#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 1.36 -4.42 0.00 -2.24 -1.26 -4.96 114.28 102.75 1ba9 n THR 2 Ca 0.00 -0.34 -0.34 0.00 -2.27 0.00 0.00 64.05 61.10 1ba9 n THR 2 Cb 0.00 -1.47 -0.12 0.00 -2.10 0.00 0.00 70.33 66.65 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 -0.95 3.49 0.18 -0.78 3.01 -1.26 -4.15 119.74 119.27 1ba9 s LYS 3 Ca 0.63 -0.51 0.07 0.00 -1.01 0.00 0.00 55.97 55.16 1ba9 s LYS 3 Cb -0.63 -2.86 -0.04 0.00 -1.01 0.00 0.00 37.83 33.29 1ba9 s LYS 3 CO 0.54 0.35 0.03 0.00 0.51 0.00 0.00 175.35 176.78 1ba9 s ALA 4 N 0.07 3.29 0.06 5.17 0.00 0.14 -0.70 121.76 129.79 1ba9 s ALA 4 Ca -0.00 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 50.66 1ba9 s ALA 4 Cb -0.13 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 1ba9 s ALA 4 CO 0.03 0.48 -0.12 0.54 0.00 0.00 0.00 175.76 176.68 1ba9 s VAL 5 N -1.76 0.95 -0.22 0.00 0.11 0.64 -0.55 120.40 119.56 1ba9 s VAL 5 Ca 0.28 -1.23 -0.01 0.00 -2.93 0.00 0.00 61.98 58.09 1ba9 s VAL 5 Cb -0.09 -0.94 0.06 0.00 -1.53 0.00 0.00 36.38 33.88 1ba9 s VAL 5 CO 0.20 -0.26 -0.01 0.00 -3.33 0.00 0.00 175.10 171.70 1ba9 s ALA 6 N -1.29 1.52 -0.91 1.54 0.00 -0.00 -0.77 121.76 121.84 1ba9 s ALA 6 Ca -0.04 -1.08 -0.23 0.00 0.00 0.00 0.00 51.96 50.61 1ba9 s ALA 6 Cb -0.10 -1.33 0.06 0.00 0.00 0.00 0.00 23.12 21.75 1ba9 s ALA 6 CO 0.02 -1.21 1.31 0.14 0.00 0.00 0.00 175.76 176.02 1ba9 s VAL 7 N 1.61 4.07 0.19 0.00 -7.23 -1.26 -0.96 120.40 116.82 1ba9 s VAL 7 Ca -0.03 -0.63 -0.33 0.00 -1.81 0.00 0.00 61.98 59.18 1ba9 s VAL 7 Cb -0.18 -4.94 -0.13 0.00 0.56 0.00 0.00 36.38 31.69 1ba9 s VAL 7 CO -0.08 -1.79 1.60 0.18 -0.31 0.00 0.00 175.10 174.70 1ba9 n LEU 8 N 8.44 3.46 -3.66 1.32 4.32 0.12 -4.28 117.00 126.72 1ba9 n LEU 8 Ca 0.21 1.09 -0.06 0.00 -0.02 0.00 0.00 56.01 57.23 1ba9 n LEU 8 Cb 0.50 -1.48 -0.08 0.00 -1.62 0.00 0.00 43.42 40.74 1ba9 n LEU 8 CO 0.64 -0.14 0.13 -0.75 -1.22 0.00 0.00 177.39 176.04 1ba9 s LYS 9 N 0.71 0.44 0.00 3.23 2.36 -0.00 -0.42 119.74 126.06 1ba9 s LYS 9 Ca 0.75 1.14 0.00 0.00 -2.55 0.00 0.00 55.97 55.31 1ba9 s LYS 9 Cb -0.61 0.42 0.00 0.00 -1.05 0.00 0.00 37.83 36.59 1ba9 s LYS 9 CO 0.38 -0.21 0.00 0.41 1.55 0.00 0.00 175.35 177.48 1ba9 n GLY 10 N 5.15 2.95 0.21 5.54 0.00 0.15 -3.41 105.19 115.77 1ba9 n GLY 10 Ca -0.13 -2.10 -0.01 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.11 0.00 1.61 3.58 -1.86 -3.44 116.42 116.20 1ba9 h ASP 11 Ca 0.00 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1ba9 h ASP 11 Cb 0.00 0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1ba9 h ASP 11 CO 0.00 -0.03 0.00 0.61 -2.88 0.00 0.00 179.24 176.94 1ba9 n GLY 12 N -1.31 1.71 0.10 -0.78 0.00 -1.26 -4.98 105.19 98.67 1ba9 n GLY 12 Ca 0.06 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.39 1ba9 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ba9 h PRO 13 N 0.00 0.00 -5.75 1.61 0.13 -1.90 -3.45 132.00 122.64 1ba9 h PRO 13 Ca 0.00 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.44 1ba9 h PRO 13 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1ba9 h PRO 13 CO 0.00 0.00 1.44 1.55 -0.23 0.00 0.00 178.00 180.76 1ba9 n VAL 14 N -2.27 0.01 -4.02 1.56 3.14 -1.26 -4.58 118.33 110.92 1ba9 n VAL 14 Ca 0.05 -0.03 -0.10 0.00 -2.96 0.00 0.00 64.34 61.30 1ba9 n VAL 14 Cb 0.44 -0.63 -0.06 0.00 -1.06 0.00 0.00 33.84 32.53 1ba9 n VAL 14 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ba9 s GLN 15 N 6.77 1.47 -0.29 1.45 -2.07 -1.13 -0.68 119.66 125.19 1ba9 s GLN 15 Ca 1.23 -1.30 -0.20 0.00 -1.82 0.00 0.00 55.36 53.27 1ba9 s GLN 15 Cb -1.37 0.43 0.15 0.00 -1.09 0.00 0.00 33.01 31.13 1ba9 s GLN 15 CO 0.60 -0.59 1.08 0.20 -1.32 0.00 0.00 175.29 175.26 1ba9 s GLY 16 N -3.04 0.06 -0.90 2.60 0.00 0.44 0.08 107.32 106.57 1ba9 s GLY 16 Ca 0.25 3.12 -0.17 0.00 0.00 0.00 0.00 44.72 47.91 1ba9 s GLY 16 CO 0.09 2.29 1.01 -0.42 0.00 0.00 0.00 173.10 176.07 1ba9 s ILE 17 N 0.80 5.03 0.52 0.90 -1.09 -1.09 0.15 121.20 126.42 1ba9 s ILE 17 Ca -0.03 -1.89 -0.16 0.00 -2.23 0.00 0.00 60.65 56.34 1ba9 s ILE 17 Cb -0.04 -4.68 -0.08 0.00 -1.58 0.00 0.00 42.46 36.09 1ba9 s ILE 17 CO -0.12 -1.35 0.99 -0.63 -1.23 0.00 0.00 174.94 172.60 1ba9 s ILE 18 N 1.83 4.54 -0.05 2.92 -1.09 -0.14 -3.45 121.20 125.77 1ba9 s ILE 18 Ca 0.28 1.20 -0.04 0.00 -2.23 0.00 0.00 60.65 59.85 1ba9 s ILE 18 Cb -0.07 -3.73 0.01 0.00 -1.58 0.00 0.00 42.46 37.10 1ba9 s ILE 18 CO -0.09 -0.71 0.12 0.20 -1.23 0.00 0.00 174.94 173.23 1ba9 s ASN 19 N -3.13 -0.13 -0.06 3.58 0.01 0.15 -0.82 114.94 114.55 1ba9 s ASN 19 Ca 0.59 0.25 0.00 0.00 -0.71 0.00 0.00 52.86 52.99 1ba9 s ASN 19 Cb -0.10 0.25 0.02 0.00 0.41 0.00 0.00 41.25 41.83 1ba9 s ASN 19 CO 0.32 -0.05 -0.03 -0.36 -1.51 0.00 0.00 177.10 175.47 1ba9 s PHE 20 N 0.12 0.78 -0.16 2.20 0.40 0.28 -0.79 117.98 120.81 1ba9 s PHE 20 Ca -0.00 -0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1ba9 s PHE 20 Cb -0.01 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 42.76 1ba9 s PHE 20 CO -0.00 -0.26 -0.11 -2.00 0.70 0.00 0.00 175.22 173.55 1ba9 s GLU 21 N 1.29 3.37 -0.18 0.44 2.12 -0.37 -0.69 118.70 124.68 1ba9 s GLU 21 Ca -0.05 -0.67 -0.16 0.00 0.36 0.00 0.00 54.97 54.45 1ba9 s GLU 21 Cb -0.14 -2.74 -0.11 0.00 0.26 0.00 0.00 34.13 31.40 1ba9 s GLU 21 CO -0.02 0.08 -0.02 0.94 -0.54 0.00 0.00 175.26 175.70 1ba9 n GLN 22 N 3.93 0.52 0.00 4.30 -0.06 -1.26 -0.67 117.38 124.14 1ba9 n GLN 22 Ca -0.18 0.52 0.00 0.00 -2.00 0.00 0.00 57.00 55.33 1ba9 n GLN 22 Cb 0.52 -1.69 0.00 0.00 -4.06 0.00 0.00 30.24 25.01 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 -4.50 0.00 -3.90 3.69 4.81 -1.26 -4.48 118.16 112.52 1ba9 n LYS 23 Ca -0.23 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 56.86 1ba9 n LYS 23 Cb 0.52 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.43 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 2.75 0.45 1.64 2.02 -1.26 -4.90 118.70 119.40 1ba9 s GLU 24 Ca 0.00 -1.05 0.28 0.00 0.02 0.00 0.00 54.97 54.22 1ba9 s GLU 24 Cb 0.00 -3.12 1.33 0.00 0.10 0.00 0.00 34.13 32.44 1ba9 s GLU 24 CO 0.00 -0.48 1.73 0.66 0.02 0.00 0.00 175.26 177.19 1ba9 h SER 25 N 8.05 0.26 -0.22 -0.19 4.64 -1.85 0.67 113.55 124.91 1ba9 h SER 25 Ca -0.29 0.07 -0.17 0.00 -0.47 0.00 0.00 61.79 60.93 1ba9 h SER 25 Cb 1.10 0.04 -0.16 0.00 -0.31 0.00 0.00 62.40 63.07 1ba9 h SER 25 CO 0.57 -0.01 -0.64 -3.20 -0.87 0.00 0.00 176.83 172.68 1ba9 n ASN 26 N -4.49 2.55 -3.99 4.97 2.85 -1.26 -4.67 115.26 111.22 1ba9 n ASN 26 Ca 0.29 -3.68 -0.26 0.00 -0.11 0.00 0.00 54.58 50.81 1ba9 n ASN 26 Cb 1.17 -0.46 -0.08 0.00 1.24 0.00 0.00 39.78 41.65 1ba9 n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1ba9 s GLY 27 N -3.27 2.72 0.10 8.20 0.00 0.23 -5.13 107.32 110.17 1ba9 s GLY 27 Ca 0.41 -1.16 -0.30 0.00 0.00 0.00 0.00 44.72 43.67 1ba9 s GLY 27 CO -0.05 -1.82 1.19 2.56 0.00 0.00 0.00 173.10 174.99 1ba9 s PRO 28 N -3.64 4.46 0.40 2.90 0.04 -1.26 -4.78 135.00 133.12 1ba9 s PRO 28 Ca 0.22 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 1ba9 s PRO 28 Cb 0.01 -3.31 -0.08 0.00 0.04 0.00 0.00 34.50 31.16 1ba9 s PRO 28 CO 0.16 -0.19 0.82 0.08 0.04 0.00 0.00 177.00 177.90 1ba9 s VAL 29 N 0.69 4.65 -0.20 -0.36 1.01 0.56 -4.80 120.40 121.96 1ba9 s VAL 29 Ca 0.57 0.95 -0.05 0.00 0.00 0.00 0.00 61.98 63.45 1ba9 s VAL 29 Cb -0.30 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1ba9 s VAL 29 CO 0.31 -0.40 -0.01 -0.54 0.00 0.00 0.00 175.10 174.46 1ba9 s LYS 30 N -3.49 3.60 -0.10 2.72 -0.14 0.16 -2.37 119.74 120.11 1ba9 s LYS 30 Ca 0.55 -0.53 0.00 0.00 -1.36 0.00 0.00 55.97 54.63 1ba9 s LYS 30 Cb -0.10 -3.06 -0.02 0.00 -1.68 0.00 0.00 37.83 32.97 1ba9 s LYS 30 CO 0.24 0.01 -0.11 0.08 -0.76 0.00 0.00 175.35 174.81 1ba9 s VAL 31 N 1.00 3.31 0.04 3.17 1.01 0.24 -1.24 120.40 127.93 1ba9 s VAL 31 Ca 0.01 -0.59 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 1ba9 s VAL 31 Cb -0.14 -2.37 0.08 0.00 0.00 0.00 0.00 36.38 33.95 1ba9 s VAL 31 CO 0.02 0.55 0.72 -1.66 0.00 0.00 0.00 175.10 174.73 1ba9 s TRP 32 N -0.12 -0.50 0.16 5.22 -2.14 0.03 -0.77 118.94 120.82 1ba9 s TRP 32 Ca -0.00 0.50 -0.23 0.00 2.66 0.00 0.00 56.10 59.03 1ba9 s TRP 32 Cb -0.13 0.51 0.08 0.00 -3.10 0.00 0.00 33.47 30.83 1ba9 s TRP 32 CO 0.03 -0.68 1.07 0.20 -2.66 0.00 0.00 176.95 174.92 1ba9 s GLY 33 N -2.19 0.11 -0.35 3.67 0.00 0.09 0.34 107.32 108.99 1ba9 s GLY 33 Ca -0.01 -0.32 0.06 0.00 0.00 0.00 0.00 44.72 44.45 1ba9 s GLY 33 CO -0.06 3.08 0.56 -0.56 0.00 0.00 0.00 173.10 176.12 1ba9 s SER 34 N -3.50 -1.01 0.86 1.64 0.01 -1.22 -0.64 113.70 109.84 1ba9 s SER 34 Ca 0.24 -0.46 -0.11 0.00 1.31 0.00 0.00 55.95 56.92 1ba9 s SER 34 Cb -0.02 1.72 0.11 0.00 0.21 0.00 0.00 66.02 68.03 1ba9 s SER 34 CO 0.05 -0.25 1.09 -0.63 0.41 0.00 0.00 173.24 173.91 1ba9 s ILE 35 N 2.25 2.86 -0.33 1.44 1.01 -0.04 -2.67 121.20 125.73 1ba9 s ILE 35 Ca 0.13 0.28 0.06 0.00 0.00 0.00 0.00 60.65 61.12 1ba9 s ILE 35 Cb -0.09 -2.71 0.18 0.00 0.01 0.00 0.00 42.46 39.86 1ba9 s ILE 35 CO -0.17 -0.37 0.56 -0.75 0.00 0.00 0.00 174.94 174.22 1ba9 s LYS 36 N -4.88 0.63 0.00 2.79 2.36 0.11 -3.67 119.74 117.08 1ba9 s LYS 36 Ca 0.63 0.13 0.00 0.00 -2.55 0.00 0.00 55.97 54.18 1ba9 s LYS 36 Cb -0.18 0.06 0.00 0.00 -1.05 0.00 0.00 37.83 36.65 1ba9 s LYS 36 CO 0.57 -1.10 0.00 0.41 1.55 0.00 0.00 175.35 176.78 1ba9 n GLY 37 N 5.01 -1.00 3.87 5.54 0.00 0.10 -2.83 105.19 115.88 1ba9 n GLY 37 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 2.36 0.47 0.99 2.01 -0.78 -4.03 118.68 119.71 1ba9 s LEU 38 Ca 0.00 0.60 -0.02 0.00 0.01 0.00 0.00 54.13 54.72 1ba9 s LEU 38 Cb 0.00 -2.82 -0.01 0.00 0.01 0.00 0.00 46.19 43.37 1ba9 s LEU 38 CO 0.00 -2.52 0.73 0.28 1.01 0.00 0.00 176.35 175.84 1ba9 s THR 39 N -3.61 4.23 0.79 5.49 -1.32 -1.26 -4.18 115.64 115.78 1ba9 s THR 39 Ca 0.68 -0.26 -0.14 0.00 -1.21 0.00 0.00 61.69 60.76 1ba9 s THR 39 Cb -0.09 -3.59 0.05 0.00 -1.51 0.00 0.00 72.50 67.36 1ba9 s THR 39 CO 0.52 -0.48 1.02 -1.84 -2.21 0.00 0.00 174.62 171.62 1ba9 n GLU 40 N -2.18 0.22 0.00 7.08 0.28 -1.25 -4.62 120.64 120.17 1ba9 n GLU 40 Ca 0.01 0.14 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 1ba9 n GLU 40 Cb 0.57 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 31.16 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 0.86 -1.67 3.74 -1.84 0.00 -0.38 -4.84 105.19 101.05 1ba9 n GLY 41 Ca 0.13 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.12 0.99 1.02 -1.26 -0.62 118.68 123.21 1ba9 s LEU 42 Ca 0.00 1.71 0.00 0.00 0.02 0.00 0.00 54.13 55.87 1ba9 s LEU 42 Cb 0.00 -3.47 0.02 0.00 0.02 0.00 0.00 46.19 42.76 1ba9 s LEU 42 CO 0.00 0.02 -0.11 -1.00 0.02 0.00 0.00 176.35 175.28 1ba9 s HIS 43 N -0.35 1.75 0.46 0.29 3.76 0.70 -1.92 115.29 119.99 1ba9 s HIS 43 Ca 0.42 -0.88 -0.24 0.00 -0.15 0.00 0.00 55.06 54.22 1ba9 s HIS 43 Cb -0.23 -1.35 -0.07 0.00 1.11 0.00 0.00 32.58 32.04 1ba9 s HIS 43 CO 0.28 -0.52 1.28 0.20 -0.85 0.00 0.00 174.74 175.13 1ba9 s GLY 44 N 1.40 2.87 -0.11 -2.22 0.00 0.02 -0.61 107.32 108.66 1ba9 s GLY 44 Ca 0.01 1.18 -0.04 0.00 0.00 0.00 0.00 44.72 45.86 1ba9 s GLY 44 CO -0.06 1.71 0.21 -0.12 0.00 0.00 0.00 173.10 174.84 1ba9 s PHE 45 N -1.36 -0.31 0.14 1.90 5.36 -0.84 -0.52 117.98 122.36 1ba9 s PHE 45 Ca 0.63 0.80 -0.17 0.00 -0.96 0.00 0.00 56.93 57.23 1ba9 s PHE 45 Cb -0.36 -0.14 0.04 0.00 -0.34 0.00 0.00 43.02 42.22 1ba9 s PHE 45 CO 0.44 -0.31 0.44 -1.01 -1.46 0.00 0.00 175.22 173.33 1ba9 s HIS 46 N 2.32 -0.22 -0.31 10.12 3.76 -0.86 -2.87 115.29 127.23 1ba9 s HIS 46 Ca 0.02 -0.09 -0.29 0.00 -0.15 0.00 0.00 55.06 54.55 1ba9 s HIS 46 Cb -0.12 0.31 0.01 0.00 1.11 0.00 0.00 32.58 33.90 1ba9 s HIS 46 CO -0.07 -0.75 1.12 0.08 -0.85 0.00 0.00 174.74 174.26 1ba9 s VAL 47 N -3.81 4.44 0.38 -0.90 1.01 -0.61 -1.73 120.40 119.17 1ba9 s VAL 47 Ca 0.04 1.65 -0.09 0.00 0.00 0.00 0.00 61.98 63.58 1ba9 s VAL 47 Cb 0.01 -4.37 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 1ba9 s VAL 47 CO -0.10 -0.48 0.73 -1.00 0.00 0.00 0.00 175.10 174.25 1ba9 s HIS 48 N 3.77 3.47 0.00 5.22 3.76 0.86 -0.62 115.29 131.76 1ba9 s HIS 48 Ca 0.47 0.97 0.00 0.00 -0.15 0.00 0.00 55.06 56.35 1ba9 s HIS 48 Cb -0.13 -2.38 0.00 0.00 1.11 0.00 0.00 32.58 31.18 1ba9 s HIS 48 CO 0.17 -0.05 0.00 -1.91 -0.85 0.00 0.00 174.74 172.09 1ba9 n GLU 49 N -1.22 2.25 0.00 1.40 2.13 0.02 -3.67 120.64 121.54 1ba9 n GLU 49 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1ba9 n GLU 49 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.25 1ba9 n GLU 49 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ba9 n GLU 50 N 0.00 0.00 -0.86 5.31 -0.58 -1.26 -4.57 120.64 118.68 1ba9 n GLU 50 Ca 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 1ba9 n GLU 50 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 1ba9 n GLU 50 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ba9 n GLU 51 N 0.00 -2.16 -0.86 3.49 1.02 -1.26 -4.85 120.64 116.02 1ba9 n GLU 51 Ca 0.00 1.71 0.00 0.00 -0.02 0.00 0.00 57.16 58.85 1ba9 n GLU 51 Cb 0.00 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.17 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 -2.63 0.00 0.00 1.62 2.03 -1.05 -4.60 116.55 111.92 1ba9 n ASP 52 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1ba9 n ASP 52 Cb 0.32 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 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 0.28 0.00 -2.13 1.67 4.05 -1.26 -4.99 115.26 112.88 1ba9 n ASN 53 Ca 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 54.58 54.93 1ba9 n ASN 53 Cb 0.00 0.06 -0.13 0.00 1.23 0.00 0.00 39.78 40.94 1ba9 n ASN 53 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 1ba9 n THR 54 N -1.63 2.35 -0.31 -0.44 5.66 -1.26 -4.69 114.28 113.95 1ba9 n THR 54 Ca 0.00 -1.18 0.17 0.00 -3.05 0.00 0.00 64.05 59.99 1ba9 n THR 54 Cb 0.00 -1.90 0.36 0.00 -1.55 0.00 0.00 70.33 67.24 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 3.71 1.53 -1.67 1.79 0.00 -1.98 0.76 119.26 123.40 1ba9 h ALA 55 Ca 0.16 0.21 -0.56 0.00 0.00 0.00 0.00 54.91 54.72 1ba9 h ALA 55 Cb 1.16 0.25 -0.42 0.00 0.00 0.00 0.00 17.79 18.78 1ba9 h ALA 55 CO 0.32 -0.49 -0.78 0.41 0.00 0.00 0.00 179.25 178.71 1ba9 n GLY 56 N -1.34 5.31 2.66 0.00 0.00 -1.26 -4.92 105.19 105.64 1ba9 n GLY 56 Ca 0.25 -2.56 -0.17 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.31 0.00 -0.19 0.00 -1.04 -1.26 -4.11 114.28 105.38 1ba9 n THR 58 Ca -0.17 0.65 0.07 0.00 -2.04 0.00 0.00 64.05 62.56 1ba9 n THR 58 Cb 0.65 -1.33 0.36 0.00 -1.82 0.00 0.00 70.33 68.19 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 0.66 -5.63 8.00 0.02 -1.89 -3.46 113.55 111.24 1ba9 h SER 59 Ca 0.00 0.01 -0.32 0.00 -0.84 0.00 0.00 61.79 60.64 1ba9 h SER 59 Cb 0.00 -0.13 0.17 0.00 0.14 0.00 0.00 62.40 62.58 1ba9 h SER 59 CO 0.00 0.42 -0.79 0.00 -1.14 0.00 0.00 176.83 175.31 1ba9 n ALA 60 N -2.45 -2.12 -1.56 3.77 0.00 -1.26 -4.93 120.51 111.97 1ba9 n ALA 60 Ca 0.11 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 1ba9 n ALA 60 Cb 0.25 -3.09 -0.00 0.00 0.00 0.00 0.00 19.45 16.61 1ba9 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 61 N -1.17 -0.56 3.63 0.00 0.00 -1.26 -4.96 105.19 100.87 1ba9 n GLY 61 Ca -0.25 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1ba9 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ba9 s PRO 62 N -1.70 -0.50 0.12 1.61 0.04 -1.26 -4.25 135.00 129.06 1ba9 s PRO 62 Ca 0.61 0.17 -0.35 0.00 0.04 0.00 0.00 61.00 61.47 1ba9 s PRO 62 Cb -0.64 -1.66 -0.16 0.00 0.04 0.00 0.00 34.50 32.08 1ba9 s PRO 62 CO 0.58 -3.28 1.39 0.72 0.04 0.00 0.00 177.00 176.45 1ba9 n HIS 63 N -4.50 1.71 -2.15 0.56 8.25 -1.26 -0.80 115.22 117.03 1ba9 n HIS 63 Ca 0.09 0.54 -0.42 0.00 -0.26 0.00 0.00 57.72 57.67 1ba9 n HIS 63 Cb 0.59 -2.38 -0.03 0.00 1.12 0.00 0.00 29.99 29.29 1ba9 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ba9 s PHE 64 N 0.51 2.34 0.02 4.41 2.19 0.21 -4.69 117.98 122.98 1ba9 s PHE 64 Ca 0.81 0.50 -0.08 0.00 0.33 0.00 0.00 56.93 58.49 1ba9 s PHE 64 Cb -0.87 -3.77 -0.05 0.00 -1.31 0.00 0.00 43.02 37.02 1ba9 s PHE 64 CO 0.45 -3.08 0.31 -0.80 1.83 0.00 0.00 175.22 173.94 1ba9 s ASN 65 N 2.75 6.56 0.00 6.13 -0.87 -1.26 -2.88 114.94 125.37 1ba9 s ASN 65 Ca 0.67 0.66 0.00 0.00 -1.57 0.00 0.00 52.86 52.62 1ba9 s ASN 65 Cb -0.30 -2.13 0.00 0.00 -0.02 0.00 0.00 41.25 38.80 1ba9 s ASN 65 CO 0.25 0.24 0.00 -0.81 -2.57 0.00 0.00 177.10 174.21 1ba9 n PRO 66 N 1.15 0.00 -2.10 -0.60 -0.04 -1.26 -4.62 135.00 127.53 1ba9 n PRO 66 Ca -0.11 0.34 -0.24 0.00 -0.04 0.00 0.00 63.50 63.46 1ba9 n PRO 66 Cb 0.53 -0.83 0.02 0.00 -0.04 0.00 0.00 33.50 33.17 1ba9 n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ba9 n LEU 67 N -1.99 4.80 -2.45 1.53 4.77 -1.26 -4.95 117.00 117.45 1ba9 n LEU 67 Ca 0.00 -4.76 -0.19 0.00 -0.03 0.00 0.00 56.01 51.03 1ba9 n LEU 67 Cb 0.00 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1ba9 n LEU 67 CO 0.00 2.10 -0.05 -1.20 -1.33 0.00 0.00 177.39 176.91 1ba9 n SER 68 N -0.68 -5.38 -4.86 -1.43 7.64 -1.26 -5.00 113.62 102.65 1ba9 n SER 68 Ca 0.42 -0.19 -0.29 0.00 1.01 0.00 0.00 58.87 59.82 1ba9 n SER 68 Cb 0.93 -4.27 0.09 0.00 -1.01 0.00 0.00 64.21 59.95 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 -5.38 1.95 0.75 1.43 0.52 -1.26 -5.08 118.95 111.88 1ba9 s ARG 69 Ca 0.20 0.27 -0.09 0.00 -0.52 0.00 0.00 55.73 55.59 1ba9 s ARG 69 Cb -0.09 -1.93 0.06 0.00 0.52 0.00 0.00 34.95 33.51 1ba9 s ARG 69 CO 0.25 -1.63 1.09 0.15 0.02 0.00 0.00 175.30 175.17 1ba9 s LYS 70 N -5.43 2.17 0.51 3.54 1.02 -1.26 -4.85 119.74 115.44 1ba9 s LYS 70 Ca 0.62 -0.04 -0.19 0.00 0.02 0.00 0.00 55.97 56.37 1ba9 s LYS 70 Cb -0.12 -2.07 -0.07 0.00 -0.52 0.00 0.00 37.83 35.04 1ba9 s LYS 70 CO 0.51 -1.36 1.06 -1.58 -0.92 0.00 0.00 175.35 173.06 1ba9 s HIS 71 N -3.39 2.94 0.00 3.18 5.65 0.61 -3.41 115.29 120.87 1ba9 s HIS 71 Ca 0.61 1.56 0.00 0.00 0.25 0.00 0.00 55.06 57.48 1ba9 s HIS 71 Cb -0.11 -3.09 0.00 0.00 -1.18 0.00 0.00 32.58 28.20 1ba9 s HIS 71 CO 0.47 -1.00 0.00 0.41 -0.65 0.00 0.00 174.74 173.97 1ba9 n GLY 72 N -0.29 1.35 3.99 1.59 0.00 -0.87 -4.22 105.19 106.74 1ba9 n GLY 72 Ca 0.10 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.63 1.83 0.62 -0.02 0.00 -1.26 -4.61 107.32 103.25 1ba9 s GLY 73 Ca 0.00 -1.58 0.37 0.00 0.00 0.00 0.00 44.72 43.52 1ba9 s GLY 73 CO 0.00 -1.24 2.28 -0.56 0.00 0.00 0.00 173.10 173.58 1ba9 h PRO 74 N 0.09 0.00 -0.21 2.90 0.13 -1.94 -0.55 132.00 132.43 1ba9 h PRO 74 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1ba9 h PRO 74 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ba9 h PRO 74 CO 0.47 0.01 0.00 1.63 -0.23 0.00 0.00 178.00 179.88 1ba9 n LYS 75 N -3.39 2.62 -1.97 0.86 5.02 -1.26 -5.01 118.16 115.02 1ba9 n LYS 75 Ca -0.03 -2.48 -0.30 0.00 -2.02 0.00 0.00 58.31 53.48 1ba9 n LYS 75 Cb 0.11 -1.57 0.02 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.80 5.91 0.18 4.39 1.01 -0.21 -4.97 116.67 121.17 1ba9 s ASP 76 Ca 0.32 1.23 -0.12 0.00 0.71 0.00 0.00 52.55 54.69 1ba9 s ASP 76 Cb 0.25 -2.21 0.10 0.00 1.01 0.00 0.00 42.92 42.07 1ba9 s ASP 76 CO 0.08 -1.03 1.79 -0.08 0.21 0.00 0.00 175.17 176.15 1ba9 h GLU 77 N -0.38 0.90 -4.64 8.23 4.81 -1.95 -3.38 114.58 118.16 1ba9 h GLU 77 Ca -0.45 -0.11 -0.70 0.00 -0.13 0.00 0.00 59.36 57.97 1ba9 h GLU 77 Cb 1.22 -0.17 -0.25 0.00 0.63 0.00 0.00 28.75 30.18 1ba9 h GLU 77 CO 0.63 0.69 -0.54 -1.21 -0.73 0.00 0.00 179.01 177.84 1ba9 s GLU 78 N -5.81 2.86 -0.00 1.92 2.02 -1.26 -5.06 118.70 113.37 1ba9 s GLU 78 Ca -0.13 -1.04 0.03 0.00 0.02 0.00 0.00 54.97 53.85 1ba9 s GLU 78 Cb 0.13 -3.64 -0.01 0.00 0.10 0.00 0.00 34.13 30.72 1ba9 s GLU 78 CO 0.78 -0.64 -0.11 -0.98 0.02 0.00 0.00 175.26 174.33 1ba9 s ARG 79 N 1.53 0.87 0.88 1.61 1.70 -1.22 -2.05 118.95 122.26 1ba9 s ARG 79 Ca 0.02 -0.45 -0.12 0.00 -0.47 0.00 0.00 55.73 54.71 1ba9 s ARG 79 Cb -0.19 -0.84 0.16 0.00 -0.57 0.00 0.00 34.95 33.51 1ba9 s ARG 79 CO 0.06 0.23 1.23 -1.01 -1.08 0.00 0.00 175.30 174.72 1ba9 s HIS 80 N -0.37 1.92 0.21 5.89 3.76 -1.25 -4.80 115.29 120.65 1ba9 s HIS 80 Ca 0.03 0.31 -0.10 0.00 -0.15 0.00 0.00 55.06 55.15 1ba9 s HIS 80 Cb -0.05 -3.78 0.22 0.00 1.11 0.00 0.00 32.58 30.08 1ba9 s HIS 80 CO -0.00 -2.27 1.82 -0.24 -0.85 0.00 0.00 174.74 173.20 1ba9 h VAL 81 N -1.30 1.01 -1.30 -0.90 3.04 -1.81 -3.01 116.25 111.98 1ba9 h VAL 81 Ca -0.43 -0.25 -0.54 0.00 -1.01 0.00 0.00 66.70 64.46 1ba9 h VAL 81 Cb 1.26 0.22 -0.42 0.00 -2.01 0.00 0.00 31.29 30.34 1ba9 h VAL 81 CO 0.45 0.13 -0.82 0.61 -1.01 0.00 0.00 177.57 176.93 1ba9 n GLY 82 N -1.28 5.39 3.50 3.17 0.00 -1.26 -4.80 105.19 109.91 1ba9 n GLY 82 Ca 0.08 -2.52 -0.43 0.00 0.00 0.00 0.00 46.02 43.15 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 -3.51 6.88 -0.18 1.61 1.01 -1.14 -1.58 116.67 119.77 1ba9 s ASP 83 Ca 0.45 -2.54 -0.05 0.00 0.71 0.00 0.00 52.55 51.12 1ba9 s ASP 83 Cb 0.41 -2.47 -0.14 0.00 1.01 0.00 0.00 42.92 41.73 1ba9 s ASP 83 CO -0.12 -0.99 3.30 0.18 0.21 0.00 0.00 175.17 177.75 1ba9 n LEU 84 N 6.89 5.72 0.00 1.23 4.77 -1.14 -3.72 117.00 130.75 1ba9 n LEU 84 Ca 0.38 -3.52 0.00 0.00 -0.03 0.00 0.00 56.01 52.84 1ba9 n LEU 84 Cb 0.45 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1ba9 n LEU 84 CO 0.65 1.71 0.00 0.61 -1.33 0.00 0.00 177.39 179.03 1ba9 n GLY 85 N 1.88 0.37 3.14 -0.72 0.00 -1.26 -4.50 105.19 104.09 1ba9 n GLY 85 Ca 0.45 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.78 0.63 0.34 1.61 2.20 -1.26 -1.99 114.94 115.68 1ba9 s ASN 86 Ca 0.00 -1.09 0.09 0.00 -0.94 0.00 0.00 52.86 50.93 1ba9 s ASN 86 Cb 0.00 0.20 -0.06 0.00 -2.00 0.00 0.00 41.25 39.40 1ba9 s ASN 86 CO 0.00 -0.61 -0.05 0.68 -2.94 0.00 0.00 177.10 174.18 1ba9 s VAL 87 N -3.88 2.48 -0.24 3.54 -7.23 0.22 -4.91 120.40 110.38 1ba9 s VAL 87 Ca 0.15 -2.10 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 1ba9 s VAL 87 Cb 0.07 -2.70 0.02 0.00 0.56 0.00 0.00 36.38 34.33 1ba9 s VAL 87 CO -0.04 -0.22 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.57 1ba9 s THR 88 N -2.55 2.84 0.12 5.32 2.01 -1.26 -0.21 115.64 121.91 1ba9 s THR 88 Ca 0.33 -1.01 -0.24 0.00 0.31 0.00 0.00 61.69 61.09 1ba9 s THR 88 Cb 0.00 -2.43 -0.07 0.00 0.01 0.00 0.00 72.50 70.01 1ba9 s THR 88 CO 0.18 0.22 0.72 0.00 -0.69 0.00 0.00 174.62 175.05 1ba9 s ALA 89 N 1.32 3.48 1.03 7.40 0.00 0.20 -4.15 121.76 131.05 1ba9 s ALA 89 Ca 0.00 0.26 -0.14 0.00 0.00 0.00 0.00 51.96 52.09 1ba9 s ALA 89 Cb -0.16 -2.87 0.21 0.00 0.00 0.00 0.00 23.12 20.29 1ba9 s ALA 89 CO -0.05 0.29 1.11 0.34 0.00 0.00 0.00 175.76 177.45 1ba9 s ASP 90 N -0.99 2.34 0.64 0.00 -1.08 0.39 -1.25 116.67 116.72 1ba9 s ASP 90 Ca 0.34 1.01 0.37 0.00 -0.52 0.00 0.00 52.55 53.76 1ba9 s ASP 90 Cb -0.22 -1.58 2.06 0.00 -1.46 0.00 0.00 42.92 41.73 1ba9 s ASP 90 CO 0.24 -3.29 2.23 0.07 0.52 0.00 0.00 175.17 174.94 1ba9 h LYS 91 N -2.00 0.00 -0.16 4.34 2.10 -1.96 0.99 116.57 119.88 1ba9 h LYS 91 Ca -0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 1ba9 h LYS 91 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1ba9 h LYS 91 CO 0.54 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.74 1ba9 n ASP 92 N -3.30 2.34 0.00 7.07 9.92 -1.26 -4.85 116.55 126.48 1ba9 n ASP 92 Ca -0.02 -1.79 0.00 0.00 -0.53 0.00 0.00 54.79 52.45 1ba9 n ASP 92 Cb 0.17 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.56 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 1.28 0.43 3.28 0.44 0.00 0.34 -4.69 105.19 106.26 1ba9 n GLY 93 Ca 0.17 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 1ba9 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ba9 s VAL 94 N -2.00 3.47 -0.47 1.61 1.01 -1.26 -0.73 120.40 122.04 1ba9 s VAL 94 Ca 0.00 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 60.94 1ba9 s VAL 94 Cb 0.00 -2.79 0.05 0.00 0.00 0.00 0.00 36.38 33.65 1ba9 s VAL 94 CO 0.00 0.12 0.46 0.00 0.00 0.00 0.00 175.10 175.68 1ba9 s ALA 95 N 1.41 3.48 0.36 5.51 0.00 -1.24 -0.46 121.76 130.82 1ba9 s ALA 95 Ca 0.01 -1.86 -0.28 0.00 0.00 0.00 0.00 51.96 49.83 1ba9 s ALA 95 Cb -0.17 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 1ba9 s ALA 95 CO -0.01 -1.77 1.32 0.34 0.00 0.00 0.00 175.76 175.65 1ba9 s ASP 96 N 2.41 6.57 0.00 0.00 -1.08 -1.26 -0.86 116.67 122.46 1ba9 s ASP 96 Ca 0.09 2.70 0.08 0.00 -0.52 0.00 0.00 52.55 54.91 1ba9 s ASP 96 Cb -0.21 -2.65 -0.02 0.00 -1.46 0.00 0.00 42.92 38.58 1ba9 s ASP 96 CO 0.10 -0.67 -0.26 -0.69 0.52 0.00 0.00 175.17 174.17 1ba9 s VAL 97 N -1.18 2.13 -0.31 1.11 1.01 0.19 -4.51 120.40 118.83 1ba9 s VAL 97 Ca 0.52 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1ba9 s VAL 97 Cb -0.40 -1.77 0.19 0.00 0.00 0.00 0.00 36.38 34.40 1ba9 s VAL 97 CO 0.52 0.50 0.70 -0.55 0.00 0.00 0.00 175.10 176.27 1ba9 s SER 98 N -0.86 -1.35 0.28 3.32 0.15 -1.25 -0.73 113.70 113.26 1ba9 s SER 98 Ca 0.11 0.00 -0.05 0.00 0.70 0.00 0.00 55.95 56.71 1ba9 s SER 98 Cb -0.10 1.82 0.02 0.00 -1.71 0.00 0.00 66.02 66.05 1ba9 s SER 98 CO 0.00 -0.23 0.45 0.00 1.20 0.00 0.00 173.24 174.67 1ba9 n ILE 99 N 5.14 0.00 -3.99 6.45 3.06 0.05 -5.01 119.36 125.07 1ba9 n ILE 99 Ca 0.07 -1.20 -0.09 0.00 -2.50 0.00 0.00 62.75 59.02 1ba9 n ILE 99 Cb 0.56 0.83 -0.11 0.00 0.54 0.00 0.00 39.64 41.46 1ba9 n ILE 99 CO 0.00 0.00 0.00 -1.83 -2.50 0.00 0.00 176.55 172.22 1ba9 s GLU 100 N -2.45 0.33 0.11 9.51 -1.05 -1.26 -0.59 118.70 123.30 1ba9 s GLU 100 Ca 0.20 -0.64 0.03 0.00 -0.15 0.00 0.00 54.97 54.40 1ba9 s GLU 100 Cb -0.02 0.09 -0.04 0.00 -0.44 0.00 0.00 34.13 33.72 1ba9 s GLU 100 CO 0.14 -0.05 -0.08 -0.51 0.95 0.00 0.00 175.26 175.71 1ba9 s ASP 101 N -1.53 1.37 -0.08 0.83 1.01 -1.00 -4.95 116.67 112.32 1ba9 s ASP 101 Ca -0.15 -1.00 0.23 0.00 0.71 0.00 0.00 52.55 52.35 1ba9 s ASP 101 Cb -0.09 0.06 0.45 0.00 1.01 0.00 0.00 42.92 44.34 1ba9 s ASP 101 CO -0.01 -0.41 1.16 -1.20 0.21 0.00 0.00 175.17 174.92 1ba9 n SER 102 N -0.06 1.29 -0.10 0.27 7.64 -1.26 -0.32 113.62 121.07 1ba9 n SER 102 Ca -0.12 -2.24 -0.14 0.00 1.01 0.00 0.00 58.87 57.39 1ba9 n SER 102 Cb 0.61 -0.36 -0.05 0.00 -1.01 0.00 0.00 64.21 63.40 1ba9 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ba9 n VAL 103 N 0.10 1.50 -1.27 0.44 0.31 -1.26 -5.02 118.33 113.12 1ba9 n VAL 103 Ca 0.08 0.01 -0.30 0.00 -0.01 0.00 0.00 64.34 64.13 1ba9 n VAL 103 Cb 1.03 -2.22 0.14 0.00 -0.91 0.00 0.00 33.84 31.88 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 -2.79 2.60 0.00 2.52 -0.00 -1.26 -4.93 121.20 117.33 1ba9 s ILE 104 Ca -0.31 0.19 0.00 0.00 -0.00 0.00 0.00 60.65 60.53 1ba9 s ILE 104 Cb 0.07 -2.74 0.00 0.00 -0.00 0.00 0.00 42.46 39.79 1ba9 s ILE 104 CO 0.44 -0.25 0.00 -1.20 -0.00 0.00 0.00 174.94 173.92 1ba9 n SER 105 N -3.85 3.37 0.00 4.36 7.64 0.30 -4.92 113.62 120.52 1ba9 n SER 105 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1ba9 n SER 105 Cb 0.56 0.61 0.00 0.00 -1.01 0.00 0.00 64.21 64.37 1ba9 n SER 105 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1ba9 n LEU 106 N -1.10 0.00 -2.94 -3.43 0.00 -0.32 -4.48 117.00 104.73 1ba9 n LEU 106 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 56.01 56.02 1ba9 n LEU 106 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.48 1ba9 n LEU 106 CO 0.00 0.00 0.31 -0.94 0.00 0.00 0.00 177.39 176.76 1ba9 s SER 107 N -0.62 -0.84 0.00 1.96 1.04 -1.26 -4.17 113.70 109.81 1ba9 s SER 107 Ca 0.00 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1ba9 s SER 107 Cb 0.00 1.08 0.00 0.00 0.10 0.00 0.00 66.02 67.20 1ba9 s SER 107 CO 0.00 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1ba9 n GLY 108 N 3.89 -0.64 0.34 7.32 0.00 -1.26 -4.87 105.19 109.96 1ba9 n GLY 108 Ca 0.08 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 -0.68 -0.40 1.61 2.03 -1.98 -3.30 116.42 113.71 1ba9 h ASP 109 Ca 0.00 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.01 1ba9 h ASP 109 Cb 0.00 0.18 -0.11 0.00 -0.83 0.00 0.00 39.33 38.57 1ba9 h ASP 109 CO 0.00 -0.28 -0.04 1.41 -1.03 0.00 0.00 179.24 179.30 1ba9 n HIS 110 N -5.31 0.64 -1.55 4.15 8.25 -1.26 -4.86 115.22 115.28 1ba9 n HIS 110 Ca -0.10 -1.64 -0.37 0.00 -0.26 0.00 0.00 57.72 55.35 1ba9 n HIS 110 Cb 0.33 -1.40 -0.04 0.00 1.12 0.00 0.00 29.99 30.00 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 1.73 2.17 0.26 0.41 7.64 -1.24 -0.54 113.62 124.04 1ba9 n SER 111 Ca 0.41 -0.41 0.10 0.00 1.01 0.00 0.00 58.87 59.97 1ba9 n SER 111 Cb 0.74 -1.52 0.70 0.00 -1.01 0.00 0.00 64.21 63.11 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 7.71 0.87 -1.56 0.44 3.07 -1.89 -3.42 117.51 122.71 1ba9 h ILE 112 Ca -0.23 -0.15 -0.64 0.00 1.55 0.00 0.00 64.86 65.39 1ba9 h ILE 112 Cb 1.27 1.08 -0.00 0.00 -0.27 0.00 0.00 36.82 38.91 1ba9 h ILE 112 CO 1.17 0.04 1.32 -0.38 -1.05 0.00 0.00 178.15 179.25 1ba9 n ILE 113 N -4.25 0.34 0.00 0.16 2.08 -1.26 -0.36 119.36 116.06 1ba9 n ILE 113 Ca -0.03 -0.25 0.00 0.00 0.56 0.00 0.00 62.75 63.03 1ba9 n ILE 113 Cb 0.13 -1.88 0.00 0.00 -0.75 0.00 0.00 39.64 37.14 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 5.65 2.17 3.74 7.39 0.00 0.25 -5.00 105.19 119.39 1ba9 n GLY 114 Ca 0.33 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 1.41 -0.26 1.61 0.52 0.51 -2.51 118.95 120.22 1ba9 s ARG 115 Ca 0.00 0.74 -0.10 0.00 -0.52 0.00 0.00 55.73 55.86 1ba9 s ARG 115 Cb 0.00 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.59 1ba9 s ARG 115 CO 0.00 -2.12 0.15 0.99 0.02 0.00 0.00 175.30 174.34 1ba9 s THR 116 N -3.00 5.07 -0.11 0.02 2.01 -1.24 -0.76 115.64 117.63 1ba9 s THR 116 Ca 0.63 0.09 -0.06 0.00 0.31 0.00 0.00 61.69 62.65 1ba9 s THR 116 Cb -0.17 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1ba9 s THR 116 CO 0.56 0.30 0.11 -0.76 -0.69 0.00 0.00 174.62 174.14 1ba9 s LEU 117 N 1.53 4.24 0.00 4.42 1.43 0.11 -0.10 118.68 130.32 1ba9 s LEU 117 Ca 0.07 0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.56 1ba9 s LEU 117 Cb -0.15 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 1ba9 s LEU 117 CO 0.08 0.40 0.02 -0.69 0.23 0.00 0.00 176.35 176.39 1ba9 s VAL 118 N -1.00 0.05 0.04 -1.59 1.01 -0.71 -0.53 120.40 117.67 1ba9 s VAL 118 Ca 0.15 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1ba9 s VAL 118 Cb -0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1ba9 s VAL 118 CO 0.04 -0.22 -0.01 0.54 0.00 0.00 0.00 175.10 175.44 1ba9 s VAL 119 N -0.65 3.99 0.17 2.92 0.11 -0.24 -2.02 120.40 124.68 1ba9 s VAL 119 Ca -0.07 -0.80 0.07 0.00 -2.93 0.00 0.00 61.98 58.25 1ba9 s VAL 119 Cb -0.04 -2.82 -0.04 0.00 -1.53 0.00 0.00 36.38 31.94 1ba9 s VAL 119 CO -0.00 0.27 -0.00 -1.00 -3.33 0.00 0.00 175.10 171.03 1ba9 s HIS 120 N -1.16 2.85 0.08 1.54 3.76 0.32 -1.87 115.29 120.80 1ba9 s HIS 120 Ca 0.22 -0.13 -0.29 0.00 -0.15 0.00 0.00 55.06 54.70 1ba9 s HIS 120 Cb -0.11 -1.38 -0.17 0.00 1.11 0.00 0.00 32.58 32.02 1ba9 s HIS 120 CO 0.13 0.51 1.66 1.49 -0.85 0.00 0.00 174.74 177.69 1ba9 h GLU 121 N 2.75 -0.56 -6.69 1.40 4.81 -0.77 -3.32 114.58 112.20 1ba9 h GLU 121 Ca -0.47 0.04 -0.44 0.00 -0.13 0.00 0.00 59.36 58.36 1ba9 h GLU 121 Cb 1.20 0.13 0.04 0.00 0.63 0.00 0.00 28.75 30.75 1ba9 h GLU 121 CO 0.58 -0.38 -0.11 0.15 -0.73 0.00 0.00 179.01 178.52 1ba9 s LYS 122 N -6.10 2.53 0.39 1.92 1.02 0.77 -4.57 119.74 115.70 1ba9 s LYS 122 Ca -0.16 -1.10 -0.26 0.00 0.02 0.00 0.00 55.97 54.47 1ba9 s LYS 122 Cb 0.05 -2.60 -0.09 0.00 -0.52 0.00 0.00 37.83 34.67 1ba9 s LYS 122 CO 0.64 -0.64 1.27 0.00 -0.92 0.00 0.00 175.35 175.70 1ba9 s ALA 123 N -2.63 3.28 -0.32 5.17 0.00 -0.81 -0.80 121.76 125.64 1ba9 s ALA 123 Ca 0.58 1.18 -0.28 0.00 0.00 0.00 0.00 51.96 53.44 1ba9 s ALA 123 Cb -0.09 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1ba9 s ALA 123 CO 0.37 -0.72 2.00 0.34 0.00 0.00 0.00 175.76 177.74 1ba9 s ASP 124 N -0.78 5.58 0.00 0.00 2.15 -1.26 -4.26 116.67 118.10 1ba9 s ASP 124 Ca 0.55 1.42 0.13 0.00 0.43 0.00 0.00 52.55 55.09 1ba9 s ASP 124 Cb -0.37 -2.52 0.74 0.00 -0.30 0.00 0.00 42.92 40.48 1ba9 s ASP 124 CO 0.47 -1.94 1.29 -0.67 -0.17 0.00 0.00 175.17 174.16 1ba9 n ASP 125 N 11.40 0.00 -3.44 -0.34 2.03 0.54 -4.82 116.55 121.92 1ba9 n ASP 125 Ca 0.26 -0.16 -0.23 0.00 0.52 0.00 0.00 54.79 55.18 1ba9 n ASP 125 Cb 0.47 -0.15 -0.02 0.00 -0.72 0.00 0.00 41.12 40.71 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ba9 n LEU 126 N -1.15 -1.19 0.00 -2.67 4.77 -1.26 -0.47 117.00 115.04 1ba9 n LEU 126 Ca 0.08 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1ba9 n LEU 126 Cb 0.08 -1.86 0.00 0.00 -2.33 0.00 0.00 43.42 39.30 1ba9 n LEU 126 CO 0.09 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1ba9 n GLY 127 N -1.05 1.14 0.23 -0.72 0.00 -1.25 -4.44 105.19 99.10 1ba9 n GLY 127 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ba9 h LYS 128 N 1.82 0.09 -0.12 1.61 1.79 -1.10 -0.40 116.57 120.25 1ba9 h LYS 128 Ca 0.00 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.49 1ba9 h LYS 128 Cb 0.00 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1ba9 h LYS 128 CO 0.00 0.25 0.18 0.78 -1.08 0.00 0.00 179.45 179.59 1ba9 h GLY 129 N 0.63 0.00 -4.21 3.86 0.00 -1.90 -3.47 103.07 97.98 1ba9 h GLY 129 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.19 1ba9 h GLY 129 CO 0.02 0.00 -0.46 0.61 0.00 0.00 0.00 176.54 176.72 1ba9 n GLY 130 N -1.32 -0.13 3.29 4.60 0.00 -0.16 -5.05 105.19 106.41 1ba9 n GLY 130 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.46 -0.23 0.31 1.61 6.03 -1.26 -5.03 114.94 112.91 1ba9 s ASN 131 Ca 0.14 -0.01 0.08 0.00 -1.03 0.00 0.00 52.86 52.04 1ba9 s ASN 131 Cb -0.02 0.39 0.88 0.00 -3.03 0.00 0.00 41.25 39.47 1ba9 s ASN 131 CO 0.41 -0.60 1.67 -0.33 -2.03 0.00 0.00 177.10 176.22 1ba9 h GLU 132 N 3.25 0.33 0.00 3.55 5.08 -1.97 0.21 114.58 125.04 1ba9 h GLU 132 Ca -0.31 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1ba9 h GLU 132 Cb 1.19 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1ba9 h GLU 132 CO 0.43 0.22 0.00 0.94 -1.00 0.00 0.00 179.01 179.60 1ba9 n GLN 133 N -5.08 0.00 -0.35 2.33 0.00 -1.26 -0.06 117.38 112.97 1ba9 n GLN 133 Ca 0.26 0.56 -0.09 0.00 -0.00 0.00 0.00 57.00 57.73 1ba9 n GLN 133 Cb 0.80 -1.39 -0.06 0.00 0.00 0.00 0.00 30.24 29.60 1ba9 n GLN 133 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 1ba9 h SER 134 N 0.00 -1.86 0.21 1.69 0.02 -1.82 0.56 113.55 112.35 1ba9 h SER 134 Ca 0.00 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1ba9 h SER 134 Cb 0.00 0.85 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1ba9 h SER 134 CO 0.00 -0.28 0.00 0.41 -1.14 0.00 0.00 176.83 175.82 1ba9 n THR 135 N -5.34 0.40 -0.05 -2.27 -1.04 0.72 0.13 114.28 106.83 1ba9 n THR 135 Ca 0.03 0.10 -0.06 0.00 -2.04 0.00 0.00 64.05 62.08 1ba9 n THR 135 Cb 0.32 -0.84 -0.07 0.00 -1.82 0.00 0.00 70.33 67.91 1ba9 n THR 135 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1ba9 n LYS 136 N -1.21 1.80 0.00 -2.82 4.81 0.92 -0.29 118.16 121.38 1ba9 n LYS 136 Ca 0.09 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1ba9 n LYS 136 Cb 0.11 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 33.91 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 -2.51 0.00 -0.99 3.15 -2.24 0.19 -4.59 114.28 107.29 1ba9 n THR 137 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1ba9 n THR 137 Cb 0.79 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 1.60 0.85 2.38 3.38 0.00 0.12 -4.21 105.19 109.30 1ba9 n GLY 138 Ca 0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.24 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 1.23 -4.83 -0.05 1.61 5.15 -1.26 -0.34 115.26 116.78 1ba9 n ASN 139 Ca 0.00 0.35 0.15 0.00 -0.60 0.00 0.00 54.58 54.48 1ba9 n ASN 139 Cb 0.19 -4.26 0.74 0.00 -0.53 0.00 0.00 39.78 35.91 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 0.30 2.62 -0.53 5.20 0.00 -1.26 -4.82 120.51 122.01 1ba9 n ALA 140 Ca -0.19 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1ba9 n ALA 140 Cb 0.60 -1.43 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 1.23 -1.14 3.62 0.00 0.00 -1.26 -0.16 105.19 107.47 1ba9 n GLY 141 Ca 0.16 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 1ba9 n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ba9 n SER 142 N -1.26 0.59 -4.49 1.61 7.64 -1.26 -4.46 113.62 112.00 1ba9 n SER 142 Ca 0.00 0.68 -0.43 0.00 1.01 0.00 0.00 58.87 60.13 1ba9 n SER 142 Cb 0.00 -1.42 -0.04 0.00 -1.01 0.00 0.00 64.21 61.74 1ba9 n SER 142 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ba9 s ARG 143 N -3.31 3.21 0.13 1.43 0.52 -1.26 -0.63 118.95 119.03 1ba9 s ARG 143 Ca 0.74 -0.56 -0.18 0.00 -0.52 0.00 0.00 55.73 55.20 1ba9 s ARG 143 Cb -0.35 -4.15 -0.03 0.00 0.52 0.00 0.00 34.95 30.94 1ba9 s ARG 143 CO 0.49 -1.68 1.78 -0.07 0.02 0.00 0.00 175.30 175.85 1ba9 h LEU 144 N 11.23 0.25 -8.00 2.53 -0.00 -1.65 -3.45 115.31 116.21 1ba9 h LEU 144 Ca -0.28 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.47 1ba9 h LEU 144 Cb 1.07 -0.05 -0.18 0.00 -0.00 0.00 0.00 40.66 41.51 1ba9 h LEU 144 CO 1.14 0.18 -0.60 0.00 -0.00 0.00 0.00 178.44 179.16 1ba9 s ALA 145 N -6.17 0.12 0.15 1.53 0.00 -1.23 -4.12 121.76 112.04 1ba9 s ALA 145 Ca -0.13 -0.73 0.09 0.00 0.00 0.00 0.00 51.96 51.19 1ba9 s ALA 145 Cb 0.09 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1ba9 s ALA 145 CO 0.70 -0.30 -0.20 0.00 0.00 0.00 0.00 175.76 175.96 1ba9 s GLY 147 N -2.50 -0.58 0.32 0.00 0.00 0.31 -0.82 107.32 104.05 1ba9 s GLY 147 Ca 0.14 2.18 -0.28 0.00 0.00 0.00 0.00 44.72 46.77 1ba9 s GLY 147 CO 0.06 2.37 1.10 0.14 0.00 0.00 0.00 173.10 176.77 1ba9 s VAL 148 N 1.85 3.50 -0.17 1.40 1.01 -1.26 -0.71 120.40 126.02 1ba9 s VAL 148 Ca -0.09 1.39 -0.20 0.00 0.00 0.00 0.00 61.98 63.08 1ba9 s VAL 148 Cb -0.07 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1ba9 s VAL 148 CO -0.18 0.24 0.59 -0.63 0.00 0.00 0.00 175.10 175.12 1ba9 s ILE 149 N -1.31 5.07 0.31 2.22 1.01 0.06 -4.09 121.20 124.47 1ba9 s ILE 149 Ca 0.49 1.13 0.07 0.00 0.00 0.00 0.00 60.65 62.34 1ba9 s ILE 149 Cb -0.29 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 1ba9 s ILE 149 CO 0.38 0.18 0.26 0.61 0.00 0.00 0.00 174.94 176.36 1ba9 n GLY 150 N 3.64 3.00 3.77 6.18 0.00 0.05 -0.58 105.19 121.25 1ba9 n GLY 150 Ca -0.03 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.24 3.69 -0.48 -0.61 1.01 -1.26 -0.26 121.20 120.04 1ba9 s ILE 151 Ca 0.36 1.45 -0.27 0.00 0.00 0.00 0.00 60.65 62.19 1ba9 s ILE 151 Cb 0.02 -3.83 0.03 0.00 0.01 0.00 0.00 42.46 38.69 1ba9 s ILE 151 CO 0.26 0.16 1.04 0.00 0.00 0.00 0.00 174.94 176.40 1ba9 s ALA 152 N -1.47 3.18 0.00 9.38 0.00 0.12 -4.53 121.76 128.44 1ba9 s ALA 152 Ca 0.52 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1ba9 s ALA 152 Cb -0.25 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.08 1ba9 s ALA 152 CO 0.32 -2.20 0.00 0.94 0.00 0.00 0.00 175.76 174.82