#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 -2.53 0.00 -2.24 -1.26 -3.57 114.28 104.68 1ba9 n THR 2 Ca 0.00 -0.81 -0.42 0.00 -2.27 0.00 0.00 64.05 60.55 1ba9 n THR 2 Cb 0.00 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 1ba9 n THR 2 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1ba9 s LYS 3 N -2.07 4.37 0.22 -0.78 -2.85 -1.26 -2.77 119.74 114.59 1ba9 s LYS 3 Ca 0.18 1.59 0.07 0.00 -1.00 0.00 0.00 55.97 56.81 1ba9 s LYS 3 Cb -0.04 -3.55 -0.05 0.00 -2.06 0.00 0.00 37.83 32.13 1ba9 s LYS 3 CO 0.09 -0.41 -0.12 0.00 0.10 0.00 0.00 175.35 175.02 1ba9 s ALA 4 N 2.15 2.03 0.05 0.59 0.00 0.13 -1.99 121.76 124.72 1ba9 s ALA 4 Ca 0.54 -1.70 0.02 0.00 0.00 0.00 0.00 51.96 50.82 1ba9 s ALA 4 Cb -0.23 -0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1ba9 s ALA 4 CO 0.21 0.02 -0.08 0.54 0.00 0.00 0.00 175.76 176.44 1ba9 s VAL 5 N -3.02 0.60 -0.17 0.00 0.11 0.50 -0.67 120.40 117.76 1ba9 s VAL 5 Ca 0.24 -1.12 -0.03 0.00 -2.93 0.00 0.00 61.98 58.14 1ba9 s VAL 5 Cb 0.01 -0.67 0.05 0.00 -1.53 0.00 0.00 36.38 34.24 1ba9 s VAL 5 CO 0.07 -0.38 0.04 0.00 -3.33 0.00 0.00 175.10 171.51 1ba9 s ALA 6 N -1.41 0.81 -0.61 1.54 0.00 0.26 -0.63 121.76 121.72 1ba9 s ALA 6 Ca -0.09 -0.51 -0.23 0.00 0.00 0.00 0.00 51.96 51.13 1ba9 s ALA 6 Cb -0.10 -1.07 0.06 0.00 0.00 0.00 0.00 23.12 22.01 1ba9 s ALA 6 CO 0.00 -1.05 0.94 0.14 0.00 0.00 0.00 175.76 175.79 1ba9 s VAL 7 N 1.94 4.37 0.12 0.00 -7.23 -1.25 -0.45 120.40 117.90 1ba9 s VAL 7 Ca 0.01 -0.09 -0.30 0.00 -1.81 0.00 0.00 61.98 59.79 1ba9 s VAL 7 Cb -0.16 -4.61 -0.06 0.00 0.56 0.00 0.00 36.38 32.11 1ba9 s VAL 7 CO -0.08 -1.28 1.10 -0.76 -0.31 0.00 0.00 175.10 173.77 1ba9 s LEU 8 N 3.97 4.45 0.08 1.32 1.02 0.53 -3.99 118.68 126.05 1ba9 s LEU 8 Ca 0.25 1.99 -0.08 0.00 0.02 0.00 0.00 54.13 56.32 1ba9 s LEU 8 Cb -0.15 -3.59 -0.01 0.00 0.02 0.00 0.00 46.19 42.46 1ba9 s LEU 8 CO 0.14 -0.27 0.16 -0.75 0.02 0.00 0.00 176.35 175.65 1ba9 s LYS 9 N 0.19 0.79 0.00 1.70 2.20 0.03 -1.00 119.74 123.64 1ba9 s LYS 9 Ca 0.52 -0.95 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 1ba9 s LYS 9 Cb -0.28 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 1ba9 s LYS 9 CO 0.32 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 1ba9 n GLY 10 N 0.08 5.33 0.20 5.54 0.00 -1.25 -0.53 105.19 114.55 1ba9 n GLY 10 Ca -0.16 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 1ba9 n GLY 10 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ba9 h ASP 11 N 0.00 0.58 -4.82 1.61 2.03 -1.90 -3.45 116.42 110.47 1ba9 h ASP 11 Ca 0.00 -0.15 -0.40 0.00 -0.73 0.00 0.00 57.03 55.75 1ba9 h ASP 11 Cb 0.00 -0.15 0.09 0.00 -0.83 0.00 0.00 39.33 38.45 1ba9 h ASP 11 CO 0.00 0.57 0.17 0.61 -1.03 0.00 0.00 179.24 179.56 1ba9 n GLY 12 N -0.83 0.10 0.27 7.15 0.00 -1.26 -4.97 105.19 105.66 1ba9 n GLY 12 Ca 0.00 -1.94 0.01 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.83 1.26 -1.55 1.61 -0.04 -1.26 -4.82 135.00 127.36 1ba9 n PRO 13 Ca 0.14 -0.32 -0.19 0.00 -0.04 0.00 0.00 63.50 63.10 1ba9 n PRO 13 Cb 0.51 -1.19 -0.08 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.18 -0.02 -3.73 0.52 0.31 -1.24 -4.60 118.33 109.40 1ba9 n VAL 14 Ca 0.03 -0.54 -0.38 0.00 -0.01 0.00 0.00 64.34 63.44 1ba9 n VAL 14 Cb 0.14 -1.90 -0.12 0.00 -0.91 0.00 0.00 33.84 31.05 1ba9 n VAL 14 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1ba9 s GLN 15 N 8.63 3.06 -0.44 5.55 -0.44 0.09 -3.82 119.66 132.28 1ba9 s GLN 15 Ca 0.99 -0.89 0.04 0.00 -2.50 0.00 0.00 55.36 53.00 1ba9 s GLN 15 Cb -0.24 -3.43 0.12 0.00 -1.64 0.00 0.00 33.01 27.81 1ba9 s GLN 15 CO 0.17 -0.48 0.17 0.20 0.50 0.00 0.00 175.29 175.86 1ba9 s GLY 16 N 1.51 2.17 -0.98 2.59 0.00 -0.17 0.46 107.32 112.88 1ba9 s GLY 16 Ca 0.02 -2.91 -0.23 0.00 0.00 0.00 0.00 44.72 41.61 1ba9 s GLY 16 CO 0.03 1.04 1.38 -0.42 0.00 0.00 0.00 173.10 175.13 1ba9 s ILE 17 N 0.26 4.05 0.57 0.90 1.01 -1.13 -0.34 121.20 126.51 1ba9 s ILE 17 Ca 0.15 -0.82 -0.15 0.00 0.00 0.00 0.00 60.65 59.82 1ba9 s ILE 17 Cb -0.23 -5.00 -0.05 0.00 0.01 0.00 0.00 42.46 37.19 1ba9 s ILE 17 CO -0.04 -1.86 1.02 -0.63 0.00 0.00 0.00 174.94 173.44 1ba9 s ILE 18 N 4.63 4.26 -0.00 2.92 -1.09 0.40 -2.96 121.20 129.36 1ba9 s ILE 18 Ca 0.43 1.00 0.01 0.00 -2.23 0.00 0.00 60.65 59.86 1ba9 s ILE 18 Cb -0.02 -3.59 -0.00 0.00 -1.58 0.00 0.00 42.46 37.27 1ba9 s ILE 18 CO -0.08 -0.70 -0.02 0.20 -1.23 0.00 0.00 174.94 173.11 1ba9 s ASN 19 N -3.17 0.28 -0.10 3.58 -0.87 0.11 -0.58 114.94 114.20 1ba9 s ASN 19 Ca 0.60 -0.05 0.02 0.00 -1.57 0.00 0.00 52.86 51.86 1ba9 s ASN 19 Cb -0.12 -0.03 0.01 0.00 -0.02 0.00 0.00 41.25 41.09 1ba9 s ASN 19 CO 0.38 0.03 -0.14 -0.36 -2.57 0.00 0.00 177.10 174.43 1ba9 s PHE 20 N -0.07 1.82 -0.01 2.20 0.40 0.16 -0.83 117.98 121.65 1ba9 s PHE 20 Ca 0.01 -0.80 0.06 0.00 -0.60 0.00 0.00 56.93 55.59 1ba9 s PHE 20 Cb -0.01 -1.32 -0.01 0.00 0.51 0.00 0.00 43.02 42.18 1ba9 s PHE 20 CO -0.00 -0.42 -0.18 -1.83 0.70 0.00 0.00 175.22 173.49 1ba9 s GLU 21 N 0.91 1.44 0.15 0.44 4.04 0.33 0.21 118.70 126.22 1ba9 s GLU 21 Ca -0.09 -0.65 0.00 0.00 0.04 0.00 0.00 54.97 54.27 1ba9 s GLU 21 Cb -0.15 -1.40 0.00 0.00 0.02 0.00 0.00 34.13 32.60 1ba9 s GLU 21 CO 0.00 0.38 0.00 0.94 -1.84 0.00 0.00 175.26 174.74 1ba9 n GLN 22 N 2.61 0.00 0.00 -4.83 7.27 -1.12 -0.52 117.38 120.79 1ba9 n GLN 22 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.92 1ba9 n GLN 22 Cb 0.54 -0.08 0.00 0.00 2.41 0.00 0.00 30.24 33.11 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1ba9 n LYS 23 N -3.11 0.00 -1.11 3.69 4.81 -1.23 -4.70 118.16 116.50 1ba9 n LYS 23 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 1ba9 n LYS 23 Cb 0.00 -0.21 0.12 0.00 0.02 0.00 0.00 35.03 34.96 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 1.69 0.21 1.64 2.02 -1.26 0.43 118.70 123.42 1ba9 s GLU 24 Ca 0.00 1.61 0.10 0.00 0.02 0.00 0.00 54.97 56.70 1ba9 s GLU 24 Cb 0.00 -1.80 0.05 0.00 0.10 0.00 0.00 34.13 32.49 1ba9 s GLU 24 CO 0.00 -2.14 1.43 1.03 0.02 0.00 0.00 175.26 175.59 1ba9 h SER 25 N -1.04 0.00 -0.11 -0.19 0.87 -1.95 0.55 113.55 111.67 1ba9 h SER 25 Ca -0.45 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 59.93 1ba9 h SER 25 Cb 1.28 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.99 1ba9 h SER 25 CO 0.46 0.77 -0.60 -0.46 -0.53 0.00 0.00 176.83 176.47 1ba9 n ASN 26 N -3.45 -0.24 -5.01 6.23 6.94 -1.26 -4.81 115.26 113.66 1ba9 n ASN 26 Ca 0.00 -2.09 -0.18 0.00 -0.02 0.00 0.00 54.58 52.29 1ba9 n ASN 26 Cb 0.79 0.17 0.02 0.00 -2.36 0.00 0.00 39.78 38.40 1ba9 n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ba9 s GLY 27 N -1.93 1.90 0.29 4.83 0.00 -1.26 -5.06 107.32 106.08 1ba9 s GLY 27 Ca 0.15 -1.82 -0.30 0.00 0.00 0.00 0.00 44.72 42.76 1ba9 s GLY 27 CO -0.09 -1.56 1.53 2.56 0.00 0.00 0.00 173.10 175.54 1ba9 s PRO 28 N -4.43 4.17 -0.01 2.90 0.04 -1.26 -4.90 135.00 131.50 1ba9 s PRO 28 Ca 0.56 2.48 -0.30 0.00 0.04 0.00 0.00 61.00 63.78 1ba9 s PRO 28 Cb -0.08 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 1ba9 s PRO 28 CO 0.34 -0.55 1.19 0.08 0.04 0.00 0.00 177.00 178.10 1ba9 s VAL 29 N -0.11 4.23 -0.20 -0.36 1.01 0.64 -4.71 120.40 120.90 1ba9 s VAL 29 Ca 0.61 1.57 -0.15 0.00 0.00 0.00 0.00 61.98 64.01 1ba9 s VAL 29 Cb -0.46 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1ba9 s VAL 29 CO 0.48 0.05 0.37 -0.75 0.00 0.00 0.00 175.10 175.25 1ba9 s LYS 30 N 1.77 4.18 0.00 2.72 2.20 0.32 -0.70 119.74 130.22 1ba9 s LYS 30 Ca 0.57 0.16 0.07 0.00 -0.36 0.00 0.00 55.97 56.41 1ba9 s LYS 30 Cb -0.26 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 1ba9 s LYS 30 CO 0.25 -0.00 -0.21 0.54 -0.36 0.00 0.00 175.35 175.56 1ba9 s VAL 31 N 1.19 2.49 0.19 4.02 0.11 0.25 -0.51 120.40 128.14 1ba9 s VAL 31 Ca 0.18 -1.09 -0.23 0.00 -2.93 0.00 0.00 61.98 57.91 1ba9 s VAL 31 Cb -0.14 -1.96 0.05 0.00 -1.53 0.00 0.00 36.38 32.80 1ba9 s VAL 31 CO 0.07 0.48 0.71 -1.66 -3.33 0.00 0.00 175.10 171.37 1ba9 s TRP 32 N -0.76 -0.35 -0.01 1.54 -2.14 -0.01 -0.49 118.94 116.73 1ba9 s TRP 32 Ca 0.12 0.04 -0.13 0.00 2.66 0.00 0.00 56.10 58.79 1ba9 s TRP 32 Cb -0.10 0.62 0.04 0.00 -3.10 0.00 0.00 33.47 30.93 1ba9 s TRP 32 CO 0.01 -0.97 0.58 0.41 -2.66 0.00 0.00 176.95 174.32 1ba9 n GLY 33 N -0.41 0.43 3.07 3.67 0.00 0.10 0.10 105.19 112.15 1ba9 n GLY 33 Ca -0.10 -0.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 1ba9 n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ba9 s SER 34 N -2.28 -0.90 0.66 1.61 0.01 -1.16 -0.55 113.70 111.10 1ba9 s SER 34 Ca 0.14 0.12 -0.13 0.00 1.31 0.00 0.00 55.95 57.38 1ba9 s SER 34 Cb -0.00 1.73 -0.00 0.00 0.21 0.00 0.00 66.02 67.95 1ba9 s SER 34 CO -0.00 -0.31 1.07 -0.63 0.41 0.00 0.00 173.24 173.78 1ba9 s ILE 35 N 2.73 3.70 -0.31 1.44 1.01 -0.25 -2.85 121.20 126.67 1ba9 s ILE 35 Ca 0.12 0.69 -0.02 0.00 0.00 0.00 0.00 60.65 61.43 1ba9 s ILE 35 Cb -0.12 -3.27 0.12 0.00 0.01 0.00 0.00 42.46 39.20 1ba9 s ILE 35 CO -0.26 -0.59 0.17 -0.75 0.00 0.00 0.00 174.94 173.51 1ba9 s LYS 36 N -4.49 0.32 0.00 2.79 2.20 0.17 -3.80 119.74 116.94 1ba9 s LYS 36 Ca 0.62 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 1ba9 s LYS 36 Cb -0.16 -1.16 0.00 0.00 -1.51 0.00 0.00 37.83 35.00 1ba9 s LYS 36 CO 0.46 -1.08 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 1ba9 n GLY 37 N 4.85 -0.55 0.00 5.54 0.00 -0.05 -0.73 105.19 114.25 1ba9 n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.10 0.99 4.32 0.34 -4.70 117.00 113.85 1ba9 n LEU 38 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.89 1ba9 n LEU 38 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 1ba9 n LEU 38 CO 0.00 -0.96 -0.38 0.28 -1.22 0.00 0.00 177.39 175.11 1ba9 s THR 39 N -0.78 0.43 0.24 -5.08 -1.32 -1.26 -4.23 115.64 103.65 1ba9 s THR 39 Ca 0.00 -1.57 -0.30 0.00 -1.21 0.00 0.00 61.69 58.61 1ba9 s THR 39 Cb 0.00 -1.21 -0.15 0.00 -1.51 0.00 0.00 72.50 69.64 1ba9 s THR 39 CO 0.00 -0.76 1.02 -1.84 -2.21 0.00 0.00 174.62 170.83 1ba9 n GLU 40 N 0.55 1.18 0.00 7.08 0.28 -1.08 -4.54 120.64 124.12 1ba9 n GLU 40 Ca -0.17 0.42 0.00 0.00 -0.16 0.00 0.00 57.16 57.25 1ba9 n GLU 40 Cb 0.59 -1.80 0.00 0.00 1.43 0.00 0.00 31.44 31.66 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 1.55 0.10 3.02 -1.84 0.00 -1.04 -4.93 105.19 102.05 1ba9 n GLY 41 Ca 0.12 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 1ba9 n GLY 41 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ba9 s LEU 42 N 0.00 2.30 -0.08 0.99 2.34 -1.26 -0.35 118.68 122.63 1ba9 s LEU 42 Ca 0.00 -0.63 -0.04 0.00 0.06 0.00 0.00 54.13 53.52 1ba9 s LEU 42 Cb 0.00 0.09 0.04 0.00 -0.56 0.00 0.00 46.19 45.76 1ba9 s LEU 42 CO 0.00 -0.36 0.18 -1.00 -1.06 0.00 0.00 176.35 174.11 1ba9 s HIS 43 N -2.05 -0.22 0.61 3.48 3.76 0.32 -3.39 115.29 117.80 1ba9 s HIS 43 Ca -0.09 0.59 -0.19 0.00 -0.15 0.00 0.00 55.06 55.22 1ba9 s HIS 43 Cb -0.06 -0.04 -0.03 0.00 1.11 0.00 0.00 32.58 33.56 1ba9 s HIS 43 CO -0.03 -0.19 1.25 0.20 -0.85 0.00 0.00 174.74 175.12 1ba9 s GLY 44 N 1.24 2.80 -0.17 -2.22 0.00 0.00 -0.66 107.32 108.32 1ba9 s GLY 44 Ca -0.09 1.11 -0.04 0.00 0.00 0.00 0.00 44.72 45.70 1ba9 s GLY 44 CO -0.07 1.52 0.28 -0.12 0.00 0.00 0.00 173.10 174.71 1ba9 s PHE 45 N -1.49 -0.46 0.07 1.90 2.19 1.00 -0.59 117.98 120.60 1ba9 s PHE 45 Ca 0.79 0.78 -0.12 0.00 0.33 0.00 0.00 56.93 58.71 1ba9 s PHE 45 Cb -0.34 -0.10 0.01 0.00 -1.31 0.00 0.00 43.02 41.29 1ba9 s PHE 45 CO 0.36 -0.48 0.27 -1.01 1.83 0.00 0.00 175.22 176.20 1ba9 s HIS 46 N 2.42 -0.02 -0.64 10.12 3.76 -0.67 -2.22 115.29 128.04 1ba9 s HIS 46 Ca 0.04 -0.26 -0.23 0.00 -0.15 0.00 0.00 55.06 54.46 1ba9 s HIS 46 Cb -0.14 0.06 0.06 0.00 1.11 0.00 0.00 32.58 33.68 1ba9 s HIS 46 CO -0.11 -0.55 0.99 0.08 -0.85 0.00 0.00 174.74 174.30 1ba9 s VAL 47 N -3.25 4.28 0.58 -0.90 1.01 0.12 -0.97 120.40 121.26 1ba9 s VAL 47 Ca -0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 1ba9 s VAL 47 Cb 0.02 -4.67 -0.05 0.00 0.00 0.00 0.00 36.38 31.67 1ba9 s VAL 47 CO -0.08 -1.42 1.03 -1.00 0.00 0.00 0.00 175.10 173.63 1ba9 s HIS 48 N 4.21 3.21 0.00 5.22 3.76 0.16 -0.33 115.29 131.52 1ba9 s HIS 48 Ca 0.25 1.47 0.00 0.00 -0.15 0.00 0.00 55.06 56.64 1ba9 s HIS 48 Cb -0.15 -2.90 0.00 0.00 1.11 0.00 0.00 32.58 30.64 1ba9 s HIS 48 CO 0.13 -0.82 0.00 0.39 -0.85 0.00 0.00 174.74 173.58 1ba9 n GLU 49 N -2.01 -0.46 0.00 1.40 1.02 -0.99 -1.95 120.64 117.65 1ba9 n GLU 49 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1ba9 n GLU 49 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 1ba9 n GLU 49 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ba9 n GLU 50 N -1.08 0.00 0.00 3.49 -0.58 -1.26 -3.96 120.64 117.25 1ba9 n GLU 50 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ba9 n GLU 50 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 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 -0.61 0.00 -2.13 3.49 0.00 -1.26 -3.45 120.64 116.69 1ba9 n GLU 51 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.80 1ba9 n GLU 51 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.41 1ba9 n GLU 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1ba9 s ASP 52 N 1.75 5.41 0.00 4.31 2.15 -1.26 -4.22 116.67 124.81 1ba9 s ASP 52 Ca 0.00 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 52.93 1ba9 s ASP 52 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1ba9 s ASP 52 CO 0.00 -2.35 0.00 -3.20 -0.17 0.00 0.00 175.17 169.45 1ba9 n ASN 53 N 12.42 0.00 -1.94 -0.34 5.15 -1.26 -4.99 115.26 124.30 1ba9 n ASN 53 Ca 0.23 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 54.12 1ba9 n ASN 53 Cb 0.51 0.22 -0.13 0.00 -0.53 0.00 0.00 39.78 39.85 1ba9 n ASN 53 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1ba9 n THR 54 N -2.00 2.57 -0.34 -0.44 5.66 -1.26 -4.65 114.28 113.82 1ba9 n THR 54 Ca 0.00 -1.20 0.16 0.00 -3.05 0.00 0.00 64.05 59.96 1ba9 n THR 54 Cb 0.00 -1.86 0.37 0.00 -1.55 0.00 0.00 70.33 67.29 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 2.85 1.78 -0.80 1.79 0.00 -1.94 0.14 119.26 123.09 1ba9 h ALA 55 Ca 0.14 0.09 -0.57 0.00 0.00 0.00 0.00 54.91 54.57 1ba9 h ALA 55 Cb 1.30 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 18.64 1ba9 h ALA 55 CO 0.20 -0.19 -0.55 0.41 0.00 0.00 0.00 179.25 179.13 1ba9 n GLY 56 N -1.34 6.32 2.51 0.00 0.00 -1.26 -4.93 105.19 106.49 1ba9 n GLY 56 Ca 0.25 -2.61 -0.19 0.00 0.00 0.00 0.00 46.02 43.46 1ba9 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba9 h THR 58 N -0.19 0.10 0.00 0.00 2.02 -1.89 -3.47 112.91 109.48 1ba9 h THR 58 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1ba9 h THR 58 Cb 1.32 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1ba9 h THR 58 CO 0.51 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 175.20 1ba9 n SER 59 N -5.43 0.00 0.00 4.18 7.64 -1.26 -5.08 113.62 113.67 1ba9 n SER 59 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1ba9 n SER 59 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.00 -2.91 -0.43 0.00 -1.26 -4.63 120.51 111.27 1ba9 n ALA 60 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1ba9 n ALA 60 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ba9 n ALA 60 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ba9 s GLY 61 N 0.00 0.35 0.07 0.00 0.00 -1.26 -4.91 107.32 101.57 1ba9 s GLY 61 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 44.72 43.98 1ba9 s GLY 61 CO 0.00 -0.67 0.08 -1.55 0.00 0.00 0.00 173.10 170.95 1ba9 n PRO 62 N -0.27 -0.77 -1.74 2.90 -0.04 -1.26 -4.29 135.00 129.53 1ba9 n PRO 62 Ca -0.07 -0.12 -0.42 0.00 -0.04 0.00 0.00 63.50 62.85 1ba9 n PRO 62 Cb 0.63 -0.10 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 1ba9 n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ba9 n HIS 63 N -2.47 2.74 -1.58 0.54 8.25 -1.26 -2.35 115.22 119.10 1ba9 n HIS 63 Ca 0.01 0.40 -0.37 0.00 -0.26 0.00 0.00 57.72 57.50 1ba9 n HIS 63 Cb 0.04 -2.53 -0.03 0.00 1.12 0.00 0.00 29.99 28.59 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 -0.65 1.10 -0.60 4.41 5.36 0.55 -4.81 117.98 123.34 1ba9 s PHE 64 Ca 0.58 1.43 0.05 0.00 -0.96 0.00 0.00 56.93 58.04 1ba9 s PHE 64 Cb -0.52 -3.63 0.20 0.00 -0.34 0.00 0.00 43.02 38.73 1ba9 s PHE 64 CO 0.57 -2.71 0.54 -1.71 -1.46 0.00 0.00 175.22 170.46 1ba9 n ASN 65 N 15.35 2.32 0.01 6.13 4.05 -1.26 -1.06 115.26 140.80 1ba9 n ASN 65 Ca 0.35 -3.08 -0.19 0.00 0.45 0.00 0.00 54.58 52.12 1ba9 n ASN 65 Cb 0.54 -0.69 -0.10 0.00 1.23 0.00 0.00 39.78 40.76 1ba9 n ASN 65 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1ba9 h PRO 66 N 4.94 0.62 0.00 1.20 0.13 -1.95 -3.41 132.00 133.53 1ba9 h PRO 66 Ca 0.18 -0.62 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 1ba9 h PRO 66 Cb 0.77 0.16 -0.09 0.00 0.13 0.00 0.00 31.00 31.97 1ba9 h PRO 66 CO 0.66 1.22 -0.20 1.28 -0.23 0.00 0.00 178.00 180.74 1ba9 n LEU 67 N -4.01 -0.70 0.00 1.56 4.77 -1.26 -5.09 117.00 112.26 1ba9 n LEU 67 Ca -0.10 -1.44 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 1ba9 n LEU 67 Cb 0.77 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1ba9 n LEU 67 CO 0.52 1.20 0.00 -0.24 -1.33 0.00 0.00 177.39 177.54 1ba9 n SER 68 N -0.07 0.00 -1.87 -1.43 2.88 -1.26 -5.09 113.62 106.78 1ba9 n SER 68 Ca -0.19 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.28 1ba9 n SER 68 Cb 0.57 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.01 1ba9 n SER 68 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ba9 n ARG 69 N 0.00 0.25 -1.16 -1.46 1.74 -1.26 -5.08 116.66 109.70 1ba9 n ARG 69 Ca 0.00 -1.25 -0.30 0.00 -0.77 0.00 0.00 57.85 55.53 1ba9 n ARG 69 Cb 0.00 1.13 0.23 0.00 -1.02 0.00 0.00 32.46 32.81 1ba9 n ARG 69 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ba9 s LYS 70 N -2.41 -1.03 0.54 5.56 1.02 -1.26 -4.36 119.74 117.80 1ba9 s LYS 70 Ca 0.14 -0.08 -0.22 0.00 0.02 0.00 0.00 55.97 55.83 1ba9 s LYS 70 Cb 0.00 -1.62 -0.05 0.00 -0.52 0.00 0.00 37.83 35.64 1ba9 s LYS 70 CO 0.10 -3.58 1.38 -1.58 -0.92 0.00 0.00 175.35 170.74 1ba9 s HIS 71 N -3.08 2.26 0.00 3.18 5.65 0.39 -2.36 115.29 121.34 1ba9 s HIS 71 Ca 0.71 1.35 0.00 0.00 0.25 0.00 0.00 55.06 57.37 1ba9 s HIS 71 Cb -0.09 -3.84 0.00 0.00 -1.18 0.00 0.00 32.58 27.47 1ba9 s HIS 71 CO 0.56 -2.99 0.00 0.41 -0.65 0.00 0.00 174.74 172.07 1ba9 n GLY 72 N 0.72 1.96 3.25 1.59 0.00 -1.25 -3.86 105.19 107.61 1ba9 n GLY 72 Ca 0.10 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.33 1.79 0.62 -0.02 0.00 -1.10 -4.54 107.32 103.74 1ba9 s GLY 73 Ca 0.00 -1.81 0.34 0.00 0.00 0.00 0.00 44.72 43.25 1ba9 s GLY 73 CO 0.00 -1.47 2.25 -0.56 0.00 0.00 0.00 173.10 173.33 1ba9 h PRO 74 N 2.41 0.00 0.00 2.90 0.13 -1.86 0.21 132.00 135.80 1ba9 h PRO 74 Ca -0.33 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.76 1ba9 h PRO 74 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1ba9 h PRO 74 CO 0.49 0.00 -0.18 1.57 -0.23 0.00 0.00 178.00 179.65 1ba9 h LYS 75 N 0.00 0.00 -6.24 0.86 2.10 -1.96 -3.46 116.57 107.87 1ba9 h LYS 75 Ca 0.01 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.19 1ba9 h LYS 75 Cb 0.12 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.43 1ba9 h LYS 75 CO -0.00 0.18 -0.38 -0.51 -2.00 0.00 0.00 179.45 176.74 1ba9 s ASP 76 N -6.12 5.32 0.08 7.07 1.01 0.06 -5.04 116.67 119.06 1ba9 s ASP 76 Ca 0.02 -0.55 -0.15 0.00 0.71 0.00 0.00 52.55 52.57 1ba9 s ASP 76 Cb 0.09 -0.79 -0.13 0.00 1.01 0.00 0.00 42.92 43.10 1ba9 s ASP 76 CO 0.63 -0.54 1.34 -0.33 0.21 0.00 0.00 175.17 176.48 1ba9 h GLU 77 N 1.03 0.66 -6.91 8.23 5.08 -1.89 -3.44 114.58 117.34 1ba9 h GLU 77 Ca -0.43 -0.43 -0.48 0.00 -1.00 0.00 0.00 59.36 57.02 1ba9 h GLU 77 Cb 1.26 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.58 1ba9 h GLU 77 CO 0.55 1.05 0.41 -1.21 -1.00 0.00 0.00 179.01 178.81 1ba9 s GLU 78 N -4.05 4.37 0.00 2.33 2.02 -1.26 -5.01 118.70 117.11 1ba9 s GLU 78 Ca -0.12 1.54 0.00 0.00 0.02 0.00 0.00 54.97 56.41 1ba9 s GLU 78 Cb 0.08 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.55 1ba9 s GLU 78 CO 0.84 0.04 0.00 2.89 0.02 0.00 0.00 175.26 179.05 1ba9 n ARG 79 N 0.38 0.00 -0.88 1.61 1.85 -0.99 -2.73 116.66 115.90 1ba9 n ARG 79 Ca 0.03 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.59 1ba9 n ARG 79 Cb 0.49 0.00 0.23 0.00 -1.05 0.00 0.00 32.46 32.13 1ba9 n ARG 79 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1ba9 s HIS 80 N -0.20 0.91 0.25 2.89 3.76 -1.23 -4.04 115.29 117.64 1ba9 s HIS 80 Ca 0.00 0.77 -0.06 0.00 -0.15 0.00 0.00 55.06 55.62 1ba9 s HIS 80 Cb 0.00 -3.23 0.27 0.00 1.11 0.00 0.00 32.58 30.73 1ba9 s HIS 80 CO 0.00 -3.83 1.93 0.28 -0.85 0.00 0.00 174.74 172.27 1ba9 h VAL 81 N -2.57 1.26 -2.20 -0.90 2.07 -1.45 -3.19 116.25 109.28 1ba9 h VAL 81 Ca -0.51 -0.48 -0.60 0.00 0.82 0.00 0.00 66.70 65.94 1ba9 h VAL 81 Cb 1.32 -0.19 -0.42 0.00 -1.52 0.00 0.00 31.29 30.48 1ba9 h VAL 81 CO 0.43 0.25 -0.63 0.61 0.02 0.00 0.00 177.57 178.26 1ba9 n GLY 82 N -1.36 4.86 2.80 2.17 0.00 -1.25 -4.59 105.19 107.82 1ba9 n GLY 82 Ca 0.12 -2.72 -0.28 0.00 0.00 0.00 0.00 46.02 43.14 1ba9 n GLY 82 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ba9 n ASP 83 N 0.68 3.17 -1.87 1.61 2.03 -1.21 -0.71 116.55 120.25 1ba9 n ASP 83 Ca 0.30 -3.26 -0.15 0.00 0.52 0.00 0.00 54.79 52.20 1ba9 n ASP 83 Cb 0.41 -0.74 0.02 0.00 -0.72 0.00 0.00 41.12 40.10 1ba9 n ASP 83 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ba9 n LEU 84 N 1.72 6.30 0.00 -2.67 7.99 -0.94 -4.18 117.00 125.22 1ba9 n LEU 84 Ca 0.22 -3.22 0.00 0.00 -0.01 0.00 0.00 56.01 53.00 1ba9 n LEU 84 Cb 0.36 -1.08 0.00 0.00 -0.11 0.00 0.00 43.42 42.59 1ba9 n LEU 84 CO 0.30 1.23 0.00 0.61 -1.51 0.00 0.00 177.39 178.02 1ba9 n GLY 85 N 0.57 1.33 3.58 -0.72 0.00 -1.26 -4.67 105.19 104.03 1ba9 n GLY 85 Ca 0.27 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.26 3.91 0.40 1.61 2.20 -1.26 -0.00 114.94 119.53 1ba9 s ASN 86 Ca 0.00 -1.10 0.08 0.00 -0.94 0.00 0.00 52.86 50.89 1ba9 s ASN 86 Cb 0.00 -0.42 -0.06 0.00 -2.00 0.00 0.00 41.25 38.77 1ba9 s ASN 86 CO 0.00 -0.20 0.11 0.68 -2.94 0.00 0.00 177.10 174.75 1ba9 s VAL 87 N -2.57 2.31 -0.19 3.54 -7.23 0.16 -4.89 120.40 111.53 1ba9 s VAL 87 Ca 0.33 -1.82 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1ba9 s VAL 87 Cb 0.01 -2.96 -0.00 0.00 0.56 0.00 0.00 36.38 33.99 1ba9 s VAL 87 CO 0.18 -0.04 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.93 1ba9 s THR 88 N -2.61 2.95 0.19 5.32 2.01 -1.26 -0.53 115.64 121.71 1ba9 s THR 88 Ca 0.38 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 1ba9 s THR 88 Cb 0.04 -2.30 -0.07 0.00 0.01 0.00 0.00 72.50 70.18 1ba9 s THR 88 CO 0.21 0.47 0.53 0.00 -0.69 0.00 0.00 174.62 175.14 1ba9 s ALA 89 N 1.24 3.59 1.00 7.40 0.00 0.53 -4.24 121.76 131.28 1ba9 s ALA 89 Ca 0.03 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.58 1ba9 s ALA 89 Cb -0.14 -2.45 0.23 0.00 0.00 0.00 0.00 23.12 20.75 1ba9 s ALA 89 CO -0.04 0.50 1.33 0.16 0.00 0.00 0.00 175.76 177.70 1ba9 s ASP 90 N -2.08 2.73 0.35 0.00 1.47 0.28 -2.51 116.67 116.93 1ba9 s ASP 90 Ca 0.43 0.21 0.26 0.00 1.18 0.00 0.00 52.55 54.63 1ba9 s ASP 90 Cb -0.13 -0.20 1.22 0.00 -0.34 0.00 0.00 42.92 43.47 1ba9 s ASP 90 CO 0.20 -2.97 1.79 0.07 0.68 0.00 0.00 175.17 174.95 1ba9 h LYS 91 N -1.81 0.00 0.00 2.11 2.10 -1.94 -0.92 116.57 116.11 1ba9 h LYS 91 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1ba9 h LYS 91 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1ba9 h LYS 91 CO 0.33 0.00 -0.39 -3.47 -2.00 0.00 0.00 179.45 173.93 1ba9 n ASP 92 N -2.43 0.62 -0.00 7.07 2.03 -1.26 -4.80 116.55 117.77 1ba9 n ASP 92 Ca 0.00 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1ba9 n ASP 92 Cb 0.17 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 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 1.37 0.78 3.25 0.27 0.00 -0.37 -4.73 105.19 105.77 1ba9 n GLY 93 Ca 0.05 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 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 3.02 -0.38 1.61 1.01 -1.26 -0.50 120.40 121.89 1ba9 s VAL 94 Ca 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1ba9 s VAL 94 Cb 0.00 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 34.01 1ba9 s VAL 94 CO 0.00 0.41 0.26 0.00 0.00 0.00 0.00 175.10 175.77 1ba9 s ALA 95 N 1.42 3.43 -0.09 5.51 0.00 -1.25 -0.55 121.76 130.23 1ba9 s ALA 95 Ca 0.05 -1.63 -0.30 0.00 0.00 0.00 0.00 51.96 50.08 1ba9 s ALA 95 Cb -0.14 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 1ba9 s ALA 95 CO -0.06 -1.31 1.10 0.16 0.00 0.00 0.00 175.76 175.65 1ba9 s ASP 96 N 1.66 7.15 -0.01 0.00 -4.77 -1.26 -1.09 116.67 118.35 1ba9 s ASP 96 Ca 0.05 1.66 -0.02 0.00 -3.30 0.00 0.00 52.55 50.93 1ba9 s ASP 96 Cb -0.19 -2.56 -0.04 0.00 -1.09 0.00 0.00 42.92 39.05 1ba9 s ASP 96 CO 0.09 -0.52 0.17 -0.69 0.70 0.00 0.00 175.17 174.93 1ba9 s VAL 97 N 2.13 5.34 -0.29 2.11 1.01 0.29 -4.76 120.40 126.23 1ba9 s VAL 97 Ca 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1ba9 s VAL 97 Cb -0.21 -3.49 0.20 0.00 0.00 0.00 0.00 36.38 32.87 1ba9 s VAL 97 CO 0.19 0.32 0.74 -0.44 0.00 0.00 0.00 175.10 175.92 1ba9 s SER 98 N -1.93 -1.23 0.27 3.32 0.01 -1.26 -0.72 113.70 112.16 1ba9 s SER 98 Ca 0.27 0.15 -0.05 0.00 1.31 0.00 0.00 55.95 57.62 1ba9 s SER 98 Cb -0.13 1.78 -0.01 0.00 0.21 0.00 0.00 66.02 67.87 1ba9 s SER 98 CO 0.18 -0.23 0.36 -0.51 0.41 0.00 0.00 173.24 173.46 1ba9 s ILE 99 N 2.87 0.00 -0.04 1.44 2.07 0.36 -4.99 121.20 122.92 1ba9 s ILE 99 Ca 0.16 -1.67 -0.01 0.00 -1.41 0.00 0.00 60.65 57.71 1ba9 s ILE 99 Cb -0.07 -2.43 0.03 0.00 0.13 0.00 0.00 42.46 40.12 1ba9 s ILE 99 CO -0.25 0.00 0.07 -1.61 -1.91 0.00 0.00 174.94 171.24 1ba9 s GLU 100 N -3.75 -0.03 0.08 3.50 2.02 -1.26 -0.59 118.70 118.68 1ba9 s GLU 100 Ca 0.31 0.30 0.06 0.00 0.02 0.00 0.00 54.97 55.66 1ba9 s GLU 100 Cb 0.02 -0.32 -0.03 0.00 0.10 0.00 0.00 34.13 33.90 1ba9 s GLU 100 CO 0.14 -0.23 -0.16 -0.51 0.02 0.00 0.00 175.26 174.53 1ba9 s ASP 101 N 1.51 1.91 -0.09 -0.19 1.01 0.12 -4.96 116.67 115.97 1ba9 s ASP 101 Ca -0.04 -0.64 0.18 0.00 0.71 0.00 0.00 52.55 52.76 1ba9 s ASP 101 Cb -0.12 -0.07 -0.24 0.00 1.01 0.00 0.00 42.92 43.49 1ba9 s ASP 101 CO -0.04 -0.04 0.39 -1.54 0.21 0.00 0.00 175.17 174.14 1ba9 n SER 102 N 1.20 0.30 -0.03 0.27 3.41 -1.26 -0.26 113.62 117.25 1ba9 n SER 102 Ca -0.21 0.13 -0.15 0.00 -0.26 0.00 0.00 58.87 58.39 1ba9 n SER 102 Cb 0.54 0.87 -0.09 0.00 -0.26 0.00 0.00 64.21 65.27 1ba9 n SER 102 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1ba9 h VAL 103 N 0.00 1.39 -4.02 -3.33 3.04 -1.96 -3.43 116.25 107.94 1ba9 h VAL 103 Ca -0.33 -1.76 -0.47 0.00 -1.01 0.00 0.00 66.70 63.13 1ba9 h VAL 103 Cb 1.84 2.23 0.01 0.00 -2.01 0.00 0.00 31.29 33.36 1ba9 h VAL 103 CO 0.03 0.52 0.39 0.27 -1.01 0.00 0.00 177.57 177.77 1ba9 s ILE 104 N -3.70 3.87 0.35 3.17 -4.36 -1.26 -4.89 121.20 114.37 1ba9 s ILE 104 Ca -0.13 1.29 -0.16 0.00 -0.26 0.00 0.00 60.65 61.38 1ba9 s ILE 104 Cb 0.05 -3.59 0.04 0.00 1.25 0.00 0.00 42.46 40.21 1ba9 s ILE 104 CO 0.80 -0.13 0.74 -0.44 0.24 0.00 0.00 174.94 176.14 1ba9 s SER 105 N -1.83 -0.02 -0.36 4.36 0.01 -1.24 -4.47 113.70 110.15 1ba9 s SER 105 Ca 0.62 -1.00 0.01 0.00 1.31 0.00 0.00 55.95 56.90 1ba9 s SER 105 Cb -0.18 0.79 0.42 0.00 0.21 0.00 0.00 66.02 67.27 1ba9 s SER 105 CO 0.22 -1.54 1.76 0.18 0.41 0.00 0.00 173.24 174.27 1ba9 n LEU 106 N -0.51 6.06 0.00 2.44 4.32 -1.26 -0.68 117.00 127.37 1ba9 n LEU 106 Ca -0.06 -3.21 0.00 0.00 -0.02 0.00 0.00 56.01 52.72 1ba9 n LEU 106 Cb 0.60 -0.83 0.00 0.00 -1.62 0.00 0.00 43.42 41.57 1ba9 n LEU 106 CO 0.23 1.03 0.00 -1.20 -1.22 0.00 0.00 177.39 176.23 1ba9 n SER 107 N -0.50 0.00 0.00 -1.43 7.64 -1.26 -4.70 113.62 113.36 1ba9 n SER 107 Ca 0.43 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1ba9 n SER 107 Cb 1.10 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 1ba9 n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ba9 n GLY 108 N 4.36 0.29 0.25 0.23 0.00 -1.26 -4.43 105.19 104.63 1ba9 n GLY 108 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1ba9 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ba9 h ASP 109 N 0.00 -0.68 1.79 1.61 5.19 -1.98 -1.95 116.42 120.40 1ba9 h ASP 109 Ca 0.00 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1ba9 h ASP 109 Cb 0.00 0.38 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1ba9 h ASP 109 CO 0.00 -0.23 -0.03 0.45 -3.12 0.00 0.00 179.24 176.31 1ba9 h HIS 110 N -0.10 0.00 0.00 4.55 3.86 -1.90 -3.46 115.15 118.10 1ba9 h HIS 110 Ca 0.22 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 59.04 1ba9 h HIS 110 Cb 0.44 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.85 1ba9 h HIS 110 CO -0.46 0.00 1.16 0.45 0.86 0.00 0.00 177.93 179.94 1ba9 n SER 111 N -2.80 0.26 0.27 2.45 2.88 -0.74 -3.64 113.62 112.31 1ba9 n SER 111 Ca 0.04 0.19 0.16 0.00 -1.33 0.00 0.00 58.87 57.94 1ba9 n SER 111 Cb 0.50 -0.64 0.65 0.00 -0.75 0.00 0.00 64.21 63.97 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 5.43 0.11 -2.49 2.46 3.07 -1.22 -3.43 117.51 121.43 1ba9 h ILE 112 Ca -0.04 -0.61 -0.53 0.00 1.55 0.00 0.00 64.86 65.23 1ba9 h ILE 112 Cb 0.93 1.55 0.03 0.00 -0.27 0.00 0.00 36.82 39.05 1ba9 h ILE 112 CO 0.93 0.04 1.15 -0.63 -1.05 0.00 0.00 178.15 178.58 1ba9 s ILE 113 N -3.68 2.82 -0.37 0.16 -1.09 -1.26 -1.33 121.20 116.44 1ba9 s ILE 113 Ca 0.01 0.11 -0.02 0.00 -2.23 0.00 0.00 60.65 58.52 1ba9 s ILE 113 Cb 0.09 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1ba9 s ILE 113 CO 0.56 -0.00 0.32 0.61 -1.23 0.00 0.00 174.94 175.19 1ba9 n GLY 114 N 4.33 0.46 3.78 6.18 0.00 0.18 -5.02 105.19 115.10 1ba9 n GLY 114 Ca 0.18 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 -5.12 2.40 -0.47 1.61 1.81 -0.44 -4.55 118.95 114.19 1ba9 s ARG 115 Ca 0.12 -1.62 -0.10 0.00 -1.72 0.00 0.00 55.73 52.41 1ba9 s ARG 115 Cb -0.05 -2.19 0.11 0.00 -0.45 0.00 0.00 34.95 32.36 1ba9 s ARG 115 CO 0.20 -0.05 0.34 0.99 -0.68 0.00 0.00 175.30 176.11 1ba9 s THR 116 N -2.48 4.37 -0.15 0.02 2.01 -0.82 -0.74 115.64 117.85 1ba9 s THR 116 Ca 0.42 -1.62 -0.21 0.00 0.31 0.00 0.00 61.69 60.59 1ba9 s THR 116 Cb -0.01 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1ba9 s THR 116 CO 0.24 -0.71 0.62 -0.22 -0.69 0.00 0.00 174.62 173.87 1ba9 s LEU 117 N 1.42 4.22 0.00 4.42 0.20 0.11 0.38 118.68 129.42 1ba9 s LEU 117 Ca 0.05 0.93 0.01 0.00 0.69 0.00 0.00 54.13 55.81 1ba9 s LEU 117 Cb -0.26 -2.91 -0.01 0.00 -0.43 0.00 0.00 46.19 42.59 1ba9 s LEU 117 CO 0.01 -0.18 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.15 1ba9 s VAL 118 N 1.35 0.38 0.20 1.68 1.01 -0.14 -0.24 120.40 124.65 1ba9 s VAL 118 Ca 0.31 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.99 1ba9 s VAL 118 Cb -0.16 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1ba9 s VAL 118 CO 0.12 0.01 0.20 0.54 0.00 0.00 0.00 175.10 175.97 1ba9 s VAL 119 N -0.33 4.63 0.23 2.92 0.11 -0.35 -1.67 120.40 125.94 1ba9 s VAL 119 Ca -0.00 -1.16 0.10 0.00 -2.93 0.00 0.00 61.98 57.99 1ba9 s VAL 119 Cb -0.03 -3.43 -0.04 0.00 -1.53 0.00 0.00 36.38 31.34 1ba9 s VAL 119 CO -0.00 -0.22 -0.12 -1.00 -3.33 0.00 0.00 175.10 170.43 1ba9 s HIS 120 N -1.92 2.51 0.08 1.54 3.76 0.24 -2.74 115.29 118.77 1ba9 s HIS 120 Ca 0.32 -0.27 -0.24 0.00 -0.15 0.00 0.00 55.06 54.72 1ba9 s HIS 120 Cb -0.09 -1.16 -0.16 0.00 1.11 0.00 0.00 32.58 32.28 1ba9 s HIS 120 CO 0.25 0.59 1.69 1.49 -0.85 0.00 0.00 174.74 177.91 1ba9 h GLU 121 N 2.51 -0.05 0.00 1.40 4.81 -1.01 -3.35 114.58 118.88 1ba9 h GLU 121 Ca -0.44 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.53 1ba9 h GLU 121 Cb 1.23 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 1ba9 h GLU 121 CO 0.56 0.01 -0.12 1.63 -0.73 0.00 0.00 179.01 180.36 1ba9 n LYS 122 N -5.09 1.10 -2.24 1.92 5.02 -1.26 -4.80 118.16 112.81 1ba9 n LYS 122 Ca -0.08 -1.55 -0.37 0.00 -2.02 0.00 0.00 58.31 54.30 1ba9 n LYS 122 Cb 0.07 0.14 -0.00 0.00 -0.02 0.00 0.00 35.03 35.22 1ba9 n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ba9 s ALA 123 N -2.35 2.88 0.17 7.82 0.00 -1.22 -0.82 121.76 128.24 1ba9 s ALA 123 Ca 0.15 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.73 1ba9 s ALA 123 Cb -0.01 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 1ba9 s ALA 123 CO 0.10 -0.72 1.14 0.16 0.00 0.00 0.00 175.76 176.43 1ba9 s ASP 124 N -1.46 7.19 0.00 0.00 1.47 -1.26 -4.00 116.67 118.61 1ba9 s ASP 124 Ca 0.67 2.13 0.00 0.00 1.18 0.00 0.00 52.55 56.52 1ba9 s ASP 124 Cb -0.28 -2.60 0.00 0.00 -0.34 0.00 0.00 42.92 39.70 1ba9 s ASP 124 CO 0.33 -0.29 0.73 -0.67 0.68 0.00 0.00 175.17 175.95 1ba9 n ASP 125 N 2.57 0.15 -4.46 2.11 2.03 -0.04 -4.87 116.55 114.05 1ba9 n ASP 125 Ca 0.04 -1.62 -0.40 0.00 0.52 0.00 0.00 54.79 53.33 1ba9 n ASP 125 Cb 0.46 -0.08 -0.08 0.00 -0.72 0.00 0.00 41.12 40.70 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 -0.39 -0.98 -2.40 -2.67 4.77 -1.26 -0.97 117.00 113.10 1ba9 n LEU 126 Ca 0.00 -1.22 -0.16 0.00 -0.03 0.00 0.00 56.01 54.59 1ba9 n LEU 126 Cb 0.04 -1.67 -0.01 0.00 -2.33 0.00 0.00 43.42 39.45 1ba9 n LEU 126 CO 0.00 0.20 -0.21 0.61 -1.33 0.00 0.00 177.39 176.66 1ba9 n GLY 127 N -1.41 -0.45 0.11 -0.72 0.00 -1.25 -4.13 105.19 97.34 1ba9 n GLY 127 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.00 0.00 1.61 1.79 -1.37 -3.33 116.57 115.27 1ba9 h LYS 128 Ca -0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1ba9 h LYS 128 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1ba9 h LYS 128 CO 0.46 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.24 1ba9 n GLY 129 N 1.27 -0.77 3.29 3.86 0.00 -1.26 -4.86 105.19 106.73 1ba9 n GLY 129 Ca 0.04 -0.03 -0.24 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 -0.54 -0.53 3.01 -0.02 0.00 -1.25 -4.97 105.19 100.88 1ba9 n GLY 130 Ca 0.03 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.95 -0.17 0.13 1.61 2.47 -1.26 -5.04 114.94 109.74 1ba9 s ASN 131 Ca 0.43 0.35 -0.26 0.00 0.42 0.00 0.00 52.86 53.80 1ba9 s ASN 131 Cb -0.19 0.30 -0.06 0.00 -1.45 0.00 0.00 41.25 39.85 1ba9 s ASN 131 CO 0.53 -0.10 1.43 1.21 -3.72 0.00 0.00 177.10 176.45 1ba9 n GLU 132 N 3.53 -0.37 -0.06 0.43 0.00 -1.26 -0.05 120.64 122.86 1ba9 n GLU 132 Ca -0.18 1.40 -0.03 0.00 0.00 0.00 0.00 57.16 58.34 1ba9 n GLU 132 Cb 0.56 -2.07 -0.03 0.00 0.00 0.00 0.00 31.44 29.91 1ba9 n GLU 132 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1ba9 h GLN 133 N 0.00 -0.06 -0.50 5.31 -0.00 -1.98 0.61 115.11 118.49 1ba9 h GLN 133 Ca 0.13 0.00 0.10 0.00 -0.00 0.00 0.00 58.65 58.89 1ba9 h GLN 133 Cb 0.34 0.01 -0.10 0.00 0.00 0.00 0.00 27.48 27.74 1ba9 h GLN 133 CO -0.78 -0.04 -0.13 1.03 0.00 0.00 0.00 178.83 178.91 1ba9 h SER 134 N -0.07 -0.48 0.25 -0.69 0.87 -1.79 0.51 113.55 112.16 1ba9 h SER 134 Ca 0.03 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1ba9 h SER 134 Cb 0.13 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1ba9 h SER 134 CO -0.18 -0.17 0.00 0.41 -0.53 0.00 0.00 176.83 176.36 1ba9 n THR 135 N -5.36 0.97 -0.07 2.23 -1.04 0.92 0.39 114.28 112.31 1ba9 n THR 135 Ca 0.05 0.24 -0.09 0.00 -2.04 0.00 0.00 64.05 62.21 1ba9 n THR 135 Cb 0.27 -1.07 -0.09 0.00 -1.82 0.00 0.00 70.33 67.62 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 -1.37 1.07 0.00 -2.82 4.81 0.20 -0.46 118.16 119.59 1ba9 n LYS 136 Ca 0.04 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1ba9 n LYS 136 Cb 0.10 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 33.82 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 -2.75 0.00 0.00 3.15 -2.24 0.17 -4.34 114.28 108.26 1ba9 n THR 137 Ca -0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1ba9 n THR 137 Cb 0.85 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1ba9 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ba9 n GLY 138 N 2.42 0.82 2.60 3.38 0.00 0.16 -4.62 105.19 109.95 1ba9 n GLY 138 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -5.49 0.18 1.61 5.15 -1.26 -0.86 115.26 114.59 1ba9 n ASN 139 Ca 0.00 0.51 -0.14 0.00 -0.60 0.00 0.00 54.58 54.35 1ba9 n ASN 139 Cb 0.00 -4.80 -0.08 0.00 -0.53 0.00 0.00 39.78 34.37 1ba9 n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ba9 h ALA 140 N 0.00 -0.44 0.00 5.20 0.00 -1.82 -3.48 119.26 118.72 1ba9 h ALA 140 Ca -0.42 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1ba9 h ALA 140 Cb 1.35 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1ba9 h ALA 140 CO 0.62 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1ba9 n GLY 141 N -0.59 0.79 3.63 0.00 0.00 -1.26 -3.98 105.19 103.77 1ba9 n GLY 141 Ca -0.10 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 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 0.84 -0.43 1.61 0.15 -1.26 -4.57 113.70 106.04 1ba9 s SER 142 Ca 0.00 0.44 -0.14 0.00 0.70 0.00 0.00 55.95 56.95 1ba9 s SER 142 Cb 0.00 -0.54 0.05 0.00 -1.71 0.00 0.00 66.02 63.82 1ba9 s SER 142 CO 0.00 -4.15 0.32 -0.13 1.20 0.00 0.00 173.24 170.48 1ba9 s ARG 143 N -5.59 2.91 0.40 5.44 3.00 -1.26 -0.47 118.95 123.38 1ba9 s ARG 143 Ca 0.73 -1.22 0.07 0.00 0.00 0.00 0.00 55.73 55.31 1ba9 s ARG 143 Cb -0.07 -3.98 0.83 0.00 0.00 0.00 0.00 34.95 31.73 1ba9 s ARG 143 CO 0.55 -0.88 2.03 -0.07 0.00 0.00 0.00 175.30 176.93 1ba9 h LEU 144 N 8.63 0.52 -7.05 2.53 -0.00 -1.77 -3.45 115.31 114.72 1ba9 h LEU 144 Ca -0.27 -0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.55 1ba9 h LEU 144 Cb 1.11 -0.12 -0.16 0.00 -0.00 0.00 0.00 40.66 41.48 1ba9 h LEU 144 CO 0.79 0.37 0.16 0.00 -0.00 0.00 0.00 178.44 179.75 1ba9 s ALA 145 N -5.54 -1.61 -0.01 1.53 0.00 -1.25 -4.01 121.76 110.87 1ba9 s ALA 145 Ca -0.09 0.90 0.04 0.00 0.00 0.00 0.00 51.96 52.81 1ba9 s ALA 145 Cb 0.18 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 1ba9 s ALA 145 CO 0.74 -0.52 -0.12 0.00 0.00 0.00 0.00 175.76 175.86 1ba9 s GLY 147 N -0.27 0.82 -0.07 0.00 0.00 0.67 -0.79 107.32 107.67 1ba9 s GLY 147 Ca 0.04 -1.16 0.04 0.00 0.00 0.00 0.00 44.72 43.64 1ba9 s GLY 147 CO -0.00 -0.97 -0.20 0.54 0.00 0.00 0.00 173.10 172.47 1ba9 s VAL 148 N -4.05 2.54 -0.14 1.40 0.11 -1.26 0.05 120.40 119.07 1ba9 s VAL 148 Ca 0.26 -0.89 -0.23 0.00 -2.93 0.00 0.00 61.98 58.19 1ba9 s VAL 148 Cb 0.03 -1.98 -0.03 0.00 -1.53 0.00 0.00 36.38 32.88 1ba9 s VAL 148 CO 0.07 0.57 0.72 -0.63 -3.33 0.00 0.00 175.10 172.49 1ba9 s ILE 149 N -0.20 4.98 0.21 7.04 1.01 0.08 -3.76 121.20 130.58 1ba9 s ILE 149 Ca -0.01 1.43 0.02 0.00 0.00 0.00 0.00 60.65 62.08 1ba9 s ILE 149 Cb -0.13 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 1ba9 s ILE 149 CO 0.03 0.14 0.24 0.61 0.00 0.00 0.00 174.94 175.95 1ba9 n GLY 150 N 3.43 2.94 3.79 6.18 0.00 0.20 -0.65 105.19 121.08 1ba9 n GLY 150 Ca 0.01 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.75 3.83 -0.32 -0.61 -1.09 -1.26 -0.37 121.20 118.64 1ba9 s ILE 151 Ca 0.21 1.24 -0.07 0.00 -2.23 0.00 0.00 60.65 59.81 1ba9 s ILE 151 Cb 0.00 -3.56 -0.21 0.00 -1.58 0.00 0.00 42.46 37.11 1ba9 s ILE 151 CO 0.15 -0.15 3.45 0.00 -1.23 0.00 0.00 174.94 177.16 1ba9 n ALA 152 N -0.57 6.59 -1.20 9.38 0.00 -0.84 -4.40 120.51 129.47 1ba9 n ALA 152 Ca 0.07 -2.22 0.00 0.00 0.00 0.00 0.00 53.44 51.29 1ba9 n ALA 152 Cb 0.52 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1ba9 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44