#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 4.69 -0.07 0.00 2.01 -1.26 -5.11 115.64 115.90 1ba9 s THR 2 Ca 0.00 0.85 -0.07 0.00 0.31 0.00 0.00 61.69 62.78 1ba9 s THR 2 Cb 0.00 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.75 1ba9 s THR 2 CO 0.00 -0.80 0.20 -1.59 -0.69 0.00 0.00 174.62 171.75 1ba9 s LYS 3 N -4.41 0.26 0.31 4.92 -2.85 -1.26 -4.20 119.74 112.51 1ba9 s LYS 3 Ca 0.54 0.23 0.07 0.00 -1.00 0.00 0.00 55.97 55.82 1ba9 s LYS 3 Cb -0.10 0.13 -0.03 0.00 -2.06 0.00 0.00 37.83 35.77 1ba9 s LYS 3 CO 0.39 -0.04 0.30 0.00 0.10 0.00 0.00 175.35 176.10 1ba9 s ALA 4 N -0.01 3.84 0.03 0.59 0.00 0.50 -0.72 121.76 125.98 1ba9 s ALA 4 Ca -0.01 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 50.42 1ba9 s ALA 4 Cb -0.02 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 1ba9 s ALA 4 CO 0.00 0.08 -0.04 0.54 0.00 0.00 0.00 175.76 176.34 1ba9 s VAL 5 N -2.22 0.24 -0.16 0.00 0.11 0.56 -0.56 120.40 118.37 1ba9 s VAL 5 Ca 0.39 -0.93 -0.03 0.00 -2.93 0.00 0.00 61.98 58.48 1ba9 s VAL 5 Cb -0.07 -0.36 0.05 0.00 -1.53 0.00 0.00 36.38 34.47 1ba9 s VAL 5 CO 0.27 -0.44 0.03 0.00 -3.33 0.00 0.00 175.10 171.63 1ba9 s ALA 6 N -1.38 0.88 -0.87 1.54 0.00 0.14 -1.03 121.76 121.04 1ba9 s ALA 6 Ca -0.14 -0.53 -0.21 0.00 0.00 0.00 0.00 51.96 51.08 1ba9 s ALA 6 Cb -0.10 -1.07 0.10 0.00 0.00 0.00 0.00 23.12 22.05 1ba9 s ALA 6 CO -0.01 -1.02 1.16 0.14 0.00 0.00 0.00 175.76 176.04 1ba9 s VAL 7 N 1.91 4.43 0.38 0.00 -7.23 -1.25 -0.76 120.40 117.88 1ba9 s VAL 7 Ca 0.01 -1.05 -0.27 0.00 -1.81 0.00 0.00 61.98 58.85 1ba9 s VAL 7 Cb -0.16 -4.82 -0.11 0.00 0.56 0.00 0.00 36.38 31.85 1ba9 s VAL 7 CO -0.07 -1.59 1.39 0.18 -0.31 0.00 0.00 175.10 174.69 1ba9 n LEU 8 N 7.39 4.30 -3.70 1.32 4.32 0.11 -4.40 117.00 126.33 1ba9 n LEU 8 Ca 0.18 1.20 -0.14 0.00 -0.02 0.00 0.00 56.01 57.23 1ba9 n LEU 8 Cb 0.49 -1.56 -0.09 0.00 -1.62 0.00 0.00 43.42 40.64 1ba9 n LEU 8 CO 0.58 -0.18 0.18 -0.75 -1.22 0.00 0.00 177.39 176.00 1ba9 s LYS 9 N -2.07 0.61 0.00 3.23 2.20 0.39 -1.18 119.74 122.93 1ba9 s LYS 9 Ca 0.55 0.60 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 1ba9 s LYS 9 Cb -0.51 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.11 1ba9 s LYS 9 CO 0.62 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.93 1ba9 n GLY 10 N 2.60 7.02 0.31 5.54 0.00 0.13 -0.86 105.19 119.92 1ba9 n GLY 10 Ca -0.14 -2.01 -0.07 0.00 0.00 0.00 0.00 46.02 43.80 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 0.97 -0.29 1.61 3.58 -1.86 -3.45 116.42 116.98 1ba9 h ASP 11 Ca 0.00 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.22 1ba9 h ASP 11 Cb 0.00 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.79 1ba9 h ASP 11 CO 0.00 0.98 0.00 0.61 -2.88 0.00 0.00 179.24 177.95 1ba9 n GLY 12 N -0.60 3.45 0.00 -0.78 0.00 -1.26 -4.99 105.19 101.01 1ba9 n GLY 12 Ca 0.04 -1.89 0.10 0.00 0.00 0.00 0.00 46.02 44.26 1ba9 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ba9 n PRO 13 N 0.00 0.02 -1.47 1.61 -0.04 -1.26 -4.73 135.00 129.13 1ba9 n PRO 13 Ca 0.00 0.14 -0.43 0.00 -0.04 0.00 0.00 63.50 63.17 1ba9 n PRO 13 Cb 0.00 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 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 -1.48 -0.00 -3.87 0.52 0.31 -1.25 -4.55 118.33 108.00 1ba9 n VAL 14 Ca 0.05 -0.05 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1ba9 n VAL 14 Cb 0.24 -0.65 -0.06 0.00 -0.91 0.00 0.00 33.84 32.46 1ba9 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ba9 s GLN 15 N 8.58 1.15 -0.29 5.55 -2.07 -0.93 0.18 119.66 131.82 1ba9 s GLN 15 Ca 1.32 -1.04 -0.17 0.00 -1.82 0.00 0.00 55.36 53.65 1ba9 s GLN 15 Cb -1.22 0.41 0.13 0.00 -1.09 0.00 0.00 33.01 31.25 1ba9 s GLN 15 CO 0.50 -0.43 0.94 0.20 -1.32 0.00 0.00 175.29 175.17 1ba9 s GLY 16 N -2.92 -0.11 -0.87 2.60 0.00 -0.32 0.13 107.32 105.83 1ba9 s GLY 16 Ca 0.12 2.99 -0.20 0.00 0.00 0.00 0.00 44.72 47.63 1ba9 s GLY 16 CO -0.03 2.50 1.13 -0.42 0.00 0.00 0.00 173.10 176.28 1ba9 s ILE 17 N 1.28 4.50 0.50 0.90 1.09 -1.08 0.04 121.20 128.43 1ba9 s ILE 17 Ca -0.08 -1.13 -0.15 0.00 -1.10 0.00 0.00 60.65 58.19 1ba9 s ILE 17 Cb -0.04 -4.80 -0.07 0.00 -1.06 0.00 0.00 42.46 36.49 1ba9 s ILE 17 CO -0.15 -1.56 0.94 -0.63 -0.10 0.00 0.00 174.94 173.44 1ba9 s ILE 18 N 3.39 4.61 -0.05 2.92 -1.09 0.06 -3.24 121.20 127.80 1ba9 s ILE 18 Ca 0.32 1.05 -0.04 0.00 -2.23 0.00 0.00 60.65 59.75 1ba9 s ILE 18 Cb -0.07 -3.73 0.01 0.00 -1.58 0.00 0.00 42.46 37.09 1ba9 s ILE 18 CO -0.04 -0.68 0.12 0.20 -1.23 0.00 0.00 174.94 173.30 1ba9 s ASN 19 N -3.17 -0.11 -0.17 3.58 0.01 0.15 -0.68 114.94 114.54 1ba9 s ASN 19 Ca 0.57 0.24 -0.02 0.00 -0.71 0.00 0.00 52.86 52.93 1ba9 s ASN 19 Cb -0.10 0.22 0.05 0.00 0.41 0.00 0.00 41.25 41.83 1ba9 s ASN 19 CO 0.33 -0.05 0.01 -0.36 -1.51 0.00 0.00 177.10 175.52 1ba9 s PHE 20 N 0.21 1.12 -0.23 2.20 0.08 0.27 -1.05 117.98 120.59 1ba9 s PHE 20 Ca -0.01 -0.81 -0.10 0.00 0.12 0.00 0.00 56.93 56.13 1ba9 s PHE 20 Cb -0.02 -1.05 -0.05 0.00 -0.57 0.00 0.00 43.02 41.33 1ba9 s PHE 20 CO -0.01 -0.57 0.14 -2.00 -0.10 0.00 0.00 175.22 172.69 1ba9 s GLU 21 N 1.83 4.07 -0.08 0.44 -6.30 -0.37 -0.37 118.70 117.90 1ba9 s GLU 21 Ca 0.00 -0.28 -0.13 0.00 -2.50 0.00 0.00 54.97 52.07 1ba9 s GLU 21 Cb -0.16 -3.48 0.03 0.00 0.00 0.00 0.00 34.13 30.52 1ba9 s GLU 21 CO -0.07 0.11 0.33 -1.14 0.02 0.00 0.00 175.26 174.50 1ba9 s GLN 22 N 0.90 0.50 -0.02 4.30 0.74 -1.26 -0.91 119.66 123.91 1ba9 s GLN 22 Ca 0.07 0.21 0.03 0.00 0.05 0.00 0.00 55.36 55.72 1ba9 s GLN 22 Cb -0.13 0.23 0.04 0.00 1.10 0.00 0.00 33.01 34.25 1ba9 s GLN 22 CO 0.03 -0.10 0.87 0.36 -0.55 0.00 0.00 175.29 175.90 1ba9 n LYS 23 N 2.27 0.45 -4.08 1.67 2.85 -1.26 -4.35 118.16 115.71 1ba9 n LYS 23 Ca -0.16 -1.12 -0.10 0.00 -1.05 0.00 0.00 58.31 55.88 1ba9 n LYS 23 Cb 0.57 -0.69 -0.11 0.00 -0.65 0.00 0.00 35.03 34.16 1ba9 n LYS 23 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1ba9 s GLU 24 N -0.50 0.58 0.07 -1.58 8.01 -1.26 -5.01 118.70 119.01 1ba9 s GLU 24 Ca 0.05 -0.98 -0.25 0.00 0.01 0.00 0.00 54.97 53.80 1ba9 s GLU 24 Cb 0.04 -0.07 -0.16 0.00 -4.31 0.00 0.00 34.13 29.62 1ba9 s GLU 24 CO 0.00 -0.02 1.64 0.77 0.01 0.00 0.00 175.26 177.66 1ba9 h SER 25 N 3.84 -0.16 -0.08 -0.19 0.02 -1.97 -3.35 113.55 111.66 1ba9 h SER 25 Ca -0.34 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.47 1ba9 h SER 25 Cb 1.18 0.04 -0.09 0.00 0.14 0.00 0.00 62.40 63.67 1ba9 h SER 25 CO 0.53 -0.05 -0.59 0.59 -1.14 0.00 0.00 176.83 176.17 1ba9 n ASN 26 N -5.14 1.97 -4.94 3.07 4.13 -1.26 -2.78 115.26 110.31 1ba9 n ASN 26 Ca -0.08 -3.69 -0.24 0.00 1.68 0.00 0.00 54.58 52.25 1ba9 n ASN 26 Cb 0.13 -0.49 -0.01 0.00 -1.54 0.00 0.00 39.78 37.87 1ba9 n ASN 26 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1ba9 s GLY 27 N -3.16 1.38 -0.06 7.41 0.00 -1.26 -5.03 107.32 106.60 1ba9 s GLY 27 Ca 0.39 -0.92 -0.30 0.00 0.00 0.00 0.00 44.72 43.89 1ba9 s GLY 27 CO -0.07 -0.84 1.78 2.56 0.00 0.00 0.00 173.10 176.53 1ba9 s PRO 28 N -4.37 4.04 0.33 2.90 0.04 -1.26 -4.80 135.00 131.88 1ba9 s PRO 28 Ca 0.42 2.23 -0.27 0.00 0.04 0.00 0.00 61.00 63.41 1ba9 s PRO 28 Cb -0.10 -4.07 -0.09 0.00 0.04 0.00 0.00 34.50 30.28 1ba9 s PRO 28 CO 0.37 -1.03 1.12 0.54 0.04 0.00 0.00 177.00 178.04 1ba9 s VAL 29 N 4.64 3.39 -0.30 -0.36 0.11 0.77 -4.81 120.40 123.83 1ba9 s VAL 29 Ca 0.79 1.28 -0.11 0.00 -2.93 0.00 0.00 61.98 61.01 1ba9 s VAL 29 Cb -0.35 -3.77 -0.03 0.00 -1.53 0.00 0.00 36.38 30.70 1ba9 s VAL 29 CO 0.33 0.22 0.19 -0.54 -3.33 0.00 0.00 175.10 171.97 1ba9 s LYS 30 N -1.86 3.68 -0.18 1.54 -0.14 -0.08 -1.69 119.74 121.01 1ba9 s LYS 30 Ca 0.50 -0.50 -0.08 0.00 -1.36 0.00 0.00 55.97 54.52 1ba9 s LYS 30 Cb -0.31 -3.66 -0.04 0.00 -1.68 0.00 0.00 37.83 32.14 1ba9 s LYS 30 CO 0.39 -0.30 0.10 0.08 -0.76 0.00 0.00 175.35 174.86 1ba9 s VAL 31 N 1.71 5.14 0.06 3.17 1.01 0.40 -1.24 120.40 130.66 1ba9 s VAL 31 Ca 0.06 0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.87 1ba9 s VAL 31 Cb -0.17 -3.32 0.07 0.00 0.00 0.00 0.00 36.38 32.97 1ba9 s VAL 31 CO 0.09 0.47 0.67 -1.66 0.00 0.00 0.00 175.10 174.67 1ba9 s TRP 32 N 0.16 -0.56 0.02 5.22 -2.14 -0.21 -0.69 118.94 120.74 1ba9 s TRP 32 Ca 0.07 0.61 -0.08 0.00 2.66 0.00 0.00 56.10 59.36 1ba9 s TRP 32 Cb -0.12 0.50 0.03 0.00 -3.10 0.00 0.00 33.47 30.78 1ba9 s TRP 32 CO -0.00 -0.72 0.37 0.41 -2.66 0.00 0.00 176.95 174.34 1ba9 n GLY 33 N 0.11 0.78 2.98 3.67 0.00 -0.27 0.33 105.19 112.80 1ba9 n GLY 33 Ca -0.17 -0.94 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.84 -0.16 0.82 1.61 0.01 -1.20 -0.64 113.70 112.31 1ba9 s SER 34 Ca 0.08 0.01 -0.11 0.00 1.31 0.00 0.00 55.95 57.24 1ba9 s SER 34 Cb -0.01 1.37 0.09 0.00 0.21 0.00 0.00 66.02 67.68 1ba9 s SER 34 CO 0.01 -0.32 1.09 -0.63 0.41 0.00 0.00 173.24 173.80 1ba9 s ILE 35 N 2.62 3.04 -0.28 1.44 1.01 0.05 -2.65 121.20 126.44 1ba9 s ILE 35 Ca 0.12 0.34 0.01 0.00 0.00 0.00 0.00 60.65 61.11 1ba9 s ILE 35 Cb -0.13 -2.91 0.16 0.00 0.01 0.00 0.00 42.46 39.59 1ba9 s ILE 35 CO -0.25 -0.44 0.44 -1.59 0.00 0.00 0.00 174.94 173.10 1ba9 s LYS 36 N -4.99 0.43 0.00 2.79 -2.85 0.12 -3.66 119.74 111.58 1ba9 s LYS 36 Ca 0.62 0.40 0.00 0.00 -1.00 0.00 0.00 55.97 55.99 1ba9 s LYS 36 Cb -0.16 -0.19 0.00 0.00 -2.06 0.00 0.00 37.83 35.41 1ba9 s LYS 36 CO 0.56 -0.87 0.00 0.41 0.10 0.00 0.00 175.35 175.55 1ba9 n GLY 37 N 5.37 0.09 3.04 0.59 0.00 0.05 -2.20 105.19 112.13 1ba9 n GLY 37 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.73 0.99 7.99 -0.79 -4.47 117.00 115.99 1ba9 n LEU 38 Ca 0.00 -0.99 -0.23 0.00 -0.01 0.00 0.00 56.01 54.78 1ba9 n LEU 38 Cb 0.00 -0.88 -0.06 0.00 -0.11 0.00 0.00 43.42 42.37 1ba9 n LEU 38 CO 0.00 -2.11 -0.26 0.28 -1.51 0.00 0.00 177.39 173.80 1ba9 s THR 39 N -2.64 3.91 0.73 -5.08 -1.32 -1.26 -4.10 115.64 105.88 1ba9 s THR 39 Ca 0.62 -1.65 -0.16 0.00 -1.21 0.00 0.00 61.69 59.30 1ba9 s THR 39 Cb -0.07 -3.09 0.01 0.00 -1.51 0.00 0.00 72.50 67.84 1ba9 s THR 39 CO 0.48 -0.34 0.94 -1.84 -2.21 0.00 0.00 174.62 171.65 1ba9 n GLU 40 N -0.95 0.47 0.00 7.08 0.28 -1.22 -4.63 120.64 121.67 1ba9 n GLU 40 Ca -0.07 0.21 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 1ba9 n GLU 40 Cb 0.58 -2.20 0.00 0.00 1.43 0.00 0.00 31.44 31.25 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 1.12 0.30 3.10 -1.84 0.00 -0.65 -4.88 105.19 102.34 1ba9 n GLY 41 Ca 0.13 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 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 1.84 -0.03 0.99 2.34 -1.26 -0.37 118.68 122.20 1ba9 s LEU 42 Ca 0.00 -0.50 -0.01 0.00 0.06 0.00 0.00 54.13 53.68 1ba9 s LEU 42 Cb 0.00 0.54 0.03 0.00 -0.56 0.00 0.00 46.19 46.21 1ba9 s LEU 42 CO 0.00 -0.47 0.05 -1.00 -1.06 0.00 0.00 176.35 173.87 1ba9 s HIS 43 N -2.37 -0.00 0.43 3.48 3.76 0.40 -3.87 115.29 117.12 1ba9 s HIS 43 Ca -0.07 0.20 -0.24 0.00 -0.15 0.00 0.00 55.06 54.79 1ba9 s HIS 43 Cb -0.03 -0.22 -0.10 0.00 1.11 0.00 0.00 32.58 33.35 1ba9 s HIS 43 CO -0.04 -0.11 1.12 0.41 -0.85 0.00 0.00 174.74 175.28 1ba9 n GLY 44 N 4.21 0.11 2.66 -2.22 0.00 -0.80 -0.35 105.19 108.80 1ba9 n GLY 44 Ca -0.27 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1ba9 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ba9 s PHE 45 N -1.25 0.12 0.28 1.61 2.19 -0.13 0.17 117.98 120.96 1ba9 s PHE 45 Ca 0.63 0.08 -0.16 0.00 0.33 0.00 0.00 56.93 57.81 1ba9 s PHE 45 Cb -0.53 -0.55 0.01 0.00 -1.31 0.00 0.00 43.02 40.64 1ba9 s PHE 45 CO 0.56 -0.29 0.60 -1.01 1.83 0.00 0.00 175.22 176.92 1ba9 s HIS 46 N 2.15 0.16 -0.27 10.12 0.09 -0.40 -3.61 115.29 123.53 1ba9 s HIS 46 Ca 0.04 -0.58 -0.10 0.00 -0.00 0.00 0.00 55.06 54.42 1ba9 s HIS 46 Cb -0.13 0.44 -0.04 0.00 -0.00 0.00 0.00 32.58 32.85 1ba9 s HIS 46 CO -0.05 -1.15 0.15 0.54 -0.00 0.00 0.00 174.74 174.23 1ba9 s VAL 47 N -3.78 4.91 0.67 -0.90 0.11 -1.20 -0.58 120.40 119.63 1ba9 s VAL 47 Ca 0.18 0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 59.20 1ba9 s VAL 47 Cb -0.03 -3.34 0.08 0.00 -1.53 0.00 0.00 36.38 31.56 1ba9 s VAL 47 CO 0.09 0.27 0.95 -1.00 -3.33 0.00 0.00 175.10 172.07 1ba9 s HIS 48 N 1.70 2.48 0.00 1.54 3.76 0.76 -2.55 115.29 122.98 1ba9 s HIS 48 Ca 0.07 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 1ba9 s HIS 48 Cb -0.16 -3.05 0.00 0.00 1.11 0.00 0.00 32.58 30.48 1ba9 s HIS 48 CO 0.08 -1.38 0.00 -1.91 -0.85 0.00 0.00 174.74 170.68 1ba9 n GLU 49 N -2.75 3.04 0.00 1.40 2.13 -0.85 -3.68 120.64 119.92 1ba9 n GLU 49 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1ba9 n GLU 49 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 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 0.00 5.31 -0.58 -1.26 -4.30 120.64 119.80 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 0.39 -0.48 0.00 0.00 177.13 177.04 1ba9 n GLU 51 N 0.00 0.00 -3.44 3.49 1.02 -1.26 -4.11 120.64 116.33 1ba9 n GLU 51 Ca 0.00 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.70 1ba9 n GLU 51 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 1ba9 n GLU 51 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ba9 s ASP 52 N -4.00 6.39 0.00 1.62 2.15 -1.22 -4.19 116.67 117.42 1ba9 s ASP 52 Ca 0.00 -2.87 0.00 0.00 0.43 0.00 0.00 52.55 50.11 1ba9 s ASP 52 Cb 0.00 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 1ba9 s ASP 52 CO 0.00 -0.48 0.00 -3.20 -0.17 0.00 0.00 175.17 171.32 1ba9 n ASN 53 N 3.65 0.00 -1.68 -0.34 4.05 -1.26 -5.00 115.26 114.68 1ba9 n ASN 53 Ca 0.14 0.00 -0.02 0.00 0.45 0.00 0.00 54.58 55.15 1ba9 n ASN 53 Cb 0.44 0.02 -0.03 0.00 1.23 0.00 0.00 39.78 41.44 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 -1.32 1.88 -0.34 -0.44 5.66 -1.26 -4.67 114.28 113.79 1ba9 n THR 54 Ca 0.00 -0.60 0.18 0.00 -3.05 0.00 0.00 64.05 60.58 1ba9 n THR 54 Cb 0.00 -1.53 0.41 0.00 -1.55 0.00 0.00 70.33 67.66 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 1.87 1.89 -0.46 1.79 0.00 -1.94 -0.77 119.26 121.64 1ba9 h ALA 55 Ca 0.03 0.10 -0.32 0.00 0.00 0.00 0.00 54.91 54.73 1ba9 h ALA 55 Cb 0.94 -0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.35 1ba9 h ALA 55 CO 0.06 -0.33 -0.99 0.41 0.00 0.00 0.00 179.25 178.40 1ba9 n GLY 56 N -1.36 3.31 2.84 0.00 0.00 -1.26 -5.04 105.19 103.67 1ba9 n GLY 56 Ca 0.26 -1.55 -0.05 0.00 0.00 0.00 0.00 46.02 44.68 1ba9 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba9 n THR 58 N 0.30 0.00 -0.18 0.00 -1.04 -1.26 -4.93 114.28 107.17 1ba9 n THR 58 Ca 0.04 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.04 1ba9 n THR 58 Cb 0.24 -0.39 0.08 0.00 -1.82 0.00 0.00 70.33 68.45 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 -0.06 -6.02 8.00 0.02 -1.94 -3.46 113.55 110.08 1ba9 h SER 59 Ca 0.00 0.11 -0.40 0.00 -0.84 0.00 0.00 61.79 60.66 1ba9 h SER 59 Cb 0.00 0.16 0.08 0.00 0.14 0.00 0.00 62.40 62.78 1ba9 h SER 59 CO 0.00 -0.01 -0.84 0.00 -1.14 0.00 0.00 176.83 174.84 1ba9 n ALA 60 N -2.60 -2.09 -0.70 3.77 0.00 -1.26 -4.96 120.51 112.68 1ba9 n ALA 60 Ca 0.07 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 1ba9 n ALA 60 Cb 0.29 -2.39 0.16 0.00 0.00 0.00 0.00 19.45 17.51 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 -1.53 -1.61 1.99 0.00 0.00 -1.26 -5.01 105.19 97.77 1ba9 n GLY 61 Ca -0.27 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.95 -1.06 -1.57 1.61 -0.04 -1.26 -4.48 135.00 125.25 1ba9 n PRO 62 Ca 0.07 -1.04 -0.46 0.00 -0.04 0.00 0.00 63.50 62.03 1ba9 n PRO 62 Cb 0.55 -0.76 -0.02 0.00 -0.04 0.00 0.00 33.50 33.22 1ba9 n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ba9 n HIS 63 N -3.17 1.09 -0.59 0.54 8.25 -1.26 -2.01 115.22 118.07 1ba9 n HIS 63 Ca 0.09 0.73 -0.29 0.00 -0.26 0.00 0.00 57.72 57.98 1ba9 n HIS 63 Cb 0.31 -2.23 0.22 0.00 1.12 0.00 0.00 29.99 29.41 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 -0.85 1.43 -0.02 4.41 2.19 -1.06 -4.62 117.98 119.48 1ba9 s PHE 64 Ca 0.63 1.40 0.00 0.00 0.33 0.00 0.00 56.93 59.29 1ba9 s PHE 64 Cb -0.76 -3.18 0.02 0.00 -1.31 0.00 0.00 43.02 37.79 1ba9 s PHE 64 CO 0.58 -3.53 0.01 -0.80 1.83 0.00 0.00 175.22 173.31 1ba9 s ASN 65 N -2.56 0.22 -0.02 6.13 -0.87 -1.26 -4.51 114.94 112.06 1ba9 s ASN 65 Ca 0.68 -0.00 -0.01 0.00 -1.57 0.00 0.00 52.86 51.96 1ba9 s ASN 65 Cb -0.24 -0.10 -0.00 0.00 -0.02 0.00 0.00 41.25 40.88 1ba9 s ASN 65 CO 0.62 -0.07 -0.02 1.55 -2.57 0.00 0.00 177.10 176.62 1ba9 h PRO 66 N 6.90 0.00 -0.73 -0.60 0.13 -1.90 -3.42 132.00 132.38 1ba9 h PRO 66 Ca -0.38 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.23 1ba9 h PRO 66 Cb 1.15 0.00 -0.43 0.00 0.13 0.00 0.00 31.00 31.85 1ba9 h PRO 66 CO 0.49 0.00 -0.85 1.28 -0.23 0.00 0.00 178.00 178.69 1ba9 n LEU 67 N -2.65 4.61 -3.84 1.56 4.32 -1.26 -4.95 117.00 114.78 1ba9 n LEU 67 Ca -0.01 -4.59 -0.29 0.00 -0.02 0.00 0.00 56.01 51.10 1ba9 n LEU 67 Cb 0.02 -0.26 0.03 0.00 -1.62 0.00 0.00 43.42 41.59 1ba9 n LEU 67 CO 0.01 2.01 0.11 -1.54 -1.22 0.00 0.00 177.39 176.76 1ba9 n SER 68 N -0.70 -4.94 -4.80 -1.43 3.41 -1.26 -4.98 113.62 98.92 1ba9 n SER 68 Ca 0.40 -0.73 -0.31 0.00 -0.26 0.00 0.00 58.87 57.98 1ba9 n SER 68 Cb 0.95 -3.94 0.07 0.00 -0.26 0.00 0.00 64.21 61.04 1ba9 n SER 68 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ba9 s ARG 69 N -6.55 2.46 1.14 4.33 0.52 -1.26 -5.06 118.95 114.53 1ba9 s ARG 69 Ca 0.64 0.89 -0.15 0.00 -0.52 0.00 0.00 55.73 56.59 1ba9 s ARG 69 Cb -0.32 -1.94 0.26 0.00 0.52 0.00 0.00 34.95 33.47 1ba9 s ARG 69 CO 0.79 -1.42 1.07 0.15 0.02 0.00 0.00 175.30 175.91 1ba9 s LYS 70 N -5.05 -0.71 0.88 3.54 1.02 -1.26 -4.79 119.74 113.37 1ba9 s LYS 70 Ca 0.60 0.36 -0.11 0.00 0.02 0.00 0.00 55.97 56.83 1ba9 s LYS 70 Cb -0.15 -1.62 0.12 0.00 -0.52 0.00 0.00 37.83 35.66 1ba9 s LYS 70 CO 0.55 -3.46 1.09 -1.58 -0.92 0.00 0.00 175.35 171.03 1ba9 s HIS 71 N -2.81 2.34 -0.19 3.18 5.65 -0.18 -2.96 115.29 120.32 1ba9 s HIS 71 Ca 0.68 1.32 0.00 0.00 0.25 0.00 0.00 55.06 57.31 1ba9 s HIS 71 Cb -0.17 -3.14 0.00 0.00 -1.18 0.00 0.00 32.58 28.09 1ba9 s HIS 71 CO 0.59 -2.31 0.00 0.41 -0.65 0.00 0.00 174.74 172.78 1ba9 n GLY 72 N -1.09 -0.90 3.07 1.59 0.00 -1.19 -4.30 105.19 102.38 1ba9 n GLY 72 Ca 0.07 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 1ba9 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba9 n GLY 73 N 0.00 3.32 0.27 -0.02 0.00 -1.26 -4.34 105.19 103.16 1ba9 n GLY 73 Ca 0.00 -2.11 0.18 0.00 0.00 0.00 0.00 46.02 44.09 1ba9 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ba9 h PRO 74 N 0.00 0.00 -0.11 1.61 0.13 -1.88 -0.42 132.00 131.33 1ba9 h PRO 74 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1ba9 h PRO 74 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1ba9 h PRO 74 CO 0.47 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.87 1ba9 n LYS 75 N -2.89 2.12 -2.95 0.86 5.02 -1.26 -4.99 118.16 114.08 1ba9 n LYS 75 Ca -0.01 -1.65 -0.25 0.00 -2.02 0.00 0.00 58.31 54.38 1ba9 n LYS 75 Cb 0.19 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1ba9 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ba9 s ASP 76 N -1.85 6.08 0.15 4.39 1.01 -0.17 -5.00 116.67 121.28 1ba9 s ASP 76 Ca 0.33 0.57 -0.06 0.00 0.71 0.00 0.00 52.55 54.09 1ba9 s ASP 76 Cb 0.20 -1.91 -0.01 0.00 1.01 0.00 0.00 42.92 42.21 1ba9 s ASP 76 CO 0.31 -0.58 1.41 1.05 0.21 0.00 0.00 175.17 177.57 1ba9 h GLU 77 N 0.40 0.62 -5.17 8.23 4.11 -1.94 -3.42 114.58 117.41 1ba9 h GLU 77 Ca -0.47 -0.46 -0.65 0.00 0.07 0.00 0.00 59.36 57.85 1ba9 h GLU 77 Cb 1.23 0.08 -0.25 0.00 0.50 0.00 0.00 28.75 30.30 1ba9 h GLU 77 CO 0.60 1.08 -0.71 -1.21 0.07 0.00 0.00 179.01 178.84 1ba9 s GLU 78 N -3.82 3.48 -0.25 1.06 2.02 -1.26 -5.07 118.70 114.85 1ba9 s GLU 78 Ca -0.08 -0.61 -0.22 0.00 0.02 0.00 0.00 54.97 54.09 1ba9 s GLU 78 Cb 0.10 -2.89 0.07 0.00 0.10 0.00 0.00 34.13 31.51 1ba9 s GLU 78 CO 0.87 0.05 0.67 -0.98 0.02 0.00 0.00 175.26 175.88 1ba9 s ARG 79 N 0.84 0.76 0.90 1.61 1.70 -1.16 -3.15 118.95 120.45 1ba9 s ARG 79 Ca -0.02 0.98 -0.13 0.00 -0.47 0.00 0.00 55.73 56.10 1ba9 s ARG 79 Cb -0.15 0.33 0.13 0.00 -0.57 0.00 0.00 34.95 34.69 1ba9 s ARG 79 CO 0.01 -0.11 1.17 -1.01 -1.08 0.00 0.00 175.30 174.28 1ba9 s HIS 80 N 0.62 2.48 0.08 5.89 3.76 -1.24 -4.86 115.29 122.03 1ba9 s HIS 80 Ca -0.02 0.76 -0.15 0.00 -0.15 0.00 0.00 55.06 55.49 1ba9 s HIS 80 Cb -0.05 -3.49 -0.03 0.00 1.11 0.00 0.00 32.58 30.11 1ba9 s HIS 80 CO -0.03 -2.27 1.15 0.28 -0.85 0.00 0.00 174.74 173.01 1ba9 n VAL 81 N -3.67 -0.34 -1.64 -0.90 0.31 -1.26 -1.40 118.33 109.44 1ba9 n VAL 81 Ca 0.08 1.77 -0.31 0.00 -0.01 0.00 0.00 64.34 65.87 1ba9 n VAL 81 Cb 0.60 -2.25 0.05 0.00 -0.91 0.00 0.00 33.84 31.34 1ba9 n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ba9 n GLY 82 N -1.12 6.05 3.25 2.92 0.00 -1.26 -4.72 105.19 110.30 1ba9 n GLY 82 Ca 0.01 -2.46 -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 1.22 0.00 0.00 0.00 173.32 174.54 1ba9 n ASP 83 N -0.81 4.60 -2.52 1.61 8.00 -0.49 -3.26 116.55 123.69 1ba9 n ASP 83 Ca 0.55 -2.91 -0.29 0.00 0.71 0.00 0.00 54.79 52.86 1ba9 n ASP 83 Cb 0.74 -1.69 -0.03 0.00 -0.02 0.00 0.00 41.12 40.12 1ba9 n ASP 83 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ba9 n LEU 84 N 7.21 6.71 0.00 0.64 4.77 -1.24 -2.86 117.00 132.23 1ba9 n LEU 84 Ca 0.49 -4.16 0.00 0.00 -0.03 0.00 0.00 56.01 52.31 1ba9 n LEU 84 Cb 0.43 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1ba9 n LEU 84 CO 0.81 1.69 0.00 0.61 -1.33 0.00 0.00 177.39 179.16 1ba9 n GLY 85 N 0.51 0.64 3.16 -0.72 0.00 -1.26 -4.56 105.19 102.97 1ba9 n GLY 85 Ca 0.49 0.52 -0.10 0.00 0.00 0.00 0.00 46.02 46.92 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 -2.62 0.27 0.35 1.61 2.20 -1.26 -0.95 114.94 114.54 1ba9 s ASN 86 Ca 0.00 -1.24 0.09 0.00 -0.94 0.00 0.00 52.86 50.77 1ba9 s ASN 86 Cb 0.00 0.32 -0.06 0.00 -2.00 0.00 0.00 41.25 39.50 1ba9 s ASN 86 CO 0.00 -0.76 -0.07 0.68 -2.94 0.00 0.00 177.10 174.02 1ba9 s VAL 87 N -4.07 2.29 -0.22 3.54 -7.23 0.53 -4.80 120.40 110.44 1ba9 s VAL 87 Ca 0.27 -2.15 -0.02 0.00 -1.81 0.00 0.00 61.98 58.27 1ba9 s VAL 87 Cb 0.07 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.33 1ba9 s VAL 87 CO 0.04 -0.19 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.66 1ba9 s THR 88 N -2.60 2.83 0.01 5.32 2.01 -1.26 -0.45 115.64 121.50 1ba9 s THR 88 Ca 0.33 -0.79 -0.10 0.00 0.31 0.00 0.00 61.69 61.44 1ba9 s THR 88 Cb 0.03 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 1ba9 s THR 88 CO 0.17 0.39 0.34 0.00 -0.69 0.00 0.00 174.62 174.83 1ba9 s ALA 89 N 1.38 3.76 1.05 7.40 0.00 0.50 -4.10 121.76 131.75 1ba9 s ALA 89 Ca 0.04 -0.40 -0.14 0.00 0.00 0.00 0.00 51.96 51.46 1ba9 s ALA 89 Cb -0.15 -2.23 0.21 0.00 0.00 0.00 0.00 23.12 20.96 1ba9 s ALA 89 CO -0.07 0.56 1.10 -0.51 0.00 0.00 0.00 175.76 176.85 1ba9 s ASP 90 N -1.42 2.21 0.24 0.00 1.01 0.48 -1.63 116.67 117.55 1ba9 s ASP 90 Ca 0.26 1.02 0.16 0.00 0.71 0.00 0.00 52.55 54.71 1ba9 s ASP 90 Cb -0.14 -1.59 0.88 0.00 1.01 0.00 0.00 42.92 43.08 1ba9 s ASP 90 CO 0.14 -3.37 1.50 2.29 0.21 0.00 0.00 175.17 175.94 1ba9 n LYS 91 N -4.31 0.10 0.00 8.23 2.85 -1.26 -0.45 118.16 123.32 1ba9 n LYS 91 Ca 0.07 0.60 0.11 0.00 -1.05 0.00 0.00 58.31 58.05 1ba9 n LYS 91 Cb 0.58 -1.85 0.07 0.00 -0.65 0.00 0.00 35.03 33.18 1ba9 n LYS 91 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1ba9 n ASP 92 N -2.07 2.66 0.00 -5.58 2.03 -1.26 -4.87 116.55 107.46 1ba9 n ASP 92 Ca -0.01 -1.83 0.00 0.00 0.52 0.00 0.00 54.79 53.47 1ba9 n ASP 92 Cb 0.03 0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 1.33 0.48 3.42 0.27 0.00 0.41 -4.67 105.19 106.43 1ba9 n GLY 93 Ca 0.12 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 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 4.18 -0.37 1.61 1.01 -1.26 -0.77 120.40 122.80 1ba9 s VAL 94 Ca 0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 1ba9 s VAL 94 Cb 0.00 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.44 1ba9 s VAL 94 CO 0.00 0.33 0.22 0.00 0.00 0.00 0.00 175.10 175.65 1ba9 s ALA 95 N 1.59 3.32 -0.04 5.51 0.00 -1.24 -0.39 121.76 130.52 1ba9 s ALA 95 Ca 0.06 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 50.05 1ba9 s ALA 95 Cb -0.15 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 1ba9 s ALA 95 CO 0.03 -1.32 1.05 0.16 0.00 0.00 0.00 175.76 175.67 1ba9 s ASP 96 N 1.59 7.24 -0.09 0.00 -4.77 -1.26 -0.77 116.67 118.61 1ba9 s ASP 96 Ca 0.03 1.68 -0.05 0.00 -3.30 0.00 0.00 52.55 50.91 1ba9 s ASP 96 Cb -0.19 -2.56 -0.04 0.00 -1.09 0.00 0.00 42.92 39.04 1ba9 s ASP 96 CO 0.07 -0.40 0.11 -0.69 0.70 0.00 0.00 175.17 174.97 1ba9 s VAL 97 N 1.55 5.21 -0.29 2.11 1.01 0.18 -4.70 120.40 125.47 1ba9 s VAL 97 Ca 0.52 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1ba9 s VAL 97 Cb -0.22 -3.29 0.20 0.00 0.00 0.00 0.00 36.38 33.07 1ba9 s VAL 97 CO 0.24 0.56 0.64 -0.55 0.00 0.00 0.00 175.10 175.98 1ba9 s SER 98 N -1.18 -1.49 0.36 3.32 0.15 -1.25 -1.11 113.70 112.50 1ba9 s SER 98 Ca 0.17 0.26 -0.08 0.00 0.70 0.00 0.00 55.95 57.00 1ba9 s SER 98 Cb -0.12 1.98 0.03 0.00 -1.71 0.00 0.00 66.02 66.19 1ba9 s SER 98 CO 0.06 -0.27 0.61 -0.51 1.20 0.00 0.00 173.24 174.34 1ba9 s ILE 99 N 2.85 0.00 -0.01 6.45 2.07 0.13 -5.01 121.20 127.68 1ba9 s ILE 99 Ca 0.13 -1.34 -0.08 0.00 -1.41 0.00 0.00 60.65 57.95 1ba9 s ILE 99 Cb -0.10 -2.75 0.01 0.00 0.13 0.00 0.00 42.46 39.75 1ba9 s ILE 99 CO -0.25 0.00 0.16 -1.83 -1.91 0.00 0.00 174.94 171.11 1ba9 s GLU 100 N -2.71 0.46 0.07 3.50 -1.05 -1.26 -0.45 118.70 117.27 1ba9 s GLU 100 Ca 0.24 -0.28 0.03 0.00 -0.15 0.00 0.00 54.97 54.81 1ba9 s GLU 100 Cb -0.03 0.20 -0.03 0.00 -0.44 0.00 0.00 34.13 33.83 1ba9 s GLU 100 CO 0.17 -0.11 -0.09 -0.51 0.95 0.00 0.00 175.26 175.67 1ba9 s ASP 101 N -1.17 1.20 -0.12 0.83 1.01 -0.68 -4.96 116.67 112.78 1ba9 s ASP 101 Ca -0.12 -0.72 0.15 0.00 0.71 0.00 0.00 52.55 52.56 1ba9 s ASP 101 Cb -0.06 0.03 0.48 0.00 1.01 0.00 0.00 42.92 44.37 1ba9 s ASP 101 CO 0.02 -0.25 1.40 -0.24 0.21 0.00 0.00 175.17 176.30 1ba9 n SER 102 N 0.89 3.71 0.03 0.27 2.88 -1.26 -0.16 113.62 119.97 1ba9 n SER 102 Ca -0.19 -2.64 -0.01 0.00 -1.33 0.00 0.00 58.87 54.70 1ba9 n SER 102 Cb 0.57 -0.45 -0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1ba9 n SER 102 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1ba9 n VAL 103 N -0.01 1.26 -2.55 2.46 3.14 -1.26 -4.89 118.33 116.48 1ba9 n VAL 103 Ca 0.19 0.37 -0.38 0.00 -2.96 0.00 0.00 64.34 61.55 1ba9 n VAL 103 Cb 0.75 -1.69 -0.04 0.00 -1.06 0.00 0.00 33.84 31.79 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 -2.12 3.70 -0.11 1.55 -5.25 -1.26 -4.61 121.20 113.10 1ba9 s ILE 104 Ca -0.04 1.50 -0.32 0.00 -0.99 0.00 0.00 60.65 60.80 1ba9 s ILE 104 Cb 0.01 -3.87 0.12 0.00 2.95 0.00 0.00 42.46 41.66 1ba9 s ILE 104 CO 0.06 0.20 1.06 -0.44 -1.79 0.00 0.00 174.94 174.03 1ba9 s SER 105 N -1.26 -0.25 -0.03 4.36 0.01 -1.26 -4.45 113.70 110.83 1ba9 s SER 105 Ca 0.50 0.01 0.10 0.00 1.31 0.00 0.00 55.95 57.87 1ba9 s SER 105 Cb -0.26 0.26 0.33 0.00 0.21 0.00 0.00 66.02 66.55 1ba9 s SER 105 CO 0.33 -0.41 1.22 0.00 0.41 0.00 0.00 173.24 174.79 1ba9 n LEU 106 N -0.14 2.18 0.00 2.44 -0.00 -1.26 -0.30 117.00 119.92 1ba9 n LEU 106 Ca -0.04 -1.09 -0.01 0.00 -0.00 0.00 0.00 56.01 54.87 1ba9 n LEU 106 Cb 0.60 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 1ba9 n LEU 106 CO 0.10 0.46 0.15 -1.54 -0.00 0.00 0.00 177.39 176.55 1ba9 n SER 107 N 0.47 -0.35 0.00 1.45 3.41 -1.26 -4.57 113.62 112.77 1ba9 n SER 107 Ca 0.12 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 1ba9 n SER 107 Cb 0.39 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 1ba9 n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ba9 n GLY 108 N -0.13 2.26 2.00 5.00 0.00 -1.12 -3.72 105.19 109.47 1ba9 n GLY 108 Ca -0.01 0.00 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 2.09 0.00 0.00 0.00 173.32 175.41 1ba9 n ASP 109 N 4.25 -2.30 0.00 1.61 5.68 -1.26 -4.95 116.55 119.58 1ba9 n ASP 109 Ca 0.00 0.51 0.01 0.00 -0.50 0.00 0.00 54.79 54.81 1ba9 n ASP 109 Cb 0.00 2.35 0.06 0.00 -1.14 0.00 0.00 41.12 42.39 1ba9 n ASP 109 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1ba9 n HIS 110 N -3.00 0.00 0.00 2.11 8.25 -1.25 -4.90 115.22 116.42 1ba9 n HIS 110 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ba9 n HIS 110 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ba9 n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ba9 n SER 111 N -0.58 0.00 0.11 0.41 2.88 -1.13 -4.53 113.62 110.78 1ba9 n SER 111 Ca 0.02 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.67 1ba9 n SER 111 Cb 0.01 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 63.94 1ba9 n SER 111 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1ba9 n ILE 112 N 0.00 0.82 -1.68 2.46 -5.35 0.59 -4.72 119.36 111.48 1ba9 n ILE 112 Ca 0.00 0.19 -0.43 0.00 -0.27 0.00 0.00 62.75 62.24 1ba9 n ILE 112 Cb 0.00 -1.09 -0.03 0.00 -1.74 0.00 0.00 39.64 36.78 1ba9 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1ba9 s ILE 113 N -3.27 3.08 0.00 7.28 -1.09 -1.26 -0.48 121.20 125.46 1ba9 s ILE 113 Ca 0.05 0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 1ba9 s ILE 113 Cb 0.10 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 1ba9 s ILE 113 CO 0.40 -0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.67 1ba9 n GLY 114 N 5.36 1.70 3.77 6.18 0.00 0.23 -5.00 105.19 117.44 1ba9 n GLY 114 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.10 2.48 -0.49 1.61 0.52 0.36 -3.44 118.95 119.90 1ba9 s ARG 115 Ca 0.00 1.22 -0.14 0.00 -0.52 0.00 0.00 55.73 56.28 1ba9 s ARG 115 Cb 0.00 -1.92 0.09 0.00 0.52 0.00 0.00 34.95 33.64 1ba9 s ARG 115 CO 0.00 -1.48 0.41 0.99 0.02 0.00 0.00 175.30 175.24 1ba9 s THR 116 N -2.75 5.04 0.01 0.02 2.01 -1.24 -0.44 115.64 118.30 1ba9 s THR 116 Ca 0.63 -1.29 -0.24 0.00 0.31 0.00 0.00 61.69 61.10 1ba9 s THR 116 Cb -0.18 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 1ba9 s THR 116 CO 0.51 -0.68 0.71 -0.22 -0.69 0.00 0.00 174.62 174.26 1ba9 s LEU 117 N 1.58 4.41 0.04 4.42 2.96 0.11 -0.17 118.68 132.04 1ba9 s LEU 117 Ca 0.04 1.33 -0.04 0.00 -0.22 0.00 0.00 54.13 55.24 1ba9 s LEU 117 Cb -0.26 -3.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.28 1ba9 s LEU 117 CO 0.04 0.01 0.05 0.68 -1.32 0.00 0.00 176.35 175.82 1ba9 s VAL 118 N 0.08 0.16 0.55 1.68 -7.23 0.25 -0.11 120.40 115.78 1ba9 s VAL 118 Ca 0.37 -1.28 0.05 0.00 -1.81 0.00 0.00 61.98 59.31 1ba9 s VAL 118 Cb -0.19 -1.04 0.05 0.00 0.56 0.00 0.00 36.38 35.76 1ba9 s VAL 118 CO 0.21 -0.71 0.43 1.33 -0.31 0.00 0.00 175.10 176.05 1ba9 n VAL 119 N 0.60 0.00 -4.20 1.32 0.24 -0.59 -1.28 118.33 114.43 1ba9 n VAL 119 Ca -0.18 -2.16 -0.12 0.00 -2.04 0.00 0.00 64.34 59.84 1ba9 n VAL 119 Cb 0.59 -0.05 -0.10 0.00 -1.47 0.00 0.00 33.84 32.81 1ba9 n VAL 119 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1ba9 s HIS 120 N -2.72 1.02 -0.00 6.34 3.76 0.13 -3.63 115.29 120.18 1ba9 s HIS 120 Ca 0.33 -0.97 -0.04 0.00 -0.15 0.00 0.00 55.06 54.23 1ba9 s HIS 120 Cb -0.03 -0.58 -0.02 0.00 1.11 0.00 0.00 32.58 33.06 1ba9 s HIS 120 CO 0.21 -0.19 0.62 1.49 -0.85 0.00 0.00 174.74 176.02 1ba9 h GLU 121 N 2.85 -0.14 -7.82 1.40 4.81 -0.36 -3.32 114.58 112.00 1ba9 h GLU 121 Ca -0.36 0.01 -0.44 0.00 -0.13 0.00 0.00 59.36 58.44 1ba9 h GLU 121 Cb 1.18 0.03 0.18 0.00 0.63 0.00 0.00 28.75 30.77 1ba9 h GLU 121 CO 0.64 -0.09 0.40 0.15 -0.73 0.00 0.00 179.01 179.38 1ba9 s LYS 122 N -2.48 0.28 0.59 1.92 -0.14 0.11 -4.68 119.74 115.34 1ba9 s LYS 122 Ca -0.02 -0.46 -0.17 0.00 -1.36 0.00 0.00 55.97 53.96 1ba9 s LYS 122 Cb 0.00 -1.81 -0.03 0.00 -1.68 0.00 0.00 37.83 34.31 1ba9 s LYS 122 CO 0.06 -2.65 1.10 0.00 -0.76 0.00 0.00 175.35 173.10 1ba9 s ALA 123 N -3.86 2.63 0.16 5.17 0.00 -1.25 -1.91 121.76 122.69 1ba9 s ALA 123 Ca 0.75 0.61 -0.31 0.00 0.00 0.00 0.00 51.96 53.02 1ba9 s ALA 123 Cb -0.03 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 1ba9 s ALA 123 CO 0.54 -0.94 1.34 0.34 0.00 0.00 0.00 175.76 177.04 1ba9 s ASP 124 N -2.31 6.87 0.00 0.00 -1.08 -1.26 -3.91 116.67 114.98 1ba9 s ASP 124 Ca 0.68 2.35 0.15 0.00 -0.52 0.00 0.00 52.55 55.21 1ba9 s ASP 124 Cb -0.20 -2.60 0.88 0.00 -1.46 0.00 0.00 42.92 39.53 1ba9 s ASP 124 CO 0.34 -0.58 1.40 -0.67 0.52 0.00 0.00 175.17 176.18 1ba9 n ASP 125 N 3.26 0.00 -4.07 -0.34 -0.08 0.80 -4.87 116.55 111.25 1ba9 n ASP 125 Ca 0.09 -1.08 -0.34 0.00 -1.51 0.00 0.00 54.79 51.95 1ba9 n ASP 125 Cb 0.43 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.88 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1ba9 n LEU 126 N -0.80 -1.94 -1.63 -2.67 7.99 -1.26 -1.58 117.00 115.12 1ba9 n LEU 126 Ca 0.11 -0.89 -0.18 0.00 -0.01 0.00 0.00 56.01 55.04 1ba9 n LEU 126 Cb 0.05 -2.23 -0.07 0.00 -0.11 0.00 0.00 43.42 41.07 1ba9 n LEU 126 CO 0.08 0.33 -0.18 0.61 -1.51 0.00 0.00 177.39 176.73 1ba9 n GLY 127 N -1.46 1.43 0.17 -0.72 0.00 -1.26 -4.61 105.19 98.75 1ba9 n GLY 127 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ba9 n LYS 128 N -2.27 1.04 0.04 1.61 2.85 -0.61 -4.55 118.16 116.27 1ba9 n LYS 128 Ca -0.18 -2.30 0.11 0.00 -1.05 0.00 0.00 58.31 54.88 1ba9 n LYS 128 Cb 0.60 -1.31 0.45 0.00 -0.65 0.00 0.00 35.03 34.11 1ba9 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ba9 n GLY 129 N -1.16 -1.30 2.08 2.58 0.00 -1.26 -4.91 105.19 101.22 1ba9 n GLY 129 Ca 0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 0.61 0.28 3.31 -0.02 0.00 -1.26 -4.99 105.19 103.11 1ba9 n GLY 130 Ca 0.04 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.86 -0.48 0.00 1.61 2.47 -1.26 -5.03 114.94 109.40 1ba9 s ASN 131 Ca 0.04 0.88 -0.01 0.00 0.42 0.00 0.00 52.86 54.20 1ba9 s ASN 131 Cb -0.02 0.84 -0.00 0.00 -1.45 0.00 0.00 41.25 40.62 1ba9 s ASN 131 CO 0.06 -0.17 0.48 -0.62 -3.72 0.00 0.00 177.10 173.13 1ba9 n GLU 132 N 3.40 -0.01 0.00 0.43 1.02 -1.26 0.28 120.64 124.51 1ba9 n GLU 132 Ca -0.17 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1ba9 n GLU 132 Cb 0.56 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 1ba9 n GLU 132 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1ba9 n GLN 133 N -2.60 0.00 -0.13 3.49 0.00 -1.26 -0.44 117.38 116.45 1ba9 n GLN 133 Ca 0.00 0.46 0.08 0.00 -0.00 0.00 0.00 57.00 57.54 1ba9 n GLN 133 Cb 0.01 -0.97 0.15 0.00 0.00 0.00 0.00 30.24 29.42 1ba9 n GLN 133 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1ba9 n SER 134 N -0.93 0.01 -0.62 1.69 7.64 -0.71 0.45 113.62 121.14 1ba9 n SER 134 Ca 0.00 0.66 0.09 0.00 1.01 0.00 0.00 58.87 60.62 1ba9 n SER 134 Cb 0.00 -0.26 0.29 0.00 -1.01 0.00 0.00 64.21 63.23 1ba9 n SER 134 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ba9 n THR 135 N -4.23 0.32 0.02 0.44 -2.24 0.14 -2.24 114.28 106.50 1ba9 n THR 135 Ca 0.11 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1ba9 n THR 135 Cb 0.36 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.46 0.00 -0.01 -0.78 4.81 0.85 -1.01 118.16 122.48 1ba9 n LYS 136 Ca 0.15 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.69 1ba9 n LYS 136 Cb 0.33 -0.34 -0.15 0.00 0.02 0.00 0.00 35.03 34.89 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 -2.99 0.00 -0.86 3.15 -2.24 0.17 -4.62 114.28 106.89 1ba9 n THR 137 Ca 0.00 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1ba9 n THR 137 Cb 0.27 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 1.38 0.71 2.22 3.38 0.00 -0.95 -4.12 105.19 107.81 1ba9 n GLY 138 Ca -0.03 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.16 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 1.29 -4.18 0.00 1.61 5.15 -1.25 -0.14 115.26 117.73 1ba9 n ASN 139 Ca 0.00 0.39 0.06 0.00 -0.60 0.00 0.00 54.58 54.43 1ba9 n ASN 139 Cb 0.11 -3.81 0.36 0.00 -0.53 0.00 0.00 39.78 35.90 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 0.76 2.56 -0.47 5.20 0.00 -1.25 -4.78 120.51 122.51 1ba9 n ALA 140 Ca -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1ba9 n ALA 140 Cb 0.52 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1ba9 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 141 N 0.67 -0.94 3.58 0.00 0.00 -1.26 0.06 105.19 107.31 1ba9 n GLY 141 Ca 0.09 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 1ba9 n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ba9 s SER 142 N -4.00 1.38 -0.54 1.61 0.15 -1.26 -4.54 113.70 106.49 1ba9 s SER 142 Ca 0.00 0.97 -0.17 0.00 0.70 0.00 0.00 55.95 57.46 1ba9 s SER 142 Cb 0.00 -1.47 0.12 0.00 -1.71 0.00 0.00 66.02 62.95 1ba9 s SER 142 CO 0.00 -3.88 0.53 0.00 1.20 0.00 0.00 173.24 171.09 1ba9 s ARG 143 N -5.08 3.00 0.34 5.44 1.04 -1.26 -0.96 118.95 121.47 1ba9 s ARG 143 Ca 0.68 -1.56 0.11 0.00 -1.04 0.00 0.00 55.73 53.92 1ba9 s ARG 143 Cb -0.16 -4.27 0.88 0.00 -2.04 0.00 0.00 34.95 29.37 1ba9 s ARG 143 CO 0.58 -1.33 1.78 -0.07 -0.04 0.00 0.00 175.30 176.22 1ba9 h LEU 144 N 9.12 0.65 -7.57 -1.89 -0.00 -1.84 -3.43 115.31 110.35 1ba9 h LEU 144 Ca -0.30 0.09 -0.08 0.00 -0.00 0.00 0.00 57.88 57.60 1ba9 h LEU 144 Cb 1.10 -0.02 -0.15 0.00 -0.00 0.00 0.00 40.66 41.59 1ba9 h LEU 144 CO 1.03 0.20 -0.23 0.00 -0.00 0.00 0.00 178.44 179.44 1ba9 s ALA 145 N -5.71 -0.64 0.04 1.53 0.00 -1.26 -3.89 121.76 111.83 1ba9 s ALA 145 Ca -0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 1ba9 s ALA 145 Cb 0.25 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 1ba9 s ALA 145 CO 0.80 -0.50 -0.03 0.00 0.00 0.00 0.00 175.76 176.03 1ba9 s GLY 147 N -2.50 -0.46 -0.04 0.00 0.00 0.84 -0.46 107.32 104.70 1ba9 s GLY 147 Ca 0.01 1.29 -0.11 0.00 0.00 0.00 0.00 44.72 45.90 1ba9 s GLY 147 CO -0.07 0.64 0.30 0.14 0.00 0.00 0.00 173.10 174.11 1ba9 s VAL 148 N -2.22 5.23 -0.13 1.40 1.01 -1.26 0.04 120.40 124.46 1ba9 s VAL 148 Ca -0.01 0.53 -0.18 0.00 0.00 0.00 0.00 61.98 62.32 1ba9 s VAL 148 Cb -0.01 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1ba9 s VAL 148 CO -0.02 0.55 0.47 -0.63 0.00 0.00 0.00 175.10 175.47 1ba9 s ILE 149 N -1.10 5.19 0.36 2.22 1.01 0.42 -3.94 121.20 125.35 1ba9 s ILE 149 Ca 0.22 0.94 -0.04 0.00 0.00 0.00 0.00 60.65 61.77 1ba9 s ILE 149 Cb -0.15 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.53 1ba9 s ILE 149 CO 0.11 0.32 0.54 -0.83 0.00 0.00 0.00 174.94 175.07 1ba9 s GLY 150 N 0.66 1.40 0.34 6.18 0.00 -0.20 -0.60 107.32 115.10 1ba9 s GLY 150 Ca 0.25 -1.45 -0.28 0.00 0.00 0.00 0.00 44.72 43.24 1ba9 s GLY 150 CO 0.10 -0.91 1.28 -0.42 0.00 0.00 0.00 173.10 173.15 1ba9 s ILE 151 N -2.80 2.79 0.68 0.90 1.09 -1.26 -0.32 121.20 122.28 1ba9 s ILE 151 Ca 0.29 0.78 -0.08 0.00 -1.10 0.00 0.00 60.65 60.54 1ba9 s ILE 151 Cb -0.01 -3.49 0.04 0.00 -1.06 0.00 0.00 42.46 37.93 1ba9 s ILE 151 CO 0.20 0.18 1.02 0.00 -0.10 0.00 0.00 174.94 176.23 1ba9 s ALA 152 N -1.17 3.09 -2.00 9.38 0.00 0.11 -4.60 121.76 126.57 1ba9 s ALA 152 Ca 0.50 -0.70 0.29 0.00 0.00 0.00 0.00 51.96 52.04 1ba9 s ALA 152 Cb -0.39 -2.73 1.73 0.00 0.00 0.00 0.00 23.12 21.73 1ba9 s ALA 152 CO 0.51 -1.16 2.06 0.94 0.00 0.00 0.00 175.76 178.12