#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 0.74 -3.64 0.00 -1.04 -1.26 -5.01 114.28 104.07 1ba9 n THR 2 Ca 0.00 -3.68 -0.31 0.00 -2.04 0.00 0.00 64.05 58.02 1ba9 n THR 2 Cb 0.00 0.24 -0.05 0.00 -1.82 0.00 0.00 70.33 68.71 1ba9 n THR 2 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1ba9 s LYS 3 N -2.93 3.63 0.53 -2.82 -2.85 -1.26 -4.54 119.74 109.50 1ba9 s LYS 3 Ca 0.33 -0.07 -0.04 0.00 -1.00 0.00 0.00 55.97 55.19 1ba9 s LYS 3 Cb 0.42 -2.82 -0.00 0.00 -2.06 0.00 0.00 37.83 33.36 1ba9 s LYS 3 CO -0.01 0.44 0.81 0.00 0.10 0.00 0.00 175.35 176.69 1ba9 s ALA 4 N -1.70 3.45 0.04 0.59 0.00 0.30 -0.88 121.76 123.56 1ba9 s ALA 4 Ca 0.42 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.65 1ba9 s ALA 4 Cb -0.12 -2.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 1ba9 s ALA 4 CO 0.25 -0.60 -0.13 0.54 0.00 0.00 0.00 175.76 175.82 1ba9 s VAL 5 N -2.82 0.98 -0.18 0.00 0.11 0.70 -0.72 120.40 118.48 1ba9 s VAL 5 Ca 0.51 -0.96 -0.02 0.00 -2.93 0.00 0.00 61.98 58.58 1ba9 s VAL 5 Cb -0.10 -0.91 0.06 0.00 -1.53 0.00 0.00 36.38 33.90 1ba9 s VAL 5 CO 0.43 -0.05 0.03 0.00 -3.33 0.00 0.00 175.10 172.18 1ba9 s ALA 6 N -0.88 1.03 -0.78 1.54 0.00 0.13 -1.14 121.76 121.66 1ba9 s ALA 6 Ca -0.00 -0.67 -0.24 0.00 0.00 0.00 0.00 51.96 51.04 1ba9 s ALA 6 Cb -0.08 -1.15 0.05 0.00 0.00 0.00 0.00 23.12 21.95 1ba9 s ALA 6 CO 0.01 -1.09 1.21 0.14 0.00 0.00 0.00 175.76 176.03 1ba9 s VAL 7 N 1.84 4.01 0.36 0.00 -7.23 -1.26 -0.71 120.40 117.41 1ba9 s VAL 7 Ca -0.00 -0.17 -0.28 0.00 -1.81 0.00 0.00 61.98 59.71 1ba9 s VAL 7 Cb -0.17 -4.87 -0.10 0.00 0.56 0.00 0.00 36.38 31.80 1ba9 s VAL 7 CO -0.08 -1.73 1.40 -0.76 -0.31 0.00 0.00 175.10 173.62 1ba9 s LEU 8 N 4.89 4.35 0.01 1.32 1.02 0.93 -4.45 118.68 126.74 1ba9 s LEU 8 Ca 0.33 2.87 -0.04 0.00 0.02 0.00 0.00 54.13 57.31 1ba9 s LEU 8 Cb -0.09 -3.69 -0.01 0.00 0.02 0.00 0.00 46.19 42.43 1ba9 s LEU 8 CO 0.07 -0.74 0.06 -0.75 0.02 0.00 0.00 176.35 175.01 1ba9 s LYS 9 N -1.99 0.39 0.02 1.70 2.47 -0.72 -1.19 119.74 120.42 1ba9 s LYS 9 Ca 0.52 -0.47 0.00 0.00 -1.56 0.00 0.00 55.97 54.46 1ba9 s LYS 9 Cb -0.43 0.16 -0.00 0.00 -1.46 0.00 0.00 37.83 36.10 1ba9 s LYS 9 CO 0.58 -0.08 0.00 0.41 0.16 0.00 0.00 175.35 176.42 1ba9 n GLY 10 N 1.58 4.15 0.27 5.54 0.00 0.08 -0.87 105.19 115.95 1ba9 n GLY 10 Ca -0.23 -2.15 -0.01 0.00 0.00 0.00 0.00 46.02 43.63 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 0.05 0.64 -1.93 1.61 3.58 -1.88 -3.45 116.42 115.05 1ba9 h ASP 11 Ca -0.02 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1ba9 h ASP 11 Cb 0.05 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1ba9 h ASP 11 CO 0.03 0.42 0.00 0.61 -2.88 0.00 0.00 179.24 177.41 1ba9 n GLY 12 N -1.30 1.40 0.00 -0.78 0.00 -1.26 -4.97 105.19 98.28 1ba9 n GLY 12 Ca 0.09 -1.97 0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.15 0.64 -1.52 1.61 -0.04 -1.26 -4.78 135.00 129.49 1ba9 n PRO 13 Ca 0.00 0.02 -0.54 0.00 -0.04 0.00 0.00 63.50 62.94 1ba9 n PRO 13 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 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 -1.12 0.23 -3.77 0.52 0.31 -1.26 -4.66 118.33 108.58 1ba9 n VAL 14 Ca 0.17 -0.15 -0.12 0.00 -0.01 0.00 0.00 64.34 64.23 1ba9 n VAL 14 Cb 0.14 -1.38 -0.08 0.00 -0.91 0.00 0.00 33.84 31.61 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 5.20 0.77 -0.26 5.55 -2.07 -0.96 -0.74 119.66 127.16 1ba9 s GLN 15 Ca 1.06 -0.46 -0.12 0.00 -1.82 0.00 0.00 55.36 54.02 1ba9 s GLN 15 Cb -1.00 0.33 0.09 0.00 -1.09 0.00 0.00 33.01 31.34 1ba9 s GLN 15 CO 0.57 -0.24 0.60 0.20 -1.32 0.00 0.00 175.29 175.10 1ba9 s GLY 16 N -1.93 -0.58 -0.92 2.60 0.00 -0.33 0.52 107.32 106.68 1ba9 s GLY 16 Ca -0.07 2.15 -0.19 0.00 0.00 0.00 0.00 44.72 46.61 1ba9 s GLY 16 CO -0.02 2.46 1.13 -0.42 0.00 0.00 0.00 173.10 176.25 1ba9 s ILE 17 N 2.05 4.67 0.60 0.90 1.09 -1.16 -0.05 121.20 129.29 1ba9 s ILE 17 Ca -0.08 -1.48 -0.14 0.00 -1.10 0.00 0.00 60.65 57.85 1ba9 s ILE 17 Cb -0.08 -4.79 -0.04 0.00 -1.06 0.00 0.00 42.46 36.49 1ba9 s ILE 17 CO -0.18 -1.52 1.03 -0.63 -0.10 0.00 0.00 174.94 173.53 1ba9 s ILE 18 N 2.86 4.38 -0.10 2.92 -1.09 0.11 -3.59 121.20 126.68 1ba9 s ILE 18 Ca 0.33 0.94 -0.08 0.00 -2.23 0.00 0.00 60.65 59.61 1ba9 s ILE 18 Cb -0.05 -3.65 0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1ba9 s ILE 18 CO -0.09 -0.84 0.26 0.20 -1.23 0.00 0.00 174.94 173.24 1ba9 s ASN 19 N -3.52 -0.27 -0.33 3.58 0.01 0.17 -0.69 114.94 113.88 1ba9 s ASN 19 Ca 0.58 0.53 0.03 0.00 -0.71 0.00 0.00 52.86 53.29 1ba9 s ASN 19 Cb -0.12 0.50 0.10 0.00 0.41 0.00 0.00 41.25 42.13 1ba9 s ASN 19 CO 0.44 -0.11 0.05 -0.36 -1.51 0.00 0.00 177.10 175.61 1ba9 s PHE 20 N 0.51 3.28 0.58 2.20 0.40 0.11 -0.59 117.98 124.46 1ba9 s PHE 20 Ca -0.03 -2.69 -0.14 0.00 -0.60 0.00 0.00 56.93 53.47 1ba9 s PHE 20 Cb -0.05 -2.61 -0.05 0.00 0.51 0.00 0.00 43.02 40.82 1ba9 s PHE 20 CO -0.03 -0.93 1.02 -1.21 0.70 0.00 0.00 175.22 174.77 1ba9 s GLU 21 N 1.07 3.65 0.18 0.44 0.41 0.32 -0.54 118.70 124.22 1ba9 s GLU 21 Ca 0.10 0.91 0.00 0.00 -0.41 0.00 0.00 54.97 55.57 1ba9 s GLU 21 Cb -0.19 -2.09 0.00 0.00 -1.78 0.00 0.00 34.13 30.07 1ba9 s GLU 21 CO -0.12 -0.53 0.00 0.94 -0.49 0.00 0.00 175.26 175.07 1ba9 n GLN 22 N -2.22 0.00 0.00 1.61 7.27 -1.26 -0.85 117.38 121.93 1ba9 n GLN 22 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1ba9 n GLN 22 Cb 0.54 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.19 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1ba9 n LYS 23 N -3.00 0.00 -3.36 3.69 5.02 -1.26 -4.70 118.16 114.54 1ba9 n LYS 23 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1ba9 n LYS 23 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1ba9 n LYS 23 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ba9 s GLU 24 N 0.00 3.73 0.43 1.97 8.01 -1.26 -4.96 118.70 126.62 1ba9 s GLU 24 Ca 0.00 -0.20 0.29 0.00 0.01 0.00 0.00 54.97 55.07 1ba9 s GLU 24 Cb 0.00 -3.75 1.41 0.00 -4.31 0.00 0.00 34.13 27.48 1ba9 s GLU 24 CO 0.00 -0.47 1.62 0.77 0.01 0.00 0.00 175.26 177.19 1ba9 h SER 25 N 8.36 0.26 -0.68 -0.19 0.02 -2.00 0.20 113.55 119.52 1ba9 h SER 25 Ca -0.30 0.15 -0.49 0.00 -0.84 0.00 0.00 61.79 60.31 1ba9 h SER 25 Cb 1.15 0.14 -0.41 0.00 0.14 0.00 0.00 62.40 63.41 1ba9 h SER 25 CO 0.69 -0.21 -0.85 -3.20 -1.14 0.00 0.00 176.83 172.13 1ba9 n ASN 26 N -4.75 4.38 -4.57 3.07 2.85 -1.26 -4.85 115.26 110.12 1ba9 n ASN 26 Ca 0.37 -3.53 -0.28 0.00 -0.11 0.00 0.00 54.58 51.04 1ba9 n ASN 26 Cb 1.41 -0.36 -0.10 0.00 1.24 0.00 0.00 39.78 41.97 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 -3.61 2.56 0.24 8.20 0.00 0.72 -5.11 107.32 110.32 1ba9 s GLY 27 Ca 0.47 -1.66 -0.30 0.00 0.00 0.00 0.00 44.72 43.23 1ba9 s GLY 27 CO 0.03 -2.04 1.47 2.56 0.00 0.00 0.00 173.10 175.11 1ba9 s PRO 28 N -3.79 4.25 0.32 2.90 0.04 -1.26 -4.84 135.00 132.62 1ba9 s PRO 28 Ca 0.27 2.32 -0.22 0.00 0.04 0.00 0.00 61.00 63.41 1ba9 s PRO 28 Cb 0.07 -3.11 -0.10 0.00 0.04 0.00 0.00 34.50 31.40 1ba9 s PRO 28 CO 0.13 -0.46 0.87 0.08 0.04 0.00 0.00 177.00 177.66 1ba9 s VAL 29 N 0.19 4.39 -0.39 -0.36 1.01 0.52 -4.61 120.40 121.14 1ba9 s VAL 29 Ca 0.61 1.53 -0.06 0.00 0.00 0.00 0.00 61.98 64.06 1ba9 s VAL 29 Cb -0.42 -3.85 0.08 0.00 0.00 0.00 0.00 36.38 32.19 1ba9 s VAL 29 CO 0.41 0.03 0.19 -0.75 0.00 0.00 0.00 175.10 174.99 1ba9 s LYS 30 N -2.36 2.40 -0.05 2.72 2.36 -0.03 -1.81 119.74 122.97 1ba9 s LYS 30 Ca 0.51 -1.51 -0.22 0.00 -2.55 0.00 0.00 55.97 52.19 1ba9 s LYS 30 Cb -0.15 -3.61 -0.04 0.00 -1.05 0.00 0.00 37.83 32.98 1ba9 s LYS 30 CO 0.20 -0.91 0.66 0.08 1.55 0.00 0.00 175.35 176.93 1ba9 s VAL 31 N 1.31 5.02 0.03 4.02 1.01 0.81 -0.52 120.40 132.07 1ba9 s VAL 31 Ca 0.03 1.37 -0.28 0.00 0.00 0.00 0.00 61.98 63.10 1ba9 s VAL 31 Cb -0.22 -4.00 0.07 0.00 0.00 0.00 0.00 36.38 32.23 1ba9 s VAL 31 CO -0.00 0.30 0.65 -1.66 0.00 0.00 0.00 175.10 174.38 1ba9 s TRP 32 N 0.54 -0.61 0.07 5.22 -2.14 0.24 -0.54 118.94 121.73 1ba9 s TRP 32 Ca 0.35 0.82 -0.17 0.00 2.66 0.00 0.00 56.10 59.76 1ba9 s TRP 32 Cb -0.18 0.46 0.06 0.00 -3.10 0.00 0.00 33.47 30.71 1ba9 s TRP 32 CO 0.17 -0.70 0.79 0.41 -2.66 0.00 0.00 176.95 174.97 1ba9 n GLY 33 N 0.42 0.61 3.15 3.67 0.00 -0.32 0.42 105.19 113.15 1ba9 n GLY 33 Ca -0.18 -1.04 0.04 0.00 0.00 0.00 0.00 46.02 44.84 1ba9 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ba9 s SER 34 N -2.82 -1.53 0.87 1.61 1.04 -1.24 -0.41 113.70 111.22 1ba9 s SER 34 Ca 0.18 0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.73 1ba9 s SER 34 Cb -0.01 1.99 0.11 0.00 0.10 0.00 0.00 66.02 68.21 1ba9 s SER 34 CO 0.02 -0.28 1.11 -0.51 0.98 0.00 0.00 173.24 174.56 1ba9 s ILE 35 N 2.84 2.53 -0.41 -1.02 1.10 -0.93 -3.01 121.20 122.31 1ba9 s ILE 35 Ca 0.12 0.17 0.05 0.00 -0.51 0.00 0.00 60.65 60.48 1ba9 s ILE 35 Cb -0.10 -2.85 0.17 0.00 0.15 0.00 0.00 42.46 39.83 1ba9 s ILE 35 CO -0.25 -0.22 0.49 -0.75 -2.11 0.00 0.00 174.94 172.09 1ba9 s LYS 36 N -5.15 0.79 0.00 3.50 2.36 0.18 -3.85 119.74 117.57 1ba9 s LYS 36 Ca 0.63 -0.89 0.00 0.00 -2.55 0.00 0.00 55.97 53.16 1ba9 s LYS 36 Cb -0.15 -0.49 0.00 0.00 -1.05 0.00 0.00 37.83 36.13 1ba9 s LYS 36 CO 0.55 -1.24 0.00 0.41 1.55 0.00 0.00 175.35 176.62 1ba9 n GLY 37 N 3.92 -0.42 0.00 5.54 0.00 -0.38 -2.26 105.19 111.59 1ba9 n GLY 37 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.31 -4.61 117.00 113.91 1ba9 n LEU 38 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 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 -0.30 -0.30 0.28 -1.22 0.00 0.00 177.39 175.85 1ba9 s THR 39 N -0.18 0.15 0.48 -5.08 -1.32 -1.26 -4.27 115.64 104.16 1ba9 s THR 39 Ca 0.00 -1.81 -0.23 0.00 -1.21 0.00 0.00 61.69 58.45 1ba9 s THR 39 Cb 0.00 -1.79 -0.09 0.00 -1.51 0.00 0.00 72.50 69.12 1ba9 s THR 39 CO 0.00 -0.68 1.03 -1.84 -2.21 0.00 0.00 174.62 170.91 1ba9 n GLU 40 N -0.01 1.29 0.00 7.08 0.28 -1.17 -4.53 120.64 123.58 1ba9 n GLU 40 Ca -0.09 0.47 0.00 0.00 -0.16 0.00 0.00 57.16 57.38 1ba9 n GLU 40 Cb 0.62 -2.13 0.00 0.00 1.43 0.00 0.00 31.44 31.36 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 1.17 0.36 3.11 -1.84 0.00 -1.10 -4.92 105.19 101.96 1ba9 n GLY 41 Ca 0.10 -2.14 -0.19 0.00 0.00 0.00 0.00 46.02 43.79 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 2.14 -0.04 0.99 2.34 -1.26 -0.32 118.68 122.54 1ba9 s LEU 42 Ca 0.00 -0.40 0.02 0.00 0.06 0.00 0.00 54.13 53.81 1ba9 s LEU 42 Cb 0.00 -0.55 0.01 0.00 -0.56 0.00 0.00 46.19 45.09 1ba9 s LEU 42 CO 0.00 0.03 -0.09 -1.00 -1.06 0.00 0.00 176.35 174.24 1ba9 s HIS 43 N -0.76 1.00 -0.25 3.48 3.76 0.38 -2.17 115.29 120.73 1ba9 s HIS 43 Ca 0.01 -0.28 -0.29 0.00 -0.15 0.00 0.00 55.06 54.35 1ba9 s HIS 43 Cb -0.07 -0.74 -0.02 0.00 1.11 0.00 0.00 32.58 32.86 1ba9 s HIS 43 CO 0.01 -0.15 1.47 0.20 -0.85 0.00 0.00 174.74 175.42 1ba9 s GLY 44 N 0.41 1.32 -0.20 -2.22 0.00 -0.46 -0.43 107.32 105.73 1ba9 s GLY 44 Ca -0.07 0.33 -0.02 0.00 0.00 0.00 0.00 44.72 44.96 1ba9 s GLY 44 CO 0.01 2.81 -0.09 -0.12 0.00 0.00 0.00 173.10 175.71 1ba9 s PHE 45 N 4.75 2.90 0.12 1.90 2.19 0.36 -2.92 117.98 127.27 1ba9 s PHE 45 Ca 0.64 -1.08 -0.09 0.00 0.33 0.00 0.00 56.93 56.73 1ba9 s PHE 45 Cb -0.22 -2.03 -0.00 0.00 -1.31 0.00 0.00 43.02 39.46 1ba9 s PHE 45 CO 0.26 -0.58 0.24 -1.01 1.83 0.00 0.00 175.22 175.96 1ba9 s HIS 46 N 1.32 0.25 -0.74 10.12 3.76 0.08 -2.95 115.29 127.12 1ba9 s HIS 46 Ca 0.04 -0.65 -0.19 0.00 -0.15 0.00 0.00 55.06 54.11 1ba9 s HIS 46 Cb -0.14 -0.05 0.12 0.00 1.11 0.00 0.00 32.58 33.62 1ba9 s HIS 46 CO -0.05 -0.62 0.91 0.08 -0.85 0.00 0.00 174.74 174.21 1ba9 s VAL 47 N -3.91 4.76 0.42 -0.90 1.01 -0.55 -1.08 120.40 120.16 1ba9 s VAL 47 Ca 0.10 -1.20 -0.25 0.00 0.00 0.00 0.00 61.98 60.64 1ba9 s VAL 47 Cb 0.04 -4.63 -0.08 0.00 0.00 0.00 0.00 36.38 31.71 1ba9 s VAL 47 CO -0.06 -1.32 1.18 -1.00 0.00 0.00 0.00 175.10 173.90 1ba9 s HIS 48 N 2.73 2.99 1.08 5.22 3.76 0.15 -0.12 115.29 131.09 1ba9 s HIS 48 Ca 0.21 1.54 -0.18 0.00 -0.15 0.00 0.00 55.06 56.48 1ba9 s HIS 48 Cb -0.15 -3.41 0.26 0.00 1.11 0.00 0.00 32.58 30.39 1ba9 s HIS 48 CO 0.00 -1.43 1.26 -0.85 -0.85 0.00 0.00 174.74 172.87 1ba9 n GLU 49 N -0.10 -1.97 0.00 1.40 0.28 -0.67 -2.79 120.64 116.78 1ba9 n GLU 49 Ca 0.05 -1.97 0.00 0.00 -0.16 0.00 0.00 57.16 55.08 1ba9 n GLU 49 Cb 0.47 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.86 1ba9 n GLU 49 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1ba9 n GLU 50 N -4.21 0.00 0.00 3.44 1.02 -1.26 -4.71 120.64 114.92 1ba9 n GLU 50 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1ba9 n GLU 50 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 1ba9 n GLU 50 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ba9 n GLU 51 N 0.00 0.00 -1.54 3.49 2.13 -1.26 -4.90 120.64 118.56 1ba9 n GLU 51 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 1ba9 n GLU 51 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 1ba9 n GLU 51 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1ba9 n ASP 52 N 2.87 2.03 -3.38 4.31 5.75 -1.26 -4.69 116.55 122.17 1ba9 n ASP 52 Ca 0.00 -0.39 -0.39 0.00 -0.01 0.00 0.00 54.79 53.99 1ba9 n ASP 52 Cb 0.00 -1.49 -0.02 0.00 -1.03 0.00 0.00 41.12 38.59 1ba9 n ASP 52 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1ba9 n ASN 53 N 15.05 8.35 -0.35 -1.12 5.03 -1.26 -4.69 115.26 136.27 1ba9 n ASN 53 Ca 0.41 -2.89 -0.03 0.00 0.87 0.00 0.00 54.58 52.95 1ba9 n ASN 53 Cb 0.47 -1.45 0.09 0.00 -1.02 0.00 0.00 39.78 37.87 1ba9 n ASN 53 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1ba9 h THR 54 N 2.76 1.25 0.00 3.41 1.35 -1.89 0.10 112.91 119.89 1ba9 h THR 54 Ca 0.78 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 1ba9 h THR 54 Cb 0.31 -0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.64 1ba9 h THR 54 CO 1.60 0.25 0.13 0.00 -0.25 0.00 0.00 175.52 177.25 1ba9 h ALA 55 N 1.32 1.12 0.00 6.62 0.00 -1.86 -3.46 119.26 123.01 1ba9 h ALA 55 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1ba9 h ALA 55 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ba9 h ALA 55 CO -0.07 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.47 1ba9 n GLY 56 N -1.18 0.70 3.76 0.00 0.00 0.35 -4.86 105.19 103.96 1ba9 n GLY 56 Ca -0.02 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 1ba9 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba9 s THR 58 N -3.29 -0.69 -0.59 0.00 -1.32 -1.26 -4.87 115.64 103.62 1ba9 s THR 58 Ca 0.30 -0.40 -0.26 0.00 -1.21 0.00 0.00 61.69 60.11 1ba9 s THR 58 Cb -0.13 0.00 -0.06 0.00 -1.51 0.00 0.00 72.50 70.80 1ba9 s THR 58 CO 0.89 0.00 2.19 -0.44 -2.21 0.00 0.00 174.62 175.05 1ba9 s SER 59 N 1.32 4.72 0.19 8.08 0.01 -1.26 -4.77 113.70 121.99 1ba9 s SER 59 Ca 0.22 0.61 -0.16 0.00 1.31 0.00 0.00 55.95 57.94 1ba9 s SER 59 Cb 0.02 -2.52 0.17 0.00 0.21 0.00 0.00 66.02 63.91 1ba9 s SER 59 CO -0.08 -2.79 1.63 0.00 0.41 0.00 0.00 173.24 172.41 1ba9 h ALA 60 N 16.83 0.29 -2.67 1.44 0.00 -1.93 -3.43 119.26 129.79 1ba9 h ALA 60 Ca -0.20 0.20 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1ba9 h ALA 60 Cb 1.19 0.46 0.14 0.00 0.00 0.00 0.00 17.79 19.59 1ba9 h ALA 60 CO 1.17 -0.47 0.26 0.41 0.00 0.00 0.00 179.25 180.62 1ba9 n GLY 61 N -1.40 0.00 0.40 0.00 0.00 -1.26 -4.99 105.19 97.95 1ba9 n GLY 61 Ca 0.05 0.05 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 1ba9 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ba9 n PRO 62 N -0.35 -1.22 -2.03 1.61 -0.04 -1.26 -4.37 135.00 127.34 1ba9 n PRO 62 Ca 0.10 -0.20 -0.42 0.00 -0.04 0.00 0.00 63.50 62.94 1ba9 n PRO 62 Cb 0.42 -0.19 -0.03 0.00 -0.04 0.00 0.00 33.50 33.67 1ba9 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ba9 s HIS 63 N -1.23 2.50 -0.40 0.54 3.76 -1.26 -1.68 115.29 117.52 1ba9 s HIS 63 Ca 0.08 0.46 -0.45 0.00 -0.15 0.00 0.00 55.06 55.00 1ba9 s HIS 63 Cb -0.01 -3.86 -0.19 0.00 1.11 0.00 0.00 32.58 29.63 1ba9 s HIS 63 CO 0.06 -3.42 1.56 0.34 -0.85 0.00 0.00 174.74 172.44 1ba9 n PHE 64 N 5.72 1.68 -2.45 1.40 7.35 0.83 -4.64 117.46 127.35 1ba9 n PHE 64 Ca 0.15 1.04 -0.41 0.00 -0.76 0.00 0.00 57.45 57.47 1ba9 n PHE 64 Cb 0.42 -2.25 -0.04 0.00 0.35 0.00 0.00 39.48 37.96 1ba9 n PHE 64 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1ba9 s ASN 65 N 2.72 7.22 -0.08 -2.13 -0.87 -1.26 -0.30 114.94 120.24 1ba9 s ASN 65 Ca 1.02 2.25 -0.03 0.00 -1.57 0.00 0.00 52.86 54.53 1ba9 s ASN 65 Cb -1.40 -2.62 -0.01 0.00 -0.02 0.00 0.00 41.25 37.20 1ba9 s ASN 65 CO 0.76 -0.21 -0.05 1.55 -2.57 0.00 0.00 177.10 176.58 1ba9 h PRO 66 N 4.30 0.00 -0.11 -0.60 0.13 -1.90 -3.42 132.00 130.39 1ba9 h PRO 66 Ca -0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 1ba9 h PRO 66 Cb 1.21 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.16 1ba9 h PRO 66 CO 0.69 0.00 -0.73 1.28 -0.23 0.00 0.00 178.00 179.01 1ba9 n LEU 67 N -3.86 2.41 -2.40 1.56 4.32 -1.26 -5.02 117.00 112.75 1ba9 n LEU 67 Ca -0.02 -3.41 -0.03 0.00 -0.02 0.00 0.00 56.01 52.53 1ba9 n LEU 67 Cb 0.08 -0.29 0.00 0.00 -1.62 0.00 0.00 43.42 41.59 1ba9 n LEU 67 CO 0.03 1.21 -0.17 -0.24 -1.22 0.00 0.00 177.39 177.00 1ba9 n SER 68 N -0.58 -6.25 -4.21 -1.43 2.88 -1.26 -5.10 113.62 97.68 1ba9 n SER 68 Ca 0.17 0.72 -0.12 0.00 -1.33 0.00 0.00 58.87 58.32 1ba9 n SER 68 Cb 0.86 -4.10 -0.10 0.00 -0.75 0.00 0.00 64.21 60.12 1ba9 n SER 68 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ba9 s ARG 69 N -1.61 1.03 0.92 -1.46 0.52 -1.26 -5.16 118.95 111.93 1ba9 s ARG 69 Ca 0.08 -1.49 -0.15 0.00 -0.52 0.00 0.00 55.73 53.66 1ba9 s ARG 69 Cb -0.02 -0.10 0.18 0.00 0.52 0.00 0.00 34.95 35.53 1ba9 s ARG 69 CO 0.55 -0.17 1.28 0.15 0.02 0.00 0.00 175.30 177.14 1ba9 s LYS 70 N -3.95 0.92 0.68 3.54 1.02 -1.26 -4.73 119.74 115.95 1ba9 s LYS 70 Ca 0.23 -0.35 -0.16 0.00 0.02 0.00 0.00 55.97 55.71 1ba9 s LYS 70 Cb 0.07 -1.89 0.01 0.00 -0.52 0.00 0.00 37.83 35.50 1ba9 s LYS 70 CO 0.03 -2.23 1.16 -1.58 -0.92 0.00 0.00 175.35 171.81 1ba9 s HIS 71 N -3.80 2.35 0.00 3.18 5.65 0.23 -2.12 115.29 120.77 1ba9 s HIS 71 Ca 0.72 1.57 0.00 0.00 0.25 0.00 0.00 55.06 57.60 1ba9 s HIS 71 Cb -0.05 -3.34 0.00 0.00 -1.18 0.00 0.00 32.58 28.01 1ba9 s HIS 71 CO 0.52 -2.14 0.00 0.41 -0.65 0.00 0.00 174.74 172.88 1ba9 n GLY 72 N 0.03 0.90 3.80 1.59 0.00 -1.23 -4.19 105.19 106.08 1ba9 n GLY 72 Ca 0.12 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.54 2.01 0.40 -0.02 0.00 -1.20 -4.61 107.32 103.35 1ba9 s GLY 73 Ca 0.00 -1.84 0.28 0.00 0.00 0.00 0.00 44.72 43.15 1ba9 s GLY 73 CO 0.00 -1.72 1.84 -0.56 0.00 0.00 0.00 173.10 172.66 1ba9 h PRO 74 N 1.31 0.00 -0.27 2.90 0.13 -1.90 -1.16 132.00 133.02 1ba9 h PRO 74 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1ba9 h PRO 74 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ba9 h PRO 74 CO 0.61 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.01 1ba9 n LYS 75 N -2.48 2.79 -3.69 0.86 4.76 -1.26 -5.06 118.16 114.09 1ba9 n LYS 75 Ca -0.01 -1.90 -0.20 0.00 -2.87 0.00 0.00 58.31 53.32 1ba9 n LYS 75 Cb 0.10 -1.21 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 1ba9 n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ba9 s ASP 76 N -0.99 5.49 0.29 4.39 1.11 -0.44 -5.03 116.67 121.49 1ba9 s ASP 76 Ca 0.18 -0.41 0.05 0.00 0.18 0.00 0.00 52.55 52.55 1ba9 s ASP 76 Cb 0.10 -1.03 0.43 0.00 1.07 0.00 0.00 42.92 43.48 1ba9 s ASP 76 CO 0.13 -0.40 1.70 1.05 1.18 0.00 0.00 175.17 178.83 1ba9 h GLU 77 N 1.12 0.32 -6.21 8.23 4.11 -1.97 -3.42 114.58 116.77 1ba9 h GLU 77 Ca -0.45 -0.15 -0.68 0.00 0.07 0.00 0.00 59.36 58.16 1ba9 h GLU 77 Cb 1.26 -0.01 -0.18 0.00 0.50 0.00 0.00 28.75 30.32 1ba9 h GLU 77 CO 0.56 0.65 -0.70 -1.21 0.07 0.00 0.00 179.01 178.39 1ba9 s GLU 78 N -4.24 2.67 0.00 1.06 2.02 -1.26 -5.07 118.70 113.88 1ba9 s GLU 78 Ca -0.05 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.32 1ba9 s GLU 78 Cb 0.13 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.81 1ba9 s GLU 78 CO 0.78 0.64 0.00 2.89 0.02 0.00 0.00 175.26 179.59 1ba9 n ARG 79 N 1.92 0.00 -0.46 1.61 1.85 -0.90 -3.25 116.66 117.42 1ba9 n ARG 79 Ca -0.17 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.41 1ba9 n ARG 79 Cb 0.53 0.00 0.25 0.00 -1.05 0.00 0.00 32.46 32.19 1ba9 n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1ba9 n HIS 80 N 0.00 -3.69 0.15 2.89 8.25 -1.22 -4.86 115.22 116.74 1ba9 n HIS 80 Ca 0.00 -0.79 -0.13 0.00 -0.26 0.00 0.00 57.72 56.54 1ba9 n HIS 80 Cb 0.00 -1.08 -0.08 0.00 1.12 0.00 0.00 29.99 29.95 1ba9 n HIS 80 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1ba9 h VAL 81 N -3.17 0.74 -1.38 1.59 3.04 -0.92 -3.21 116.25 112.93 1ba9 h VAL 81 Ca -0.36 -0.58 -0.69 0.00 -1.01 0.00 0.00 66.70 64.06 1ba9 h VAL 81 Cb 1.17 1.04 -0.27 0.00 -2.01 0.00 0.00 31.29 31.21 1ba9 h VAL 81 CO 0.22 0.12 0.92 0.61 -1.01 0.00 0.00 177.57 178.43 1ba9 n GLY 82 N -0.36 5.60 3.02 3.17 0.00 -1.23 -4.81 105.19 110.58 1ba9 n GLY 82 Ca -0.09 -2.31 -0.43 0.00 0.00 0.00 0.00 46.02 43.18 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 -0.64 5.56 -2.23 1.61 -0.08 -1.21 -1.48 116.55 118.08 1ba9 n ASP 83 Ca 0.57 -3.18 -0.20 0.00 -1.51 0.00 0.00 54.79 50.47 1ba9 n ASP 83 Cb 0.48 -1.42 -0.09 0.00 2.34 0.00 0.00 41.12 42.43 1ba9 n ASP 83 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1ba9 n LEU 84 N 3.20 5.98 0.00 -2.67 4.77 -1.15 -3.75 117.00 123.37 1ba9 n LEU 84 Ca 0.34 -3.62 0.00 0.00 -0.03 0.00 0.00 56.01 52.70 1ba9 n LEU 84 Cb 0.36 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1ba9 n LEU 84 CO 0.74 1.65 0.00 0.61 -1.33 0.00 0.00 177.39 179.06 1ba9 n GLY 85 N 1.45 0.94 3.22 -0.72 0.00 -1.26 -4.47 105.19 104.35 1ba9 n GLY 85 Ca 0.43 0.16 -0.17 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.82 1.85 0.30 1.61 6.03 -1.26 -0.49 114.94 121.16 1ba9 s ASN 86 Ca 0.00 -0.80 0.08 0.00 -1.03 0.00 0.00 52.86 51.11 1ba9 s ASN 86 Cb 0.00 -0.05 -0.04 0.00 -3.03 0.00 0.00 41.25 38.13 1ba9 s ASN 86 CO 0.00 -0.17 0.13 0.68 -2.03 0.00 0.00 177.10 175.71 1ba9 s VAL 87 N -2.16 3.55 -0.23 3.54 -7.23 0.42 -4.85 120.40 113.44 1ba9 s VAL 87 Ca 0.07 -1.65 -0.05 0.00 -1.81 0.00 0.00 61.98 58.55 1ba9 s VAL 87 Cb -0.05 -3.06 -0.01 0.00 0.56 0.00 0.00 36.38 33.82 1ba9 s VAL 87 CO 0.02 -0.28 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.63 1ba9 s THR 88 N -2.31 3.56 0.18 5.32 2.01 -1.26 -0.47 115.64 122.67 1ba9 s THR 88 Ca 0.35 -0.46 -0.16 0.00 0.31 0.00 0.00 61.69 61.73 1ba9 s THR 88 Cb -0.05 -2.65 -0.07 0.00 0.01 0.00 0.00 72.50 69.73 1ba9 s THR 88 CO 0.23 0.38 0.62 0.00 -0.69 0.00 0.00 174.62 175.16 1ba9 s ALA 89 N 1.50 3.51 0.97 7.40 0.00 0.57 -4.23 121.76 131.48 1ba9 s ALA 89 Ca 0.06 -0.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.83 1ba9 s ALA 89 Cb -0.15 -2.63 0.19 0.00 0.00 0.00 0.00 23.12 20.53 1ba9 s ALA 89 CO -0.02 0.41 1.26 0.34 0.00 0.00 0.00 175.76 177.75 1ba9 s ASP 90 N -1.75 3.05 0.65 0.00 -1.08 0.55 -2.71 116.67 115.39 1ba9 s ASP 90 Ca 0.41 0.45 0.37 0.00 -0.52 0.00 0.00 52.55 53.26 1ba9 s ASP 90 Cb -0.15 -0.63 2.04 0.00 -1.46 0.00 0.00 42.92 42.72 1ba9 s ASP 90 CO 0.20 -2.79 2.20 0.07 0.52 0.00 0.00 175.17 175.37 1ba9 h LYS 91 N -1.67 0.00 -0.01 4.34 -0.00 -1.93 0.11 116.57 117.41 1ba9 h LYS 91 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.20 1ba9 h LYS 91 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.49 1ba9 h LYS 91 CO 0.44 0.00 -0.19 -3.47 -0.00 0.00 0.00 179.45 176.23 1ba9 n ASP 92 N -3.23 1.17 -1.24 7.07 2.03 -1.26 -4.71 116.55 116.38 1ba9 n ASP 92 Ca -0.02 -1.07 -0.08 0.00 0.52 0.00 0.00 54.79 54.15 1ba9 n ASP 92 Cb 0.20 0.10 0.01 0.00 -0.72 0.00 0.00 41.12 40.71 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 1.30 0.25 3.27 0.27 0.00 0.37 -4.68 105.19 105.97 1ba9 n GLY 93 Ca 0.14 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.76 2.96 -0.42 1.61 1.01 -1.26 -0.53 120.40 121.02 1ba9 s VAL 94 Ca 0.11 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 1ba9 s VAL 94 Cb -0.05 -2.31 0.09 0.00 0.00 0.00 0.00 36.38 34.12 1ba9 s VAL 94 CO 0.13 0.47 0.24 0.00 0.00 0.00 0.00 175.10 175.95 1ba9 s ALA 95 N 1.22 3.24 -0.61 5.51 0.00 -1.25 -0.33 121.76 129.55 1ba9 s ALA 95 Ca 0.02 -2.27 -0.26 0.00 0.00 0.00 0.00 51.96 49.45 1ba9 s ALA 95 Cb -0.14 -2.57 0.04 0.00 0.00 0.00 0.00 23.12 20.45 1ba9 s ALA 95 CO -0.04 -1.70 1.11 -0.51 0.00 0.00 0.00 175.76 174.62 1ba9 s ASP 96 N 2.08 6.34 0.20 0.00 1.01 -1.26 -2.18 116.67 122.86 1ba9 s ASP 96 Ca 0.04 -0.23 -0.23 0.00 0.71 0.00 0.00 52.55 52.83 1ba9 s ASP 96 Cb -0.23 -2.51 -0.08 0.00 1.01 0.00 0.00 42.92 41.11 1ba9 s ASP 96 CO -0.00 -1.46 0.77 -0.69 0.21 0.00 0.00 175.17 174.00 1ba9 s VAL 97 N 4.69 4.42 -0.29 -1.27 1.01 0.45 -4.89 120.40 124.52 1ba9 s VAL 97 Ca 0.36 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1ba9 s VAL 97 Cb -0.10 -4.04 0.18 0.00 0.00 0.00 0.00 36.38 32.43 1ba9 s VAL 97 CO 0.20 0.39 0.57 -0.55 0.00 0.00 0.00 175.10 175.71 1ba9 s SER 98 N -1.35 -1.20 0.32 3.32 0.15 -1.25 -1.17 113.70 112.52 1ba9 s SER 98 Ca 0.39 0.65 -0.03 0.00 0.70 0.00 0.00 55.95 57.66 1ba9 s SER 98 Cb -0.21 2.00 -0.00 0.00 -1.71 0.00 0.00 66.02 66.10 1ba9 s SER 98 CO 0.24 -0.27 0.44 -0.51 1.20 0.00 0.00 173.24 174.33 1ba9 s ILE 99 N 2.81 0.00 -0.05 6.45 2.07 0.30 -5.00 121.20 127.78 1ba9 s ILE 99 Ca 0.18 -1.64 -0.09 0.00 -1.41 0.00 0.00 60.65 57.70 1ba9 s ILE 99 Cb -0.14 -2.57 0.02 0.00 0.13 0.00 0.00 42.46 39.89 1ba9 s ILE 99 CO -0.22 0.00 0.21 -1.83 -1.91 0.00 0.00 174.94 171.20 1ba9 s GLU 100 N -3.27 0.39 0.00 3.50 1.03 -1.26 -0.14 118.70 118.96 1ba9 s GLU 100 Ca 0.31 0.03 -0.12 0.00 0.03 0.00 0.00 54.97 55.21 1ba9 s GLU 100 Cb 0.00 0.17 0.02 0.00 -0.80 0.00 0.00 34.13 33.52 1ba9 s GLU 100 CO 0.19 -0.08 0.26 -0.51 -1.33 0.00 0.00 175.26 173.79 1ba9 s ASP 101 N -0.54 -0.11 -0.02 0.83 1.01 -0.75 -4.97 116.67 112.12 1ba9 s ASP 101 Ca -0.06 -0.06 0.20 0.00 0.71 0.00 0.00 52.55 53.33 1ba9 s ASP 101 Cb -0.04 0.29 -0.27 0.00 1.01 0.00 0.00 42.92 43.91 1ba9 s ASP 101 CO 0.01 -0.46 0.62 -1.54 0.21 0.00 0.00 175.17 174.01 1ba9 n SER 102 N 1.17 0.61 0.03 0.27 3.41 -1.26 -0.36 113.62 117.49 1ba9 n SER 102 Ca -0.21 -0.43 -0.11 0.00 -0.26 0.00 0.00 58.87 57.86 1ba9 n SER 102 Cb 0.57 1.52 0.01 0.00 -0.26 0.00 0.00 64.21 66.05 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 1.34 -2.90 -3.33 3.04 -1.96 -3.44 116.25 109.00 1ba9 h VAL 103 Ca 0.00 -2.03 -0.50 0.00 -1.01 0.00 0.00 66.70 63.16 1ba9 h VAL 103 Cb 0.72 2.01 -0.00 0.00 -2.01 0.00 0.00 31.29 32.01 1ba9 h VAL 103 CO 0.00 0.62 -0.21 0.27 -1.01 0.00 0.00 177.57 177.25 1ba9 s ILE 104 N -3.73 5.10 0.15 3.17 -5.25 -1.26 -4.72 121.20 114.67 1ba9 s ILE 104 Ca -0.07 -0.32 -0.04 0.00 -0.99 0.00 0.00 60.65 59.22 1ba9 s ILE 104 Cb 0.10 -3.81 0.02 0.00 2.95 0.00 0.00 42.46 41.72 1ba9 s ILE 104 CO 0.85 -0.43 0.28 -1.20 -1.79 0.00 0.00 174.94 172.65 1ba9 n SER 105 N -1.38 -0.80 -1.50 4.36 7.64 0.05 -4.63 113.62 117.35 1ba9 n SER 105 Ca -0.04 -1.68 0.08 0.00 1.01 0.00 0.00 58.87 58.24 1ba9 n SER 105 Cb 0.55 1.38 0.33 0.00 -1.01 0.00 0.00 64.21 65.45 1ba9 n SER 105 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ba9 n LEU 106 N 0.00 4.43 0.00 -3.43 4.32 -1.26 -0.47 117.00 120.59 1ba9 n LEU 106 Ca -0.02 -2.24 0.00 0.00 -0.02 0.00 0.00 56.01 53.73 1ba9 n LEU 106 Cb 0.24 -0.57 0.00 0.00 -1.62 0.00 0.00 43.42 41.47 1ba9 n LEU 106 CO 0.11 0.70 0.00 -1.54 -1.22 0.00 0.00 177.39 175.44 1ba9 n SER 107 N 0.90 0.00 0.00 -1.43 3.41 -1.26 -4.79 113.62 110.45 1ba9 n SER 107 Ca 0.23 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1ba9 n SER 107 Cb 0.85 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 1ba9 n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ba9 n GLY 108 N 0.00 2.11 1.96 5.00 0.00 -1.26 -3.44 105.19 109.56 1ba9 n GLY 108 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ba9 n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ba9 n ASP 109 N 3.90 -3.39 -2.85 1.61 -0.08 -1.26 -4.97 116.55 109.51 1ba9 n ASP 109 Ca 0.00 0.77 -0.23 0.00 -1.51 0.00 0.00 54.79 53.82 1ba9 n ASP 109 Cb 0.00 3.24 -0.06 0.00 2.34 0.00 0.00 41.12 46.64 1ba9 n ASP 109 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1ba9 n HIS 110 N -3.29 1.22 -1.88 -0.67 8.25 -1.24 -4.89 115.22 112.72 1ba9 n HIS 110 Ca 0.00 -2.04 -0.43 0.00 -0.26 0.00 0.00 57.72 54.99 1ba9 n HIS 110 Cb 0.00 -1.81 -0.03 0.00 1.12 0.00 0.00 29.99 29.27 1ba9 n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ba9 s SER 111 N 2.61 5.80 0.53 0.41 0.15 -1.22 -0.77 113.70 121.20 1ba9 s SER 111 Ca 0.53 1.52 0.32 0.00 0.70 0.00 0.00 55.95 59.02 1ba9 s SER 111 Cb 0.18 -2.52 1.22 0.00 -1.71 0.00 0.00 66.02 63.19 1ba9 s SER 111 CO -0.03 -1.75 1.93 0.16 1.20 0.00 0.00 173.24 174.75 1ba9 h ILE 112 N 6.86 0.05 -2.25 6.45 -2.65 -1.09 -3.43 117.51 121.46 1ba9 h ILE 112 Ca -0.36 -0.62 -0.55 0.00 1.03 0.00 0.00 64.86 64.36 1ba9 h ILE 112 Cb 1.19 1.59 0.02 0.00 -2.05 0.00 0.00 36.82 37.56 1ba9 h ILE 112 CO 1.01 0.02 1.25 -0.38 0.03 0.00 0.00 178.15 180.08 1ba9 n ILE 113 N -3.12 0.69 -1.57 0.16 2.08 -1.26 -1.38 119.36 114.97 1ba9 n ILE 113 Ca 0.01 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.15 1ba9 n ILE 113 Cb 0.34 -2.28 0.00 0.00 -0.75 0.00 0.00 39.64 36.95 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 4.70 0.95 3.36 7.39 0.00 -0.77 -5.04 105.19 115.78 1ba9 n GLY 114 Ca 0.22 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.24 1.38 -0.28 1.61 1.81 -0.48 -4.66 118.95 115.10 1ba9 s ARG 115 Ca 0.00 -1.66 -0.10 0.00 -1.72 0.00 0.00 55.73 52.25 1ba9 s ARG 115 Cb 0.00 -1.00 -0.03 0.00 -0.45 0.00 0.00 34.95 33.47 1ba9 s ARG 115 CO 0.00 0.07 0.16 0.99 -0.68 0.00 0.00 175.30 175.84 1ba9 s THR 116 N -3.10 4.90 0.08 0.02 2.01 -1.12 -1.32 115.64 117.11 1ba9 s THR 116 Ca 0.25 -0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.97 1ba9 s THR 116 Cb 0.02 -3.37 -0.07 0.00 0.01 0.00 0.00 72.50 69.09 1ba9 s THR 116 CO 0.08 0.21 0.61 -0.22 -0.69 0.00 0.00 174.62 174.62 1ba9 s LEU 117 N 1.69 4.53 0.00 4.42 2.96 0.73 0.32 118.68 133.32 1ba9 s LEU 117 Ca 0.06 1.32 0.02 0.00 -0.22 0.00 0.00 54.13 55.31 1ba9 s LEU 117 Cb -0.16 -2.98 -0.01 0.00 0.50 0.00 0.00 46.19 43.55 1ba9 s LEU 117 CO 0.08 0.24 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.60 1ba9 s VAL 118 N -0.99 0.43 -0.10 1.68 1.01 -0.24 -1.68 120.40 120.51 1ba9 s VAL 118 Ca 0.31 -0.32 0.22 0.00 0.00 0.00 0.00 61.98 62.18 1ba9 s VAL 118 Cb -0.20 -0.38 -0.33 0.00 0.00 0.00 0.00 36.38 35.47 1ba9 s VAL 118 CO 0.20 0.06 0.51 0.55 0.00 0.00 0.00 175.10 176.42 1ba9 n VAL 119 N 2.79 0.00 -1.48 2.92 3.14 -1.21 -0.75 118.33 123.74 1ba9 n VAL 119 Ca -0.14 -0.46 0.18 0.00 -2.96 0.00 0.00 64.34 60.96 1ba9 n VAL 119 Cb 0.58 0.08 -0.10 0.00 -1.06 0.00 0.00 33.84 33.34 1ba9 n VAL 119 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1ba9 n HIS 120 N -2.20 -3.97 0.06 1.45 8.25 -1.15 -2.16 115.22 115.51 1ba9 n HIS 120 Ca -0.03 2.20 -0.12 0.00 -0.26 0.00 0.00 57.72 59.51 1ba9 n HIS 120 Cb 0.55 -3.62 -0.08 0.00 1.12 0.00 0.00 29.99 27.96 1ba9 n HIS 120 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1ba9 h GLU 121 N -1.47 -0.21 0.00 -0.41 4.81 -0.56 -3.39 114.58 113.36 1ba9 h GLU 121 Ca -0.21 0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 58.76 1ba9 h GLU 121 Cb 1.42 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.83 1ba9 h GLU 121 CO 0.08 0.22 -0.10 1.63 -0.73 0.00 0.00 179.01 180.11 1ba9 n LYS 122 N -4.95 0.97 -0.69 1.92 4.76 -1.22 -4.91 118.16 114.03 1ba9 n LYS 122 Ca -0.08 -1.67 -0.30 0.00 -2.87 0.00 0.00 58.31 53.39 1ba9 n LYS 122 Cb 0.27 0.06 0.20 0.00 -1.84 0.00 0.00 35.03 33.72 1ba9 n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ba9 s ALA 123 N -2.38 0.67 -0.21 7.82 0.00 -0.92 -1.36 121.76 125.38 1ba9 s ALA 123 Ca 0.22 0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.31 1ba9 s ALA 123 Cb -0.02 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1ba9 s ALA 123 CO 0.14 -3.16 0.09 0.16 0.00 0.00 0.00 175.76 172.99 1ba9 s ASP 124 N -2.70 5.72 -0.11 0.00 1.47 -1.26 -3.65 116.67 116.14 1ba9 s ASP 124 Ca 0.67 0.06 0.02 0.00 1.18 0.00 0.00 52.55 54.48 1ba9 s ASP 124 Cb -0.23 -2.00 0.21 0.00 -0.34 0.00 0.00 42.92 40.56 1ba9 s ASP 124 CO 0.61 0.12 1.14 0.47 0.68 0.00 0.00 175.17 178.18 1ba9 n ASP 125 N 3.91 2.95 -4.26 2.11 8.00 0.61 -4.78 116.55 125.09 1ba9 n ASP 125 Ca -0.16 -2.41 -0.36 0.00 0.71 0.00 0.00 54.79 52.57 1ba9 n ASP 125 Cb 0.52 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ba9 n LEU 126 N 0.07 -1.54 0.00 0.64 4.77 -1.26 -0.61 117.00 119.06 1ba9 n LEU 126 Ca 0.15 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 1ba9 n LEU 126 Cb 0.74 -1.97 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 1ba9 n LEU 126 CO 0.15 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1ba9 n GLY 127 N -1.52 0.36 0.34 -0.72 0.00 -1.26 -4.39 105.19 98.00 1ba9 n GLY 127 Ca -0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.19 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 0.93 0.00 -0.19 1.61 1.79 -1.18 0.40 116.57 119.93 1ba9 h LYS 128 Ca 0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 1ba9 h LYS 128 Cb 0.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1ba9 h LYS 128 CO 0.00 0.00 -0.25 0.78 -1.08 0.00 0.00 179.45 178.90 1ba9 h GLY 129 N 0.00 0.39 -5.30 3.86 0.00 -1.90 -3.48 103.07 96.64 1ba9 h GLY 129 Ca 0.09 -0.30 -0.19 0.00 0.00 0.00 0.00 47.33 46.93 1ba9 h GLY 129 CO -0.00 0.28 -0.64 0.61 0.00 0.00 0.00 176.54 176.79 1ba9 n GLY 130 N -0.48 -1.09 2.66 4.60 0.00 0.13 -5.00 105.19 106.01 1ba9 n GLY 130 Ca -0.01 0.52 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 1ba9 n GLY 130 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ba9 n ASN 131 N -2.84 -1.07 0.00 1.61 6.94 -1.26 -4.95 115.26 113.69 1ba9 n ASN 131 Ca -0.05 -2.78 0.00 0.00 -0.02 0.00 0.00 54.58 51.72 1ba9 n ASN 131 Cb 0.59 0.74 0.00 0.00 -2.36 0.00 0.00 39.78 38.75 1ba9 n ASN 131 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1ba9 n GLU 132 N -0.24 0.00 0.27 -3.83 1.02 -1.26 -3.72 120.64 112.87 1ba9 n GLU 132 Ca 0.03 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.28 1ba9 n GLU 132 Cb 0.80 0.00 0.72 0.00 -0.02 0.00 0.00 31.44 32.95 1ba9 n GLU 132 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1ba9 h GLN 133 N 0.00 0.00 0.10 3.49 -0.00 -1.96 0.60 115.11 117.34 1ba9 h GLN 133 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1ba9 h GLN 133 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1ba9 h GLN 133 CO 0.00 0.03 -0.05 0.77 -0.00 0.00 0.00 178.83 179.58 1ba9 h SER 134 N 0.00 -0.12 0.46 0.06 0.02 -1.89 0.53 113.55 112.61 1ba9 h SER 134 Ca -0.00 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1ba9 h SER 134 Cb 0.07 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1ba9 h SER 134 CO 0.00 0.36 0.00 0.35 -1.14 0.00 0.00 176.83 176.41 1ba9 n THR 135 N -4.93 0.94 -0.13 -2.27 -2.24 0.04 -0.47 114.28 105.23 1ba9 n THR 135 Ca -0.09 0.40 -0.24 0.00 -2.27 0.00 0.00 64.05 61.86 1ba9 n THR 135 Cb 0.26 -1.35 -0.11 0.00 -2.10 0.00 0.00 70.33 67.03 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 -2.19 0.62 0.00 -0.78 4.81 0.19 -0.61 118.16 120.21 1ba9 n LYS 136 Ca 0.01 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1ba9 n LYS 136 Cb 0.16 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 33.68 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 -3.80 0.00 0.00 3.15 -2.24 0.18 -4.23 114.28 107.34 1ba9 n THR 137 Ca -0.49 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1ba9 n THR 137 Cb 0.93 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 3.03 1.77 3.41 3.38 0.00 0.39 -4.56 105.19 112.60 1ba9 n GLY 138 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.14 1.61 5.15 -1.21 -0.28 115.26 120.39 1ba9 n ASN 139 Ca 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.94 1ba9 n ASN 139 Cb 0.00 -0.20 0.05 0.00 -0.53 0.00 0.00 39.78 39.10 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 0.53 0.00 5.20 0.00 -1.80 -3.49 119.26 119.70 1ba9 h ALA 140 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ba9 h ALA 140 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ba9 h ALA 140 CO 0.00 -0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.42 1ba9 n GLY 141 N -1.25 -0.16 3.46 0.00 0.00 -1.26 -3.41 105.19 102.56 1ba9 n GLY 141 Ca 0.04 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 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 0.00 -1.48 -4.34 1.61 7.64 -1.26 -4.51 113.62 111.28 1ba9 n SER 142 Ca 0.00 0.07 -0.46 0.00 1.01 0.00 0.00 58.87 59.49 1ba9 n SER 142 Cb 0.00 -1.23 -0.03 0.00 -1.01 0.00 0.00 64.21 61.94 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 -4.09 3.36 0.19 1.43 0.52 -1.26 0.11 118.95 119.21 1ba9 s ARG 143 Ca 0.63 -2.06 -0.14 0.00 -0.52 0.00 0.00 55.73 53.64 1ba9 s ARG 143 Cb -0.21 -4.41 0.18 0.00 0.52 0.00 0.00 34.95 31.03 1ba9 s ARG 143 CO 0.64 -1.37 1.67 -0.07 0.02 0.00 0.00 175.30 176.19 1ba9 h LEU 144 N 8.57 -0.31 -8.01 2.53 -0.00 -1.93 -3.44 115.31 112.71 1ba9 h LEU 144 Ca -0.06 0.13 -0.11 0.00 -0.00 0.00 0.00 57.88 57.85 1ba9 h LEU 144 Cb 1.06 0.25 -0.15 0.00 -0.00 0.00 0.00 40.66 41.82 1ba9 h LEU 144 CO 0.91 -0.11 -0.53 0.00 -0.00 0.00 0.00 178.44 178.70 1ba9 s ALA 145 N -6.19 0.13 -0.12 1.53 0.00 -1.26 -3.67 121.76 112.17 1ba9 s ALA 145 Ca -0.14 -0.87 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 1ba9 s ALA 145 Cb 0.16 0.35 0.05 0.00 0.00 0.00 0.00 23.12 23.68 1ba9 s ALA 145 CO 0.72 -0.41 0.49 0.00 0.00 0.00 0.00 175.76 176.56 1ba9 s GLY 147 N -0.40 -0.53 -0.03 0.00 0.00 -0.68 -1.75 107.32 103.93 1ba9 s GLY 147 Ca -0.05 1.16 -0.07 0.00 0.00 0.00 0.00 44.72 45.76 1ba9 s GLY 147 CO 0.03 0.68 0.22 0.14 0.00 0.00 0.00 173.10 174.18 1ba9 s VAL 148 N -2.10 5.37 -0.22 1.40 1.01 -1.26 -0.19 120.40 124.40 1ba9 s VAL 148 Ca -0.05 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 1ba9 s VAL 148 Cb -0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1ba9 s VAL 148 CO 0.00 0.45 0.27 -0.63 0.00 0.00 0.00 175.10 175.19 1ba9 s ILE 149 N -1.21 5.29 0.13 2.22 1.01 -0.44 -4.10 121.20 124.10 1ba9 s ILE 149 Ca 0.23 0.43 -0.02 0.00 0.00 0.00 0.00 60.65 61.30 1ba9 s ILE 149 Cb -0.13 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1ba9 s ILE 149 CO 0.13 0.31 0.07 -0.83 0.00 0.00 0.00 174.94 174.62 1ba9 s GLY 150 N 1.01 0.88 0.32 6.18 0.00 -0.30 -1.85 107.32 113.56 1ba9 s GLY 150 Ca 0.13 -1.38 -0.29 0.00 0.00 0.00 0.00 44.72 43.18 1ba9 s GLY 150 CO 0.06 -1.30 1.50 -0.42 0.00 0.00 0.00 173.10 172.93 1ba9 s ILE 151 N -4.03 2.23 0.22 0.90 1.09 -1.26 -0.21 121.20 120.14 1ba9 s ILE 151 Ca 0.22 0.21 0.01 0.00 -1.10 0.00 0.00 60.65 59.98 1ba9 s ILE 151 Cb 0.07 -3.13 0.04 0.00 -1.06 0.00 0.00 42.46 38.38 1ba9 s ILE 151 CO 0.00 0.04 0.31 0.00 -0.10 0.00 0.00 174.94 175.19 1ba9 n ALA 152 N 1.41 0.14 1.89 9.38 0.00 -0.06 -4.65 120.51 128.62 1ba9 n ALA 152 Ca 0.04 -0.64 0.15 0.00 0.00 0.00 0.00 53.44 52.99 1ba9 n ALA 152 Cb 0.39 0.12 0.90 0.00 0.00 0.00 0.00 19.45 20.86 1ba9 n ALA 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54