 -0.09 -2.22 0.00 -0.36 -0.67 107.32 108.05 1ba9 s GLY 44 Ca -0.03 1.23 -0.03 0.00 0.00 0.00 0.00 44.72 45.89 1ba9 s GLY 44 CO -0.04 1.72 0.16 -0.12 0.00 0.00 0.00 173.10 174.82 1ba9 s PHE 45 N -1.37 -0.17 0.15 1.90 2.19 -0.17 -0.43 117.98 120.09 1ba9 s PHE 45 Ca 0.71 0.55 -0.17 0.00 0.33 0.00 0.00 56.93 58.35 1ba9 s PHE 45 Cb -0.37 -0.29 0.03 0.00 -1.31 0.00 0.00 43.02 41.08 1ba9 s PHE 45 CO 0.44 -0.30 0.45 -1.01 1.83 0.00 0.00 175.22 176.63 1ba9 s HIS 46 N 2.29 -0.17 -0.58 10.12 3.76 -0.70 -2.70 115.29 127.31 1ba9 s HIS 46 Ca 0.03 -0.14 -0.26 0.00 -0.15 0.00 0.00 55.06 54.54 1ba9 s HIS 46 Cb -0.12 0.31 0.04 0.00 1.11 0.00 0.00 32.58 33.91 1ba9 s HIS 46 CO -0.06 -0.78 1.09 0.08 -0.85 0.00 0.00 174.74 174.21 1ba9 s VAL 47 N -3.83 4.16 0.40 -0.90 1.01 -0.39 -1.33 120.40 119.51 1ba9 s VAL 47 Ca 0.05 0.61 -0.21 0.00 0.00 0.00 0.00 61.98 62.44 1ba9 s VAL 47 Cb 0.01 -4.66 -0.11 0.00 0.00 0.00 0.00 36.38 31.62 1ba9 s VAL 47 CO -0.09 -1.27 0.92 -1.00 0.00 0.00 0.00 175.10 173.67 1ba9 s HIS 48 N 4.56 3.38 0.41 5.22 3.76 0.46 -0.25 115.29 132.83 1ba9 s HIS 48 Ca 0.37 1.59 -0.07 0.00 -0.15 0.00 0.00 55.06 56.80 1ba9 s HIS 48 Cb -0.10 -2.82 0.10 0.00 1.11 0.00 0.00 32.58 30.87 1ba9 s HIS 48 CO 0.22 -0.04 0.47 -1.91 -0.85 0.00 0.00 174.74 172.64 1ba9 n GLU 49 N -0.42 -1.02 0.00 1.40 0.00 -1.02 -3.50 120.64 116.08 1ba9 n GLU 49 Ca 0.06 -0.74 0.00 0.00 0.00 0.00 0.00 57.16 56.48 1ba9 n GLU 49 Cb 0.53 -0.56 0.00 0.00 0.00 0.00 0.00 31.44 31.41 1ba9 n GLU 49 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ba9 n GLU 50 N -2.35 0.00 0.00 5.31 -0.58 -1.26 -4.60 120.64 117.15 1ba9 n GLU 50 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1ba9 n GLU 50 Cb 0.22 -0.07 0.00 0.00 -0.57 0.00 0.00 31.44 31.03 1ba9 n GLU 50 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1ba9 n GLU 51 N 0.00 0.00 -1.03 3.49 2.13 -1.26 -4.80 120.64 119.17 1ba9 n GLU 51 Ca 0.00 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.44 1ba9 n GLU 51 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 1ba9 n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ba9 n ASP 52 N 2.63 2.92 -3.03 4.31 9.92 -1.26 -4.79 116.55 127.25 1ba9 n ASP 52 Ca 0.00 -2.59 -0.33 0.00 -0.53 0.00 0.00 54.79 51.34 1ba9 n ASP 52 Cb 0.00 -1.08 -0.05 0.00 -0.64 0.00 0.00 41.12 39.35 1ba9 n ASP 52 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1ba9 n ASN 53 N 6.80 7.71 -0.15 -2.24 5.15 -1.26 -4.69 115.26 126.58 1ba9 n ASN 53 Ca 0.48 -2.77 0.13 0.00 -0.60 0.00 0.00 54.58 51.82 1ba9 n ASN 53 Cb 0.34 -1.45 0.48 0.00 -0.53 0.00 0.00 39.78 38.62 1ba9 n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1ba9 h THR 54 N 2.61 0.85 0.00 -0.44 1.35 -1.95 0.76 112.91 116.09 1ba9 h THR 54 Ca 0.66 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 66.36 1ba9 h THR 54 Cb 0.56 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 1ba9 h THR 54 CO 1.33 0.09 0.09 0.00 -0.25 0.00 0.00 175.52 176.78 1ba9 h ALA 55 N 1.65 1.08 0.00 6.62 0.00 -1.85 -3.47 119.26 123.30 1ba9 h ALA 55 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1ba9 h ALA 55 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ba9 h ALA 55 CO -0.11 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.47 1ba9 n GLY 56 N -1.16 1.34 0.26 0.00 0.00 0.26 -4.74 105.19 101.15 1ba9 n GLY 56 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1ba9 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba9 s THR 58 N 0.00 0.22 0.00 0.00 2.01 -1.26 -4.88 115.64 111.73 1ba9 s THR 58 Ca 0.00 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1ba9 s THR 58 Cb 0.00 -1.07 0.00 0.00 0.01 0.00 0.00 72.50 71.44 1ba9 s THR 58 CO 0.00 -0.57 0.00 -1.20 -0.69 0.00 0.00 174.62 172.16 1ba9 n SER 59 N 5.14 0.00 0.00 3.53 7.64 -1.26 -4.74 113.62 123.93 1ba9 n SER 59 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1ba9 n SER 59 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1ba9 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ba9 n ALA 60 N 0.00 -0.01 0.00 -0.43 0.00 -1.26 -5.01 120.51 113.80 1ba9 n ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ba9 n ALA 60 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.95 -0.11 0.00 0.00 0.00 -1.26 -4.75 105.19 98.13 1ba9 n GLY 61 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 1.13 -2.23 1.61 -0.04 -1.26 -4.66 135.00 129.56 1ba9 n PRO 62 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1ba9 n PRO 62 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 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 0.16 2.93 0.06 0.54 3.76 -1.26 -2.42 115.29 119.06 1ba9 s HIS 63 Ca 0.00 1.52 -0.30 0.00 -0.15 0.00 0.00 55.06 56.13 1ba9 s HIS 63 Cb 0.00 -3.44 -0.09 0.00 1.11 0.00 0.00 32.58 30.16 1ba9 s HIS 63 CO 0.00 -1.55 1.95 0.12 -0.85 0.00 0.00 174.74 174.42 1ba9 s PHE 64 N -1.44 1.41 -0.50 1.40 2.19 0.66 -4.74 117.98 116.96 1ba9 s PHE 64 Ca 0.60 -0.41 0.08 0.00 0.33 0.00 0.00 56.93 57.53 1ba9 s PHE 64 Cb -0.31 -4.25 0.31 0.00 -1.31 0.00 0.00 43.02 37.46 1ba9 s PHE 64 CO 0.39 -5.52 0.78 -1.71 1.83 0.00 0.00 175.22 171.00 1ba9 n ASN 65 N 7.21 2.62 0.17 6.13 5.15 -1.26 -2.26 115.26 133.02 1ba9 n ASN 65 Ca 0.20 -3.29 0.04 0.00 -0.60 0.00 0.00 54.58 50.92 1ba9 n ASN 65 Cb 0.40 -0.61 0.25 0.00 -0.53 0.00 0.00 39.78 39.29 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 3.35 0.00 0.00 1.20 0.13 -1.92 -3.09 132.00 131.67 1ba9 h PRO 66 Ca 0.12 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.17 1ba9 h PRO 66 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1ba9 h PRO 66 CO 0.67 0.45 -0.41 1.25 -0.23 0.00 0.00 178.00 179.73 1ba9 h LEU 67 N 0.00 0.00 -2.74 1.56 6.46 -1.90 -3.48 115.31 115.20 1ba9 h LEU 67 Ca -0.00 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.65 1ba9 h LEU 67 Cb 1.04 0.00 0.08 0.00 -0.73 0.00 0.00 40.66 41.05 1ba9 h LEU 67 CO 0.06 0.41 -0.36 -1.20 -0.62 0.00 0.00 178.44 176.73 1ba9 n SER 68 N -3.31 -3.90 -4.40 1.25 7.64 -1.17 -5.09 113.62 104.63 1ba9 n SER 68 Ca 0.01 -0.30 -0.21 0.00 1.01 0.00 0.00 58.87 59.39 1ba9 n SER 68 Cb 0.63 -2.49 -0.10 0.00 -1.01 0.00 0.00 64.21 61.24 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 -3.62 1.48 1.06 1.43 0.52 -1.26 -5.13 118.95 113.43 1ba9 s ARG 69 Ca 0.19 -1.69 -0.18 0.00 -0.52 0.00 0.00 55.73 53.52 1ba9 s ARG 69 Cb -0.02 -1.28 0.25 0.00 0.52 0.00 0.00 34.95 34.42 1ba9 s ARG 69 CO 0.31 0.17 1.30 0.15 0.02 0.00 0.00 175.30 177.25 1ba9 s LYS 70 N -3.64 -0.13 0.63 3.54 1.02 -1.26 -4.26 119.74 115.63 1ba9 s LYS 70 Ca 0.26 -0.46 -0.18 0.00 0.02 0.00 0.00 55.97 55.61 1ba9 s LYS 70 Cb -0.00 -1.76 -0.02 0.00 -0.52 0.00 0.00 37.83 35.53 1ba9 s LYS 70 CO 0.10 -2.92 1.20 -1.58 -0.92 0.00 0.00 175.35 171.22 1ba9 s HIS 71 N -3.75 2.35 0.00 3.18 5.65 -0.22 -1.82 115.29 120.69 1ba9 s HIS 71 Ca 0.76 1.54 0.00 0.00 0.25 0.00 0.00 55.06 57.60 1ba9 s HIS 71 Cb -0.03 -3.44 0.00 0.00 -1.18 0.00 0.00 32.58 27.92 1ba9 s HIS 71 CO 0.54 -2.23 0.00 0.41 -0.65 0.00 0.00 174.74 172.82 1ba9 n GLY 72 N 0.37 0.63 3.29 1.59 0.00 -1.26 -4.10 105.19 105.72 1ba9 n GLY 72 Ca 0.13 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.06 2.06 0.58 -0.02 0.00 -1.18 -4.59 107.32 102.12 1ba9 s GLY 73 Ca 0.00 -1.85 0.34 0.00 0.00 0.00 0.00 44.72 43.21 1ba9 s GLY 73 CO 0.00 -1.51 2.17 -0.56 0.00 0.00 0.00 173.10 173.20 1ba9 h PRO 74 N 2.25 0.00 0.00 2.90 0.13 -1.88 0.26 132.00 135.66 1ba9 h PRO 74 Ca -0.31 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.73 1ba9 h PRO 74 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1ba9 h PRO 74 CO 0.46 0.05 -0.47 -0.22 -0.23 0.00 0.00 178.00 177.59 1ba9 h LYS 75 N 0.00 0.00 -6.24 0.86 3.64 -1.96 -3.46 116.57 109.41 1ba9 h LYS 75 Ca -0.00 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.91 1ba9 h LYS 75 Cb 0.22 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1ba9 h LYS 75 CO 0.01 0.47 -0.42 -0.51 -2.27 0.00 0.00 179.45 176.72 1ba9 s ASP 76 N -6.72 5.83 0.09 4.20 1.01 0.08 -5.03 116.67 116.14 1ba9 s ASP 76 Ca -0.01 -0.20 -0.08 0.00 0.71 0.00 0.00 52.55 52.97 1ba9 s ASP 76 Cb 0.13 -1.37 -0.20 0.00 1.01 0.00 0.00 42.92 42.48 1ba9 s ASP 76 CO 0.72 -0.25 1.20 -0.08 0.21 0.00 0.00 175.17 176.98 1ba9 h GLU 77 N 1.15 0.48 -7.03 8.23 4.22 -1.89 -3.43 114.58 116.31 1ba9 h GLU 77 Ca -0.48 -0.60 -0.44 0.00 0.08 0.00 0.00 59.36 57.92 1ba9 h GLU 77 Cb 1.25 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 1ba9 h GLU 77 CO 0.58 1.23 0.32 -2.00 -2.18 0.00 0.00 179.01 176.96 1ba9 s GLU 78 N -3.07 4.21 0.00 1.92 2.12 -1.26 -5.01 118.70 117.61 1ba9 s GLU 78 Ca -0.07 1.08 0.00 0.00 0.36 0.00 0.00 54.97 56.34 1ba9 s GLU 78 Cb 0.07 -2.20 0.00 0.00 0.26 0.00 0.00 34.13 32.26 1ba9 s GLU 78 CO 0.90 -0.01 0.00 2.89 -0.54 0.00 0.00 175.26 178.49 1ba9 n ARG 79 N -0.62 0.00 0.00 4.30 1.85 -0.76 -3.08 116.66 118.36 1ba9 n ARG 79 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 1ba9 n ARG 79 Cb 0.54 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 1ba9 n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1ba9 n HIS 80 N -0.90 0.00 0.00 2.89 8.25 -0.93 -4.49 115.22 120.05 1ba9 n HIS 80 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ba9 n HIS 80 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ba9 n HIS 80 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ba9 n VAL 81 N 0.00 0.00 -1.34 1.59 0.31 -0.96 -4.61 118.33 113.32 1ba9 n VAL 81 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 1ba9 n VAL 81 Cb 0.00 -0.66 -0.09 0.00 -0.91 0.00 0.00 33.84 32.18 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 3.07 3.91 3.36 2.92 0.00 -1.24 -4.76 105.19 112.45 1ba9 n GLY 82 Ca 0.00 -1.62 -0.45 0.00 0.00 0.00 0.00 46.02 43.95 1ba9 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ba9 s ASP 83 N 1.11 7.23 -0.81 1.61 1.01 -1.26 -1.27 116.67 124.30 1ba9 s ASP 83 Ca 0.62 -3.41 -0.06 0.00 0.71 0.00 0.00 52.55 50.41 1ba9 s ASP 83 Cb 0.33 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 42.02 1ba9 s ASP 83 CO -0.12 -0.39 2.82 0.18 0.21 0.00 0.00 175.17 177.88 1ba9 n LEU 84 N 3.30 7.08 0.00 1.23 4.77 -1.10 -4.23 117.00 128.04 1ba9 n LEU 84 Ca 0.25 -4.22 0.00 0.00 -0.03 0.00 0.00 56.01 52.01 1ba9 n LEU 84 Cb 0.40 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1ba9 n LEU 84 CO 0.48 1.88 0.00 0.61 -1.33 0.00 0.00 177.39 179.03 1ba9 n GLY 85 N 1.78 0.11 3.13 -0.72 0.00 -1.26 -4.48 105.19 103.76 1ba9 n GLY 85 Ca 0.56 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.28 0.68 0.56 1.61 2.20 -1.26 -1.00 114.94 117.45 1ba9 s ASN 86 Ca 0.00 -1.05 0.05 0.00 -0.94 0.00 0.00 52.86 50.91 1ba9 s ASN 86 Cb 0.00 0.18 0.05 0.00 -2.00 0.00 0.00 41.25 39.48 1ba9 s ASN 86 CO 0.00 -0.59 0.39 0.68 -2.94 0.00 0.00 177.10 174.64 1ba9 s VAL 87 N -3.85 1.48 -0.19 3.54 -7.23 0.16 -4.89 120.40 109.42 1ba9 s VAL 87 Ca 0.13 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 1ba9 s VAL 87 Cb 0.07 -2.01 0.04 0.00 0.56 0.00 0.00 36.38 35.04 1ba9 s VAL 87 CO -0.05 0.00 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.77 1ba9 s THR 88 N -2.82 1.42 0.30 5.32 2.01 -1.26 -0.52 115.64 120.09 1ba9 s THR 88 Ca 0.30 -0.88 -0.28 0.00 0.31 0.00 0.00 61.69 61.14 1ba9 s THR 88 Cb -0.02 -1.55 -0.09 0.00 0.01 0.00 0.00 72.50 70.84 1ba9 s THR 88 CO 0.19 0.12 0.98 0.00 -0.69 0.00 0.00 174.62 175.22 1ba9 s ALA 89 N 1.49 3.27 1.10 7.40 0.00 0.17 -4.31 121.76 130.87 1ba9 s ALA 89 Ca -0.01 0.63 -0.16 0.00 0.00 0.00 0.00 51.96 52.43 1ba9 s ALA 89 Cb -0.16 -3.23 0.24 0.00 0.00 0.00 0.00 23.12 19.97 1ba9 s ALA 89 CO -0.08 0.09 1.11 0.34 0.00 0.00 0.00 175.76 177.22 1ba9 s ASP 90 N -1.36 1.81 0.45 0.00 -1.08 0.36 -2.38 116.67 114.47 1ba9 s ASP 90 Ca 0.47 0.87 0.30 0.00 -0.52 0.00 0.00 52.55 53.68 1ba9 s ASP 90 Cb -0.23 -1.31 1.60 0.00 -1.46 0.00 0.00 42.92 41.51 1ba9 s ASP 90 CO 0.30 -3.60 1.92 0.07 0.52 0.00 0.00 175.17 174.38 1ba9 h LYS 91 N -2.22 0.00 -0.02 4.34 2.10 -1.95 0.67 116.57 119.50 1ba9 h LYS 91 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1ba9 h LYS 91 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1ba9 h LYS 91 CO 0.46 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.44 1ba9 n ASP 92 N -2.57 1.58 -1.30 7.07 2.03 -1.26 -4.80 116.55 117.28 1ba9 n ASP 92 Ca -0.02 -1.53 -0.10 0.00 0.52 0.00 0.00 54.79 53.67 1ba9 n ASP 92 Cb 0.07 -0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.48 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 1.18 0.08 3.21 0.27 0.00 0.23 -4.65 105.19 105.51 1ba9 n GLY 93 Ca 0.19 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.67 3.31 -0.46 1.61 1.01 -1.25 -1.24 120.40 120.71 1ba9 s VAL 94 Ca 0.08 -1.32 -0.19 0.00 0.00 0.00 0.00 61.98 60.55 1ba9 s VAL 94 Cb -0.03 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.47 1ba9 s VAL 94 CO 0.10 -0.16 0.58 0.00 0.00 0.00 0.00 175.10 175.61 1ba9 s ALA 95 N 1.31 3.38 -0.12 5.51 0.00 -1.26 -0.49 121.76 130.10 1ba9 s ALA 95 Ca -0.03 -1.50 -0.30 0.00 0.00 0.00 0.00 51.96 50.14 1ba9 s ALA 95 Cb -0.20 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1ba9 s ALA 95 CO 0.00 -1.82 1.10 0.34 0.00 0.00 0.00 175.76 175.38 1ba9 s ASP 96 N 2.21 7.13 -0.07 0.00 -1.08 -1.26 -1.02 116.67 122.59 1ba9 s ASP 96 Ca 0.17 1.61 -0.06 0.00 -0.52 0.00 0.00 52.55 53.75 1ba9 s ASP 96 Cb -0.17 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.70 1ba9 s ASP 96 CO 0.15 -0.56 0.18 -0.69 0.52 0.00 0.00 175.17 174.77 1ba9 s VAL 97 N 2.41 5.44 -0.33 1.11 1.01 0.30 -4.79 120.40 125.54 1ba9 s VAL 97 Ca 0.51 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.65 1ba9 s VAL 97 Cb -0.20 -3.48 0.19 0.00 0.00 0.00 0.00 36.38 32.89 1ba9 s VAL 97 CO 0.17 0.51 0.74 -0.94 0.00 0.00 0.00 175.10 175.57 1ba9 s SER 98 N -1.36 -1.24 0.32 3.32 1.04 -1.25 -0.79 113.70 113.74 1ba9 s SER 98 Ca 0.20 -0.19 -0.09 0.00 0.48 0.00 0.00 55.95 56.36 1ba9 s SER 98 Cb -0.13 1.68 0.01 0.00 0.10 0.00 0.00 66.02 67.69 1ba9 s SER 98 CO 0.10 -0.19 0.54 -0.51 0.98 0.00 0.00 173.24 174.16 1ba9 s ILE 99 N 2.42 0.00 0.03 -1.02 2.07 0.08 -5.01 121.20 119.78 1ba9 s ILE 99 Ca 0.15 -1.41 0.00 0.00 -1.41 0.00 0.00 60.65 57.98 1ba9 s ILE 99 Cb -0.05 -2.54 -0.03 0.00 0.13 0.00 0.00 42.46 39.98 1ba9 s ILE 99 CO -0.18 0.00 -0.04 -1.83 -1.91 0.00 0.00 174.94 170.98 1ba9 s GLU 100 N -3.23 0.42 0.10 3.50 1.03 -1.26 -0.34 118.70 118.92 1ba9 s GLU 100 Ca 0.25 -0.80 0.07 0.00 0.03 0.00 0.00 54.97 54.51 1ba9 s GLU 100 Cb -0.01 0.09 -0.03 0.00 -0.80 0.00 0.00 34.13 33.37 1ba9 s GLU 100 CO 0.15 -0.05 -0.17 -0.51 -1.33 0.00 0.00 175.26 173.35 1ba9 s ASP 101 N -1.88 2.09 -0.23 0.83 1.01 -0.66 -4.96 116.67 112.88 1ba9 s ASP 101 Ca -0.09 -0.70 0.10 0.00 0.71 0.00 0.00 52.55 52.57 1ba9 s ASP 101 Cb -0.05 -0.09 0.43 0.00 1.01 0.00 0.00 42.92 44.22 1ba9 s ASP 101 CO -0.03 -0.05 1.23 -1.20 0.21 0.00 0.00 175.17 175.33 1ba9 n SER 102 N 0.97 2.21 0.08 0.27 7.64 -1.26 -0.27 113.62 123.26 1ba9 n SER 102 Ca -0.19 -3.88 0.00 0.00 1.01 0.00 0.00 58.87 55.81 1ba9 n SER 102 Cb 0.55 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.06 0.36 -1.69 0.44 3.14 -1.26 -5.01 118.33 113.24 1ba9 n VAL 103 Ca 0.23 0.12 -0.33 0.00 -2.96 0.00 0.00 64.34 61.41 1ba9 n VAL 103 Cb 0.75 -0.94 0.05 0.00 -1.06 0.00 0.00 33.84 32.63 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 3.35 0.10 1.55 -5.25 -1.26 -4.79 121.20 112.91 1ba9 s ILE 104 Ca 0.00 0.59 -0.26 0.00 -0.99 0.00 0.00 60.65 59.99 1ba9 s ILE 104 Cb 0.00 -3.11 0.08 0.00 2.95 0.00 0.00 42.46 42.37 1ba9 s ILE 104 CO 0.00 -0.43 0.89 -0.44 -1.79 0.00 0.00 174.94 173.17 1ba9 s SER 105 N -2.80 -0.28 -0.39 4.36 0.01 -1.23 -4.54 113.70 108.83 1ba9 s SER 105 Ca 0.65 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1ba9 s SER 105 Cb -0.19 0.48 0.36 0.00 0.21 0.00 0.00 66.02 66.87 1ba9 s SER 105 CO 0.44 -0.83 1.87 0.00 0.41 0.00 0.00 173.24 175.13 1ba9 n LEU 106 N -0.38 6.40 -3.93 2.44 -0.00 -1.26 -0.37 117.00 119.90 1ba9 n LEU 106 Ca -0.08 -3.38 0.03 0.00 -0.00 0.00 0.00 56.01 52.57 1ba9 n LEU 106 Cb 0.61 -0.92 0.01 0.00 -0.00 0.00 0.00 43.42 43.13 1ba9 n LEU 106 CO 0.12 1.15 1.10 -0.94 -0.00 0.00 0.00 177.39 178.82 1ba9 s SER 107 N -0.55 -0.00 0.00 1.45 1.04 -1.26 -4.79 113.70 109.58 1ba9 s SER 107 Ca 0.41 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1ba9 s SER 107 Cb 0.33 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1ba9 s SER 107 CO 0.02 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1ba9 n GLY 108 N -0.84 2.26 1.78 7.32 0.00 -1.26 -3.70 105.19 110.75 1ba9 n GLY 108 Ca 0.02 -0.03 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 4.20 -1.48 -0.93 1.61 8.00 -1.26 -4.96 116.55 121.73 1ba9 n ASP 109 Ca 0.00 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1ba9 n ASP 109 Cb 0.00 1.65 0.00 0.00 -0.02 0.00 0.00 41.12 42.75 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 -2.81 0.00 -1.36 1.24 8.25 -1.24 -4.88 115.22 114.42 1ba9 n HIS 110 Ca 0.00 -0.23 -0.28 0.00 -0.26 0.00 0.00 57.72 56.94 1ba9 n HIS 110 Cb 0.00 -0.16 -0.17 0.00 1.12 0.00 0.00 29.99 30.78 1ba9 n HIS 110 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ba9 n SER 111 N 0.66 -0.54 0.28 0.41 7.64 -0.95 -3.55 113.62 117.57 1ba9 n SER 111 Ca 0.00 -0.17 0.14 0.00 1.01 0.00 0.00 58.87 59.86 1ba9 n SER 111 Cb 0.25 -0.66 0.82 0.00 -1.01 0.00 0.00 64.21 63.61 1ba9 n SER 111 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1ba9 h ILE 112 N 6.78 0.47 -2.24 0.44 3.07 -1.01 -3.40 117.51 121.62 1ba9 h ILE 112 Ca -0.00 -0.36 -0.56 0.00 1.55 0.00 0.00 64.86 65.48 1ba9 h ILE 112 Cb 1.10 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 38.90 1ba9 h ILE 112 CO 1.37 0.07 1.35 -0.63 -1.05 0.00 0.00 178.15 179.26 1ba9 s ILE 113 N -4.26 3.10 0.00 0.16 -1.09 -1.26 -0.75 121.20 117.10 1ba9 s ILE 113 Ca -0.03 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.50 1ba9 s ILE 113 Cb 0.13 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 1ba9 s ILE 113 CO 0.56 -0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.83 1ba9 n GLY 114 N 5.16 0.72 3.78 6.18 0.00 0.11 -5.02 105.19 116.13 1ba9 n GLY 114 Ca 0.25 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 1ba9 n GLY 114 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ba9 s ARG 115 N -3.03 2.84 -0.17 1.61 1.70 0.07 -4.93 118.95 117.04 1ba9 s ARG 115 Ca 0.00 -0.87 -0.13 0.00 -0.47 0.00 0.00 55.73 54.26 1ba9 s ARG 115 Cb 0.00 -2.62 -0.05 0.00 -0.57 0.00 0.00 34.95 31.71 1ba9 s ARG 115 CO 0.00 0.49 0.25 0.99 -1.08 0.00 0.00 175.30 175.95 1ba9 s THR 116 N -1.71 5.33 -0.14 4.99 2.01 -1.23 -1.12 115.64 123.77 1ba9 s THR 116 Ca 0.30 0.46 -0.02 0.00 0.31 0.00 0.00 61.69 62.74 1ba9 s THR 116 Cb -0.10 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1ba9 s THR 116 CO 0.23 0.39 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.26 1ba9 s LEU 117 N 0.50 3.05 0.01 4.42 2.96 0.13 -0.41 118.68 129.34 1ba9 s LEU 117 Ca 0.14 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1ba9 s LEU 117 Cb -0.13 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 1ba9 s LEU 117 CO 0.03 0.18 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.49 1ba9 s VAL 118 N 0.30 0.40 0.12 1.68 1.01 -0.44 -1.50 120.40 121.96 1ba9 s VAL 118 Ca -0.06 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1ba9 s VAL 118 Cb -0.15 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1ba9 s VAL 118 CO 0.04 -0.05 0.06 0.54 0.00 0.00 0.00 175.10 175.69 1ba9 s VAL 119 N -0.51 4.27 0.27 2.92 0.11 -0.39 -1.72 120.40 125.35 1ba9 s VAL 119 Ca -0.02 -1.00 0.10 0.00 -2.93 0.00 0.00 61.98 58.13 1ba9 s VAL 119 Cb -0.04 -3.09 -0.04 0.00 -1.53 0.00 0.00 36.38 31.67 1ba9 s VAL 119 CO -0.00 0.03 -0.02 -1.00 -3.33 0.00 0.00 175.10 170.78 1ba9 s HIS 120 N -1.50 2.65 0.00 1.54 3.76 0.43 -2.41 115.29 119.75 1ba9 s HIS 120 Ca 0.28 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 1ba9 s HIS 120 Cb -0.11 -1.19 0.00 0.00 1.11 0.00 0.00 32.58 32.39 1ba9 s HIS 120 CO 0.21 0.62 0.72 -1.91 -0.85 0.00 0.00 174.74 173.53 1ba9 n GLU 121 N -0.87 0.00 -1.47 1.40 0.00 0.19 -3.84 120.64 116.05 1ba9 n GLU 121 Ca -0.06 0.49 -0.29 0.00 0.00 0.00 0.00 57.16 57.30 1ba9 n GLU 121 Cb 0.59 -1.35 0.15 0.00 0.00 0.00 0.00 31.44 30.83 1ba9 n GLU 121 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1ba9 s LYS 122 N -2.42 0.91 0.37 5.31 -0.14 0.12 -4.42 119.74 119.47 1ba9 s LYS 122 Ca 0.00 0.29 -0.27 0.00 -1.36 0.00 0.00 55.97 54.63 1ba9 s LYS 122 Cb 0.00 -1.81 -0.09 0.00 -1.68 0.00 0.00 37.83 34.25 1ba9 s LYS 122 CO 0.00 -2.35 1.24 0.00 -0.76 0.00 0.00 175.35 173.48 1ba9 s ALA 123 N -3.24 3.32 -0.00 5.17 0.00 -0.83 -1.22 121.76 124.96 1ba9 s ALA 123 Ca 0.65 1.13 -0.30 0.00 0.00 0.00 0.00 51.96 53.44 1ba9 s ALA 123 Cb -0.15 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 1ba9 s ALA 123 CO 0.54 -0.61 1.60 0.34 0.00 0.00 0.00 175.76 177.62 1ba9 s ASP 124 N -0.78 6.69 0.00 0.00 -1.08 -1.26 -3.95 116.67 116.28 1ba9 s ASP 124 Ca 0.53 2.28 0.28 0.00 -0.52 0.00 0.00 52.55 55.12 1ba9 s ASP 124 Cb -0.36 -2.55 1.67 0.00 -1.46 0.00 0.00 42.92 40.22 1ba9 s ASP 124 CO 0.46 -0.87 2.04 -0.67 0.52 0.00 0.00 175.17 176.66 1ba9 n ASP 125 N 6.25 0.00 -4.27 -0.34 2.03 0.52 -4.78 116.55 115.97 1ba9 n ASP 125 Ca 0.16 -1.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.11 1ba9 n ASP 125 Cb 0.42 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.78 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 -0.97 -1.56 0.00 -2.67 4.77 -1.26 -1.57 117.00 113.74 1ba9 n LEU 126 Ca 0.21 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1ba9 n LEU 126 Cb 0.10 -1.99 0.00 0.00 -2.33 0.00 0.00 43.42 39.20 1ba9 n LEU 126 CO 0.16 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1ba9 n GLY 127 N -1.44 0.02 0.15 -0.72 0.00 -1.25 -4.22 105.19 97.72 1ba9 n GLY 127 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 0.04 0.00 0.00 1.61 2.10 -1.61 -3.27 116.57 115.45 1ba9 h LYS 128 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ba9 h LYS 128 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1ba9 h LYS 128 CO 0.00 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.86 1ba9 n GLY 129 N 0.91 -0.39 3.64 0.07 0.00 -1.26 -4.85 105.19 103.32 1ba9 n GLY 129 Ca 0.04 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.21 -0.44 3.25 -0.02 0.00 -1.23 -4.98 105.19 101.56 1ba9 n GLY 130 Ca 0.08 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.80 -0.19 0.11 1.61 2.47 -1.26 -5.04 114.94 108.83 1ba9 s ASN 131 Ca 0.33 0.04 -0.34 0.00 0.42 0.00 0.00 52.86 53.32 1ba9 s ASN 131 Cb -0.16 0.33 -0.13 0.00 -1.45 0.00 0.00 41.25 39.84 1ba9 s ASN 131 CO 0.77 -0.49 1.56 -0.33 -3.72 0.00 0.00 177.10 174.89 1ba9 h GLU 132 N 3.69 -0.69 -0.19 0.43 5.08 -1.96 0.18 114.58 121.12 1ba9 h GLU 132 Ca -0.30 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1ba9 h GLU 132 Cb 1.18 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.54 1ba9 h GLU 132 CO 0.41 -0.46 -0.30 0.37 -1.00 0.00 0.00 179.01 178.04 1ba9 h GLN 133 N -0.71 -0.22 -0.67 2.33 -0.00 -1.98 0.39 115.11 114.24 1ba9 h GLN 133 Ca 0.01 0.02 0.07 0.00 -0.00 0.00 0.00 58.65 58.74 1ba9 h GLN 133 Cb 0.74 0.05 -0.09 0.00 0.00 0.00 0.00 27.48 28.18 1ba9 h GLN 133 CO -0.31 -0.15 -0.52 0.66 0.00 0.00 0.00 178.83 178.51 1ba9 h SER 134 N -0.23 -1.85 0.32 -0.69 4.64 -1.87 0.66 113.55 114.52 1ba9 h SER 134 Ca 0.03 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1ba9 h SER 134 Cb 0.33 0.80 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1ba9 h SER 134 CO -0.30 -0.28 0.00 0.35 -0.87 0.00 0.00 176.83 175.73 1ba9 n THR 135 N -5.09 1.31 -0.09 2.95 -2.24 0.63 0.08 114.28 111.84 1ba9 n THR 135 Ca -0.00 0.37 -0.09 0.00 -2.27 0.00 0.00 64.05 62.06 1ba9 n THR 135 Cb 0.27 -1.25 -0.14 0.00 -2.10 0.00 0.00 70.33 67.11 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 -1.65 1.06 0.00 -0.78 4.81 0.13 -1.05 118.16 120.67 1ba9 n LYS 136 Ca 0.02 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1ba9 n LYS 136 Cb 0.11 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 33.70 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 -2.68 0.00 -0.02 3.15 -2.24 0.22 -4.51 114.28 108.20 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 1.08 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.15 0.99 2.29 3.38 0.00 0.11 -4.30 105.19 107.81 1ba9 n GLY 138 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 0.04 -4.05 0.00 1.61 5.15 -1.26 -0.35 115.26 116.40 1ba9 n ASN 139 Ca 0.00 0.23 0.13 0.00 -0.60 0.00 0.00 54.58 54.34 1ba9 n ASN 139 Cb 0.00 -3.55 0.61 0.00 -0.53 0.00 0.00 39.78 36.31 1ba9 n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ba9 n ALA 140 N -1.04 2.25 -0.37 5.20 0.00 -1.25 -4.73 120.51 120.55 1ba9 n ALA 140 Ca -0.16 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1ba9 n ALA 140 Cb 0.56 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.07 -0.50 3.68 0.00 0.00 -1.26 0.16 105.19 108.33 1ba9 n GLY 141 Ca 0.09 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 2.62 -0.46 1.61 0.15 -1.26 -4.62 113.70 107.74 1ba9 s SER 142 Ca 0.00 1.20 -0.18 0.00 0.70 0.00 0.00 55.95 57.67 1ba9 s SER 142 Cb 0.00 -1.87 0.04 0.00 -1.71 0.00 0.00 66.02 62.48 1ba9 s SER 142 CO 0.00 -3.13 0.53 -0.13 1.20 0.00 0.00 173.24 171.70 1ba9 s ARG 143 N -4.96 3.11 0.36 5.44 3.00 -1.26 -0.64 118.95 123.99 1ba9 s ARG 143 Ca 0.65 -0.86 0.11 0.00 0.00 0.00 0.00 55.73 55.63 1ba9 s ARG 143 Cb -0.19 -4.04 0.67 0.00 0.00 0.00 0.00 34.95 31.39 1ba9 s ARG 143 CO 0.58 -1.04 1.81 -0.07 0.00 0.00 0.00 175.30 176.57 1ba9 h LEU 144 N 9.33 0.08 -7.00 2.53 -0.00 -1.73 -3.46 115.31 115.05 1ba9 h LEU 144 Ca -0.27 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.55 1ba9 h LEU 144 Cb 1.10 -0.02 -0.17 0.00 -0.00 0.00 0.00 40.66 41.57 1ba9 h LEU 144 CO 0.88 0.43 0.24 0.00 -0.00 0.00 0.00 178.44 179.99 1ba9 s ALA 145 N -4.23 -1.73 -0.07 1.53 0.00 -1.24 -3.81 121.76 112.20 1ba9 s ALA 145 Ca -0.03 1.07 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 1ba9 s ALA 145 Cb 0.14 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.54 1ba9 s ALA 145 CO 0.74 -0.50 0.37 0.00 0.00 0.00 0.00 175.76 176.36 1ba9 s GLY 147 N -0.65 -0.48 0.06 0.00 0.00 -0.56 -0.93 107.32 104.76 1ba9 s GLY 147 Ca -0.07 1.05 -0.11 0.00 0.00 0.00 0.00 44.72 45.59 1ba9 s GLY 147 CO 0.03 0.41 0.39 0.14 0.00 0.00 0.00 173.10 174.07 1ba9 s VAL 148 N -2.92 5.10 -0.20 1.40 1.01 -1.26 -0.70 120.40 122.83 1ba9 s VAL 148 Ca 0.03 0.51 -0.21 0.00 0.00 0.00 0.00 61.98 62.31 1ba9 s VAL 148 Cb -0.01 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1ba9 s VAL 148 CO -0.08 0.35 0.65 -0.63 0.00 0.00 0.00 175.10 175.40 1ba9 s ILE 149 N -1.33 5.00 0.31 2.22 1.01 -0.28 -4.36 121.20 123.77 1ba9 s ILE 149 Ca 0.31 1.23 0.05 0.00 0.00 0.00 0.00 60.65 62.24 1ba9 s ILE 149 Cb -0.14 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 1ba9 s ILE 149 CO 0.17 0.09 0.26 -0.83 0.00 0.00 0.00 174.94 174.63 1ba9 s GLY 150 N 1.22 2.15 0.41 6.18 0.00 -0.21 -0.71 107.32 116.36 1ba9 s GLY 150 Ca 0.30 -1.99 -0.25 0.00 0.00 0.00 0.00 44.72 42.78 1ba9 s GLY 150 CO 0.10 -1.44 1.22 -0.42 0.00 0.00 0.00 173.10 172.57 1ba9 s ILE 151 N -3.55 2.93 -0.86 0.90 1.09 -1.26 -0.23 121.20 120.22 1ba9 s ILE 151 Ca 0.40 0.79 -0.23 0.00 -1.10 0.00 0.00 60.65 60.50 1ba9 s ILE 151 Cb 0.03 -3.45 0.06 0.00 -1.06 0.00 0.00 42.46 38.04 1ba9 s ILE 151 CO 0.25 0.08 1.26 0.00 -0.10 0.00 0.00 174.94 176.43 1ba9 s ALA 152 N -1.37 2.90 0.00 9.38 0.00 0.21 -4.66 121.76 128.21 1ba9 s ALA 152 Ca 0.58 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1ba9 s ALA 152 Cb -0.33 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 18.53 1ba9 s ALA 152 CO 0.42 -3.27 0.00 0.94 0.00 0.00 0.00 175.76 173.85