#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 3.76 -3.17 0.00 5.66 -1.25 -4.43 114.28 114.84 1ba9 n THR 2 Ca 0.00 -2.21 -0.08 0.00 -3.05 0.00 0.00 64.05 58.71 1ba9 n THR 2 Cb 0.00 -2.44 -0.03 0.00 -1.55 0.00 0.00 70.33 66.30 1ba9 n THR 2 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1ba9 s LYS 3 N 2.30 0.83 0.16 1.09 3.01 -1.25 -4.61 119.74 121.28 1ba9 s LYS 3 Ca 0.63 -0.78 0.08 0.00 -1.01 0.00 0.00 55.97 54.88 1ba9 s LYS 3 Cb 0.18 -0.31 -0.04 0.00 -1.01 0.00 0.00 37.83 36.64 1ba9 s LYS 3 CO -0.05 -1.24 -0.08 0.00 0.51 0.00 0.00 175.35 174.49 1ba9 s ALA 4 N 1.35 2.98 0.04 5.17 0.00 -0.28 -0.66 121.76 130.36 1ba9 s ALA 4 Ca 0.21 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 50.79 1ba9 s ALA 4 Cb -0.06 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1ba9 s ALA 4 CO -0.06 0.51 -0.08 0.54 0.00 0.00 0.00 175.76 176.67 1ba9 s VAL 5 N -1.58 0.59 -0.17 0.00 0.11 0.54 -0.56 120.40 119.32 1ba9 s VAL 5 Ca 0.24 -1.03 -0.01 0.00 -2.93 0.00 0.00 61.98 58.25 1ba9 s VAL 5 Cb -0.09 -0.63 0.05 0.00 -1.53 0.00 0.00 36.38 34.17 1ba9 s VAL 5 CO 0.15 -0.32 -0.02 0.00 -3.33 0.00 0.00 175.10 171.57 1ba9 s ALA 6 N -1.27 1.30 -0.66 1.54 0.00 -0.01 -0.69 121.76 121.99 1ba9 s ALA 6 Ca -0.08 -0.76 -0.23 0.00 0.00 0.00 0.00 51.96 50.89 1ba9 s ALA 6 Cb -0.09 -1.12 0.07 0.00 0.00 0.00 0.00 23.12 21.97 1ba9 s ALA 6 CO 0.01 -0.88 0.98 0.14 0.00 0.00 0.00 175.76 176.00 1ba9 s VAL 7 N 1.71 4.30 0.22 0.00 -7.23 -1.25 -0.71 120.40 117.44 1ba9 s VAL 7 Ca 0.00 -0.29 -0.30 0.00 -1.81 0.00 0.00 61.98 59.58 1ba9 s VAL 7 Cb -0.16 -4.69 -0.09 0.00 0.56 0.00 0.00 36.38 32.00 1ba9 s VAL 7 CO -0.07 -1.46 1.36 -0.76 -0.31 0.00 0.00 175.10 173.86 1ba9 s LEU 8 N 4.13 4.40 0.05 1.32 1.02 0.85 -4.34 118.68 126.12 1ba9 s LEU 8 Ca 0.23 2.51 0.07 0.00 0.02 0.00 0.00 54.13 56.96 1ba9 s LEU 8 Cb -0.16 -3.61 -0.03 0.00 0.02 0.00 0.00 46.19 42.41 1ba9 s LEU 8 CO 0.11 -0.60 -0.20 -1.59 0.02 0.00 0.00 176.35 174.09 1ba9 s LYS 9 N -0.19 1.32 0.05 1.70 -2.85 0.00 -0.89 119.74 118.88 1ba9 s LYS 9 Ca 0.58 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 1ba9 s LYS 9 Cb -0.39 -1.44 -0.00 0.00 -2.06 0.00 0.00 37.83 33.95 1ba9 s LYS 9 CO 0.40 0.36 0.02 0.41 0.10 0.00 0.00 175.35 176.64 1ba9 n GLY 10 N 1.77 4.00 0.31 0.59 0.00 -1.08 -0.68 105.19 110.10 1ba9 n GLY 10 Ca -0.18 -1.96 -0.02 0.00 0.00 0.00 0.00 46.02 43.86 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 0.21 0.75 -1.79 1.61 3.58 -1.88 -3.45 116.42 115.45 1ba9 h ASP 11 Ca -0.04 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.30 1ba9 h ASP 11 Cb 0.16 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1ba9 h ASP 11 CO 0.07 0.70 0.00 0.61 -2.88 0.00 0.00 179.24 177.74 1ba9 n GLY 12 N -0.97 4.83 0.10 -0.78 0.00 -1.26 -5.00 105.19 102.11 1ba9 n GLY 12 Ca 0.04 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.08 0.96 -1.61 1.61 -0.04 -1.26 -4.69 135.00 129.90 1ba9 n PRO 13 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 1ba9 n PRO 13 Cb 0.00 -1.09 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 1ba9 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ba9 s VAL 14 N -1.81 3.05 0.06 0.52 1.01 -1.26 -4.48 120.40 117.49 1ba9 s VAL 14 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1ba9 s VAL 14 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1ba9 s VAL 14 CO 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 175.10 175.11 1ba9 s GLN 15 N 8.64 3.07 -0.16 2.72 -2.07 -0.68 -2.63 119.66 128.55 1ba9 s GLN 15 Ca 0.91 -0.58 -0.03 0.00 -1.82 0.00 0.00 55.36 53.84 1ba9 s GLN 15 Cb -0.13 -2.84 0.05 0.00 -1.09 0.00 0.00 33.01 29.01 1ba9 s GLN 15 CO 0.10 0.60 0.05 0.20 -1.32 0.00 0.00 175.29 174.91 1ba9 s GLY 16 N -2.28 0.54 -0.92 2.60 0.00 -0.06 0.04 107.32 107.24 1ba9 s GLY 16 Ca 0.29 -0.46 -0.20 0.00 0.00 0.00 0.00 44.72 44.36 1ba9 s GLY 16 CO 0.22 1.49 1.18 -0.42 0.00 0.00 0.00 173.10 175.57 1ba9 s ILE 17 N 1.98 4.51 0.40 0.90 -1.09 -0.22 -0.10 121.20 127.58 1ba9 s ILE 17 Ca 0.01 -1.27 -0.23 0.00 -2.23 0.00 0.00 60.65 56.93 1ba9 s ILE 17 Cb -0.16 -4.83 -0.09 0.00 -1.58 0.00 0.00 42.46 35.80 1ba9 s ILE 17 CO -0.08 -1.60 1.01 -0.63 -1.23 0.00 0.00 174.94 172.41 1ba9 s ILE 18 N 3.33 3.97 0.02 2.92 -1.09 0.12 -1.66 121.20 128.80 1ba9 s ILE 18 Ca 0.34 1.43 0.04 0.00 -2.23 0.00 0.00 60.65 60.23 1ba9 s ILE 18 Cb -0.05 -3.70 -0.01 0.00 -1.58 0.00 0.00 42.46 37.12 1ba9 s ILE 18 CO -0.07 -0.07 -0.11 0.20 -1.23 0.00 0.00 174.94 173.65 1ba9 s ASN 19 N -1.76 1.33 -0.06 3.58 -0.87 0.31 -0.83 114.94 116.64 1ba9 s ASN 19 Ca 0.58 -0.33 0.05 0.00 -1.57 0.00 0.00 52.86 51.60 1ba9 s ASN 19 Cb -0.18 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.25 40.94 1ba9 s ASN 19 CO 0.23 0.05 -0.22 -0.36 -2.57 0.00 0.00 177.10 174.23 1ba9 s PHE 20 N -0.60 2.18 -0.04 2.20 0.40 0.27 -0.50 117.98 121.90 1ba9 s PHE 20 Ca 0.01 -0.68 0.06 0.00 -0.60 0.00 0.00 56.93 55.73 1ba9 s PHE 20 Cb -0.06 -1.45 -0.02 0.00 0.51 0.00 0.00 43.02 42.00 1ba9 s PHE 20 CO 0.00 -0.23 -0.22 -1.21 0.70 0.00 0.00 175.22 174.26 1ba9 s GLU 21 N -0.01 2.33 -0.30 0.44 0.41 -0.61 -1.12 118.70 119.85 1ba9 s GLU 21 Ca -0.06 -0.86 -0.16 0.00 -0.41 0.00 0.00 54.97 53.48 1ba9 s GLU 21 Cb -0.14 -2.17 0.18 0.00 -1.78 0.00 0.00 34.13 30.22 1ba9 s GLU 21 CO 0.04 0.54 1.13 -1.14 -0.49 0.00 0.00 175.26 175.34 1ba9 s GLN 22 N -0.53 0.14 0.00 1.61 2.00 -1.26 -0.41 119.66 121.21 1ba9 s GLN 22 Ca 0.07 0.32 0.13 0.00 -2.00 0.00 0.00 55.36 53.88 1ba9 s GLN 22 Cb -0.11 0.19 0.34 0.00 0.80 0.00 0.00 33.01 34.23 1ba9 s GLN 22 CO 0.00 -0.10 1.27 0.36 -0.50 0.00 0.00 175.29 176.33 1ba9 n LYS 23 N 5.06 2.61 -4.18 1.67 2.85 -1.26 -3.96 118.16 120.95 1ba9 n LYS 23 Ca -0.08 -2.07 -0.15 0.00 -1.05 0.00 0.00 58.31 54.96 1ba9 n LYS 23 Cb 0.54 -1.32 -0.11 0.00 -0.65 0.00 0.00 35.03 33.49 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 -1.02 0.85 0.44 -1.58 2.02 -1.26 -5.01 118.70 113.15 1ba9 s GLU 24 Ca 0.27 -1.14 0.25 0.00 0.02 0.00 0.00 54.97 54.36 1ba9 s GLU 24 Cb 0.14 -0.57 0.68 0.00 0.10 0.00 0.00 34.13 34.48 1ba9 s GLU 24 CO 0.19 0.09 1.72 0.66 0.02 0.00 0.00 175.26 177.95 1ba9 h SER 25 N 3.62 0.00 0.00 -0.19 4.64 -1.97 -3.36 113.55 116.29 1ba9 h SER 25 Ca -0.38 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 1ba9 h SER 25 Cb 1.19 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.22 1ba9 h SER 25 CO 0.52 0.12 -0.58 -3.20 -0.87 0.00 0.00 176.83 172.82 1ba9 n ASN 26 N -3.17 0.15 -4.57 4.97 2.85 -1.26 -4.66 115.26 109.56 1ba9 n ASN 26 Ca 0.02 -2.00 -0.24 0.00 -0.11 0.00 0.00 54.58 52.25 1ba9 n ASN 26 Cb 0.48 -0.21 0.13 0.00 1.24 0.00 0.00 39.78 41.42 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 -1.15 1.75 -0.21 8.20 0.00 -1.26 -5.03 107.32 109.63 1ba9 s GLY 27 Ca 0.05 -1.81 -0.29 0.00 0.00 0.00 0.00 44.72 42.67 1ba9 s GLY 27 CO -0.03 -1.17 1.45 2.56 0.00 0.00 0.00 173.10 175.91 1ba9 s PRO 28 N -5.25 3.99 0.18 2.90 0.04 -1.26 -4.77 135.00 130.83 1ba9 s PRO 28 Ca 0.69 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 1ba9 s PRO 28 Cb -0.04 -3.92 -0.08 0.00 0.04 0.00 0.00 34.50 30.50 1ba9 s PRO 28 CO 0.46 -1.04 1.23 0.08 0.04 0.00 0.00 177.00 177.77 1ba9 s VAL 29 N 4.40 3.51 -0.24 -0.36 1.01 0.32 -4.74 120.40 124.31 1ba9 s VAL 29 Ca 0.63 1.25 -0.11 0.00 0.00 0.00 0.00 61.98 63.75 1ba9 s VAL 29 Cb -0.23 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1ba9 s VAL 29 CO 0.24 0.19 0.18 -0.54 0.00 0.00 0.00 175.10 175.16 1ba9 s LYS 30 N -0.10 4.08 -0.34 2.72 3.01 0.45 -0.63 119.74 128.94 1ba9 s LYS 30 Ca 0.54 -0.24 -0.10 0.00 -1.01 0.00 0.00 55.97 55.17 1ba9 s LYS 30 Cb -0.33 -3.54 0.01 0.00 -1.01 0.00 0.00 37.83 32.96 1ba9 s LYS 30 CO 0.36 0.06 0.17 0.08 0.51 0.00 0.00 175.35 176.54 1ba9 s VAL 31 N 1.06 4.52 0.24 3.17 1.01 0.62 -1.57 120.40 129.46 1ba9 s VAL 31 Ca 0.08 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 61.49 1ba9 s VAL 31 Cb -0.14 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1ba9 s VAL 31 CO 0.05 -0.08 -0.06 0.26 0.00 0.00 0.00 175.10 175.26 1ba9 s TRP 32 N 1.57 2.62 0.22 5.22 0.51 0.35 -0.62 118.94 128.81 1ba9 s TRP 32 Ca 0.03 -0.24 -0.21 0.00 -2.12 0.00 0.00 56.10 53.56 1ba9 s TRP 32 Cb -0.18 -1.19 0.07 0.00 -0.81 0.00 0.00 33.47 31.37 1ba9 s TRP 32 CO 0.06 0.61 1.00 0.20 -0.51 0.00 0.00 176.95 178.31 1ba9 s GLY 33 N -3.42 0.15 -0.35 0.98 0.00 -0.54 -0.53 107.32 103.62 1ba9 s GLY 33 Ca 0.29 -0.40 -0.00 0.00 0.00 0.00 0.00 44.72 44.61 1ba9 s GLY 33 CO 0.18 1.98 0.80 -1.35 0.00 0.00 0.00 173.10 174.71 1ba9 s SER 34 N -3.35 -1.05 0.79 1.64 1.04 -0.66 -0.53 113.70 111.58 1ba9 s SER 34 Ca 0.21 -0.31 -0.12 0.00 0.48 0.00 0.00 55.95 56.21 1ba9 s SER 34 Cb -0.03 1.43 0.07 0.00 0.10 0.00 0.00 66.02 67.60 1ba9 s SER 34 CO 0.06 -0.14 1.14 -0.51 0.98 0.00 0.00 173.24 174.77 1ba9 s ILE 35 N 2.22 2.69 -0.26 -1.02 1.10 -0.12 -1.06 121.20 124.74 1ba9 s ILE 35 Ca 0.16 0.26 -0.01 0.00 -0.51 0.00 0.00 60.65 60.55 1ba9 s ILE 35 Cb -0.03 -2.62 0.13 0.00 0.15 0.00 0.00 42.46 40.09 1ba9 s ILE 35 CO -0.15 -0.26 0.30 -0.75 -2.11 0.00 0.00 174.94 171.97 1ba9 s LYS 36 N -4.49 0.30 0.00 3.50 2.20 0.11 -3.77 119.74 117.58 1ba9 s LYS 36 Ca 0.67 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 1ba9 s LYS 36 Cb -0.22 -0.73 0.00 0.00 -1.51 0.00 0.00 37.83 35.37 1ba9 s LYS 36 CO 0.52 -0.90 0.00 0.41 -0.36 0.00 0.00 175.35 175.03 1ba9 n GLY 37 N 5.32 0.04 0.00 5.54 0.00 -0.40 -1.68 105.19 114.01 1ba9 n GLY 37 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ba9 n GLY 37 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ba9 n LEU 38 N 0.00 0.00 -3.84 0.99 7.94 -0.98 -4.53 117.00 116.57 1ba9 n LEU 38 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 1ba9 n LEU 38 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 1ba9 n LEU 38 CO 0.00 -0.07 -0.08 0.42 -1.11 0.00 0.00 177.39 176.54 1ba9 s THR 39 N 0.00 0.13 0.52 1.96 -4.23 -1.26 -4.34 115.64 108.42 1ba9 s THR 39 Ca 0.00 -1.10 -0.20 0.00 -1.18 0.00 0.00 61.69 59.21 1ba9 s THR 39 Cb 0.00 -1.25 -0.09 0.00 1.34 0.00 0.00 72.50 72.51 1ba9 s THR 39 CO 0.00 -0.61 0.76 -1.84 -0.54 0.00 0.00 174.62 172.39 1ba9 n GLU 40 N 0.09 0.82 0.00 3.99 0.00 -1.16 -4.60 120.64 119.78 1ba9 n GLU 40 Ca -0.16 0.31 0.00 0.00 0.00 0.00 0.00 57.16 57.31 1ba9 n GLU 40 Cb 0.62 -1.87 0.00 0.00 0.00 0.00 0.00 31.44 30.19 1ba9 n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ba9 n GLY 41 N 1.51 0.46 3.14 -1.84 0.00 -1.13 -4.91 105.19 102.43 1ba9 n GLY 41 Ca 0.12 -2.16 -0.21 0.00 0.00 0.00 0.00 46.02 43.77 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 2.15 -0.02 0.99 2.34 -1.26 -0.18 118.68 122.71 1ba9 s LEU 42 Ca 0.00 -0.43 0.01 0.00 0.06 0.00 0.00 54.13 53.77 1ba9 s LEU 42 Cb 0.00 -0.64 0.01 0.00 -0.56 0.00 0.00 46.19 45.00 1ba9 s LEU 42 CO 0.00 0.06 -0.02 -1.00 -1.06 0.00 0.00 176.35 174.33 1ba9 s HIS 43 N -0.77 0.34 -0.17 3.48 3.76 0.21 -2.91 115.29 119.24 1ba9 s HIS 43 Ca 0.02 -0.05 -0.29 0.00 -0.15 0.00 0.00 55.06 54.59 1ba9 s HIS 43 Cb -0.07 -0.31 -0.01 0.00 1.11 0.00 0.00 32.58 33.29 1ba9 s HIS 43 CO 0.01 -0.06 1.23 0.20 -0.85 0.00 0.00 174.74 175.27 1ba9 s GLY 44 N 0.39 1.68 -0.16 -2.22 0.00 -0.01 -0.35 107.32 106.65 1ba9 s GLY 44 Ca -0.04 0.43 -0.00 0.00 0.00 0.00 0.00 44.72 45.11 1ba9 s GLY 44 CO -0.01 2.44 -0.14 -0.12 0.00 0.00 0.00 173.10 175.28 1ba9 s PHE 45 N 3.39 2.81 0.07 1.90 2.19 -0.07 -3.09 117.98 125.18 1ba9 s PHE 45 Ca 0.53 -1.01 -0.17 0.00 0.33 0.00 0.00 56.93 56.60 1ba9 s PHE 45 Cb -0.21 -1.92 0.04 0.00 -1.31 0.00 0.00 43.02 39.62 1ba9 s PHE 45 CO 0.14 -0.47 0.41 -1.01 1.83 0.00 0.00 175.22 176.12 1ba9 s HIS 46 N 0.88 -0.25 -0.46 10.12 3.76 0.07 -2.70 115.29 126.72 1ba9 s HIS 46 Ca -0.04 0.11 -0.23 0.00 -0.15 0.00 0.00 55.06 54.75 1ba9 s HIS 46 Cb -0.15 0.24 0.03 0.00 1.11 0.00 0.00 32.58 33.80 1ba9 s HIS 46 CO -0.01 -0.62 0.81 0.08 -0.85 0.00 0.00 174.74 174.15 1ba9 s VAL 47 N -2.97 4.61 0.63 -0.90 1.01 0.06 -0.91 120.40 121.93 1ba9 s VAL 47 Ca -0.02 0.45 -0.11 0.00 0.00 0.00 0.00 61.98 62.30 1ba9 s VAL 47 Cb 0.00 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1ba9 s VAL 47 CO -0.06 -0.76 1.04 -1.00 0.00 0.00 0.00 175.10 174.32 1ba9 s HIS 48 N 3.39 3.59 1.08 5.22 3.76 0.96 -0.88 115.29 132.41 1ba9 s HIS 48 Ca 0.31 1.26 -0.14 0.00 -0.15 0.00 0.00 55.06 56.34 1ba9 s HIS 48 Cb -0.12 -2.76 0.23 0.00 1.11 0.00 0.00 32.58 31.04 1ba9 s HIS 48 CO 0.23 -0.75 1.08 -2.00 -0.85 0.00 0.00 174.74 172.45 1ba9 s GLU 49 N -5.20 -0.22 0.78 1.40 -6.30 -0.56 -3.59 118.70 105.02 1ba9 s GLU 49 Ca 0.55 0.47 0.00 0.00 -2.50 0.00 0.00 54.97 53.50 1ba9 s GLU 49 Cb -0.11 -1.67 0.00 0.00 0.00 0.00 0.00 34.13 32.35 1ba9 s GLU 49 CO 0.54 -3.16 0.00 0.39 0.02 0.00 0.00 175.26 173.05 1ba9 n GLU 50 N -4.47 -1.42 0.00 4.30 1.02 -1.26 -4.19 120.64 114.62 1ba9 n GLU 50 Ca 0.05 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 58.13 1ba9 n GLU 50 Cb 0.57 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 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 -2.76 0.00 -3.34 3.49 2.13 -1.26 -0.82 120.64 118.08 1ba9 n GLU 51 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.43 1ba9 n GLU 51 Cb 0.32 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.95 1ba9 n GLU 51 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ba9 s ASP 52 N 1.02 6.28 0.00 4.31 2.15 -1.26 -4.39 116.67 124.79 1ba9 s ASP 52 Ca 0.00 0.20 0.00 0.00 0.43 0.00 0.00 52.55 53.18 1ba9 s ASP 52 Cb 0.00 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 1ba9 s ASP 52 CO 0.00 -0.28 0.00 -3.20 -0.17 0.00 0.00 175.17 171.52 1ba9 n ASN 53 N 5.45 0.00 -2.14 -0.34 2.85 -1.26 -5.02 115.26 114.80 1ba9 n ASN 53 Ca -0.07 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.32 1ba9 n ASN 53 Cb 0.50 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.40 1ba9 n ASN 53 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1ba9 n THR 54 N 0.00 2.09 -0.36 -0.44 5.66 -1.26 -4.67 114.28 115.30 1ba9 n THR 54 Ca 0.00 -1.04 -0.00 0.00 -3.05 0.00 0.00 64.05 59.95 1ba9 n THR 54 Cb 0.00 -1.84 0.05 0.00 -1.55 0.00 0.00 70.33 66.98 1ba9 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ba9 n ALA 55 N 2.64 -0.09 -3.03 1.79 0.00 -1.26 -1.95 120.51 118.60 1ba9 n ALA 55 Ca 0.30 0.96 -0.21 0.00 0.00 0.00 0.00 53.44 54.48 1ba9 n ALA 55 Cb 0.64 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 1ba9 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 56 N -1.46 4.24 3.07 0.00 0.00 -1.26 -4.99 105.19 104.79 1ba9 n GLY 56 Ca 0.10 -2.08 -0.18 0.00 0.00 0.00 0.00 46.02 43.86 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 -4.32 4.11 0.00 0.00 5.66 -1.26 -4.81 114.28 113.66 1ba9 n THR 58 Ca -0.01 -3.13 0.00 0.00 -3.05 0.00 0.00 64.05 57.86 1ba9 n THR 58 Cb 0.55 -2.00 0.00 0.00 -1.55 0.00 0.00 70.33 67.33 1ba9 n THR 58 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ba9 n SER 59 N 1.90 0.00 0.00 1.09 2.88 -1.26 -4.81 113.62 113.42 1ba9 n SER 59 Ca 0.58 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1ba9 n SER 59 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1ba9 n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ba9 n ALA 60 N 0.00 0.00 -3.69 -1.46 0.00 -1.26 -4.76 120.51 109.34 1ba9 n ALA 60 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1ba9 n ALA 60 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.32 0.28 0.00 0.00 -1.26 -4.88 107.32 101.14 1ba9 s GLY 61 Ca 0.00 0.41 -0.05 0.00 0.00 0.00 0.00 44.72 45.08 1ba9 s GLY 61 CO 0.00 0.17 0.30 -1.55 0.00 0.00 0.00 173.10 172.02 1ba9 n PRO 62 N -0.49 -0.92 -1.68 2.90 -0.04 -1.26 -4.39 135.00 129.12 1ba9 n PRO 62 Ca -0.07 -0.48 -0.45 0.00 -0.04 0.00 0.00 63.50 62.46 1ba9 n PRO 62 Cb 0.62 -0.38 -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 0.72 -0.04 0.00 0.00 175.50 176.18 1ba9 n HIS 63 N -2.77 2.33 -2.30 0.54 8.25 -1.25 -1.49 115.22 118.52 1ba9 n HIS 63 Ca 0.04 0.29 -0.42 0.00 -0.26 0.00 0.00 57.72 57.37 1ba9 n HIS 63 Cb 0.15 -2.54 -0.03 0.00 1.12 0.00 0.00 29.99 28.69 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 0.60 3.01 -0.42 4.41 2.19 -0.05 -4.72 117.98 122.99 1ba9 s PHE 64 Ca 0.74 0.97 0.08 0.00 0.33 0.00 0.00 56.93 59.06 1ba9 s PHE 64 Cb -0.64 -3.58 0.27 0.00 -1.31 0.00 0.00 43.02 37.76 1ba9 s PHE 64 CO 0.41 -2.03 0.69 0.27 1.83 0.00 0.00 175.22 176.39 1ba9 n ASN 65 N 5.17 -0.71 0.15 6.13 6.94 -1.26 -0.69 115.26 130.99 1ba9 n ASN 65 Ca 0.12 -2.97 0.12 0.00 -0.02 0.00 0.00 54.58 51.83 1ba9 n ASN 65 Cb 0.44 0.19 0.53 0.00 -2.36 0.00 0.00 39.78 38.59 1ba9 n ASN 65 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1ba9 n PRO 66 N 1.22 0.19 0.00 -0.53 -0.04 -1.26 -0.68 135.00 133.90 1ba9 n PRO 66 Ca 0.17 0.49 0.12 0.00 -0.04 0.00 0.00 63.50 64.24 1ba9 n PRO 66 Cb 0.59 -1.91 0.55 0.00 -0.04 0.00 0.00 33.50 32.68 1ba9 n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ba9 n LEU 67 N -2.28 0.00 -3.07 1.53 4.32 -1.26 -4.93 117.00 111.30 1ba9 n LEU 67 Ca 0.01 0.47 -0.15 0.00 -0.02 0.00 0.00 56.01 56.32 1ba9 n LEU 67 Cb 0.18 -0.47 0.08 0.00 -1.62 0.00 0.00 43.42 41.59 1ba9 n LEU 67 CO 0.17 -0.07 0.10 -0.24 -1.22 0.00 0.00 177.39 176.14 1ba9 n SER 68 N -1.47 -2.24 -4.65 -1.43 2.88 0.14 -5.04 113.62 101.81 1ba9 n SER 68 Ca 0.07 -0.52 -0.28 0.00 -1.33 0.00 0.00 58.87 56.80 1ba9 n SER 68 Cb 0.28 -4.44 -0.08 0.00 -0.75 0.00 0.00 64.21 59.22 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 -5.21 2.38 0.96 -1.46 0.52 -1.26 -5.14 118.95 109.74 1ba9 s ARG 69 Ca 0.03 -1.02 -0.16 0.00 -0.52 0.00 0.00 55.73 54.06 1ba9 s ARG 69 Cb -0.01 -2.39 0.22 0.00 0.52 0.00 0.00 34.95 33.29 1ba9 s ARG 69 CO 0.62 0.49 1.31 1.63 0.02 0.00 0.00 175.30 179.37 1ba9 n LYS 70 N 0.23 -1.25 -0.76 3.54 4.01 -1.26 -4.57 118.16 118.10 1ba9 n LYS 70 Ca -0.11 -2.06 -0.31 0.00 -0.51 0.00 0.00 58.31 55.32 1ba9 n LYS 70 Cb 0.54 -1.34 0.16 0.00 -0.51 0.00 0.00 35.03 33.88 1ba9 n LYS 70 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1ba9 s HIS 71 N -3.86 1.67 0.00 2.13 5.65 0.04 -2.60 115.29 118.32 1ba9 s HIS 71 Ca 0.75 1.78 0.00 0.00 0.25 0.00 0.00 55.06 57.83 1ba9 s HIS 71 Cb -0.02 -3.35 0.00 0.00 -1.18 0.00 0.00 32.58 28.03 1ba9 s HIS 71 CO 0.52 -2.78 0.00 0.41 -0.65 0.00 0.00 174.74 172.24 1ba9 n GLY 72 N 0.19 -0.82 3.95 1.59 0.00 -1.26 -3.90 105.19 104.95 1ba9 n GLY 72 Ca 0.12 -1.16 -0.20 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 1.71 0.52 -0.02 0.00 -1.16 -4.35 107.32 104.01 1ba9 s GLY 73 Ca 0.00 -1.55 0.27 0.00 0.00 0.00 0.00 44.72 43.43 1ba9 s GLY 73 CO 0.00 -1.46 2.07 -0.56 0.00 0.00 0.00 173.10 173.15 1ba9 h PRO 74 N 0.98 0.00 0.00 2.90 0.13 -1.84 -0.40 132.00 133.77 1ba9 h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.54 0.12 0.00 0.36 -0.23 0.00 0.00 178.00 178.79 1ba9 n LYS 75 N -3.67 0.03 -3.94 0.86 2.85 -1.26 -4.89 118.16 108.14 1ba9 n LYS 75 Ca -0.02 0.13 -0.22 0.00 -1.05 0.00 0.00 58.31 57.16 1ba9 n LYS 75 Cb 0.23 -1.55 -0.04 0.00 -0.65 0.00 0.00 35.03 33.02 1ba9 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ba9 s ASP 76 N -3.20 5.21 0.14 -5.58 1.11 -0.16 -5.03 116.67 109.17 1ba9 s ASP 76 Ca 0.11 -0.49 -0.14 0.00 0.18 0.00 0.00 52.55 52.21 1ba9 s ASP 76 Cb 0.14 -1.02 0.02 0.00 1.07 0.00 0.00 42.92 43.13 1ba9 s ASP 76 CO 0.43 -0.26 1.64 -0.33 1.18 0.00 0.00 175.17 177.83 1ba9 h GLU 77 N 1.37 0.76 -6.38 8.23 4.39 -1.90 -3.43 114.58 117.62 1ba9 h GLU 77 Ca -0.45 -0.19 -0.54 0.00 0.34 0.00 0.00 59.36 58.52 1ba9 h GLU 77 Cb 1.25 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.78 1ba9 h GLU 77 CO 0.60 0.75 -0.18 -1.21 -1.16 0.00 0.00 179.01 177.81 1ba9 s GLU 78 N -5.28 3.70 0.00 2.33 2.02 -1.26 -5.06 118.70 115.15 1ba9 s GLU 78 Ca -0.13 0.09 0.00 0.00 0.02 0.00 0.00 54.97 54.95 1ba9 s GLU 78 Cb 0.11 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.64 1ba9 s GLU 78 CO 0.79 0.32 0.00 2.89 0.02 0.00 0.00 175.26 179.28 1ba9 n ARG 79 N -0.34 0.00 -1.01 1.61 1.85 -1.10 -3.00 116.66 114.68 1ba9 n ARG 79 Ca -0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.54 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 -1.01 -0.01 0.00 0.00 177.63 176.61 1ba9 s HIS 80 N -0.68 0.27 0.14 2.89 3.76 -1.07 -4.62 115.29 115.98 1ba9 s HIS 80 Ca 0.00 0.47 -0.13 0.00 -0.15 0.00 0.00 55.06 55.25 1ba9 s HIS 80 Cb 0.00 -3.42 0.01 0.00 1.11 0.00 0.00 32.58 30.28 1ba9 s HIS 80 CO 0.00 -4.05 1.59 -0.24 -0.85 0.00 0.00 174.74 171.19 1ba9 h VAL 81 N -2.70 1.26 -1.64 -0.90 3.04 -1.26 -3.20 116.25 110.86 1ba9 h VAL 81 Ca -0.44 -1.10 -0.64 0.00 -1.01 0.00 0.00 66.70 63.51 1ba9 h VAL 81 Cb 1.29 1.03 -0.38 0.00 -2.01 0.00 0.00 31.29 31.23 1ba9 h VAL 81 CO 0.32 0.38 -0.20 0.61 -1.01 0.00 0.00 177.57 177.67 1ba9 n GLY 82 N -0.35 5.88 3.40 3.17 0.00 -1.22 -4.64 105.19 111.43 1ba9 n GLY 82 Ca 0.00 -2.68 -0.45 0.00 0.00 0.00 0.00 46.02 42.89 1ba9 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ba9 s ASP 83 N -2.82 6.85 -0.31 1.61 1.01 -1.21 -0.76 116.67 121.04 1ba9 s ASP 83 Ca 0.49 -2.63 -0.03 0.00 0.71 0.00 0.00 52.55 51.09 1ba9 s ASP 83 Cb 0.41 -2.31 0.06 0.00 1.01 0.00 0.00 42.92 42.09 1ba9 s ASP 83 CO -0.25 -0.75 2.58 0.18 0.21 0.00 0.00 175.17 177.14 1ba9 n LEU 84 N 5.05 6.22 0.00 1.23 7.99 -1.10 -3.93 117.00 132.46 1ba9 n LEU 84 Ca 0.23 -3.56 0.00 0.00 -0.01 0.00 0.00 56.01 52.67 1ba9 n LEU 84 Cb 0.46 -1.19 0.00 0.00 -0.11 0.00 0.00 43.42 42.58 1ba9 n LEU 84 CO 0.47 1.50 0.00 0.61 -1.51 0.00 0.00 177.39 178.46 1ba9 n GLY 85 N 0.97 0.60 3.09 -0.72 0.00 -1.26 -4.33 105.19 103.55 1ba9 n GLY 85 Ca 0.38 0.24 -0.08 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.47 0.62 0.33 1.61 2.20 -1.26 -0.89 114.94 116.07 1ba9 s ASN 86 Ca 0.00 -0.93 0.10 0.00 -0.94 0.00 0.00 52.86 51.09 1ba9 s ASN 86 Cb 0.00 0.16 -0.06 0.00 -2.00 0.00 0.00 41.25 39.35 1ba9 s ASN 86 CO 0.00 -0.52 -0.09 0.68 -2.94 0.00 0.00 177.10 174.22 1ba9 s VAL 87 N -3.50 2.41 -0.24 3.54 -7.23 0.53 -4.85 120.40 111.07 1ba9 s VAL 87 Ca 0.05 -2.19 -0.04 0.00 -1.81 0.00 0.00 61.98 57.99 1ba9 s VAL 87 Cb 0.05 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.38 1ba9 s VAL 87 CO -0.08 -0.25 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.54 1ba9 s THR 88 N -2.56 3.28 0.28 5.32 2.01 -1.26 -0.62 115.64 122.09 1ba9 s THR 88 Ca 0.32 -0.69 -0.26 0.00 0.31 0.00 0.00 61.69 61.37 1ba9 s THR 88 Cb 0.00 -2.57 -0.09 0.00 0.01 0.00 0.00 72.50 69.85 1ba9 s THR 88 CO 0.17 0.31 0.91 0.00 -0.69 0.00 0.00 174.62 175.31 1ba9 s ALA 89 N 1.43 3.27 0.87 7.40 0.00 0.75 -4.28 121.76 131.21 1ba9 s ALA 89 Ca 0.04 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 1ba9 s ALA 89 Cb -0.15 -3.13 0.11 0.00 0.00 0.00 0.00 23.12 19.95 1ba9 s ALA 89 CO -0.03 0.21 1.13 0.34 0.00 0.00 0.00 175.76 177.41 1ba9 s ASP 90 N -1.50 3.87 0.63 0.00 2.15 0.57 -2.82 116.67 119.56 1ba9 s ASP 90 Ca 0.47 1.04 0.32 0.00 0.43 0.00 0.00 52.55 54.80 1ba9 s ASP 90 Cb -0.20 -1.65 1.77 0.00 -0.30 0.00 0.00 42.92 42.54 1ba9 s ASP 90 CO 0.25 -2.33 2.07 0.07 -0.17 0.00 0.00 175.17 175.06 1ba9 h LYS 91 N -1.34 0.00 -0.01 4.34 5.09 -1.94 0.14 116.57 122.85 1ba9 h LYS 91 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.25 1ba9 h LYS 91 Cb 1.31 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.64 1ba9 h LYS 91 CO 0.62 0.00 -0.05 -3.47 -2.09 0.00 0.00 179.45 174.45 1ba9 n ASP 92 N -3.38 1.08 -1.38 7.07 2.03 -1.26 -4.75 116.55 115.95 1ba9 n ASP 92 Ca 0.00 -1.22 -0.08 0.00 0.52 0.00 0.00 54.79 54.02 1ba9 n ASP 92 Cb 0.34 0.01 0.02 0.00 -0.72 0.00 0.00 41.12 40.77 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 1.19 0.35 3.16 0.27 0.00 0.49 -4.70 105.19 105.94 1ba9 n GLY 93 Ca 0.18 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.93 2.60 -0.48 1.61 1.01 -1.25 -1.28 120.40 119.68 1ba9 s VAL 94 Ca 0.15 -1.16 -0.15 0.00 0.00 0.00 0.00 61.98 60.82 1ba9 s VAL 94 Cb -0.07 -2.34 0.09 0.00 0.00 0.00 0.00 36.38 34.06 1ba9 s VAL 94 CO 0.19 0.19 0.41 0.00 0.00 0.00 0.00 175.10 175.89 1ba9 s ALA 95 N 1.27 3.56 0.47 5.51 0.00 -1.25 -0.32 121.76 131.00 1ba9 s ALA 95 Ca -0.01 -2.21 -0.22 0.00 0.00 0.00 0.00 51.96 49.52 1ba9 s ALA 95 Cb -0.17 -3.09 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 1ba9 s ALA 95 CO -0.06 -1.79 1.13 0.16 0.00 0.00 0.00 175.76 175.21 1ba9 s ASP 96 N 2.78 6.17 0.05 0.00 -4.77 -1.26 -0.95 116.67 118.69 1ba9 s ASP 96 Ca 0.04 2.22 0.05 0.00 -3.30 0.00 0.00 52.55 51.56 1ba9 s ASP 96 Cb -0.25 -2.59 -0.02 0.00 -1.09 0.00 0.00 42.92 38.96 1ba9 s ASP 96 CO 0.06 -0.91 -0.14 -0.69 0.70 0.00 0.00 175.17 174.18 1ba9 s VAL 97 N -1.63 1.10 -0.41 2.11 1.01 0.31 -4.62 120.40 118.26 1ba9 s VAL 97 Ca 0.65 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1ba9 s VAL 97 Cb -0.26 -1.02 0.19 0.00 0.00 0.00 0.00 36.38 35.29 1ba9 s VAL 97 CO 0.31 -0.08 0.79 -0.94 0.00 0.00 0.00 175.10 175.19 1ba9 s SER 98 N -1.34 -1.12 0.31 3.32 1.04 -1.23 -1.46 113.70 113.21 1ba9 s SER 98 Ca 0.00 -0.83 0.06 0.00 0.48 0.00 0.00 55.95 55.66 1ba9 s SER 98 Cb -0.09 1.45 -0.03 0.00 0.10 0.00 0.00 66.02 67.45 1ba9 s SER 98 CO 0.02 -0.10 0.26 -0.51 0.98 0.00 0.00 173.24 173.89 1ba9 s ILE 99 N 1.55 0.00 0.02 -1.02 2.07 0.21 -5.01 121.20 119.02 1ba9 s ILE 99 Ca 0.20 -1.99 -0.08 0.00 -1.41 0.00 0.00 60.65 57.37 1ba9 s ILE 99 Cb 0.00 -2.50 0.00 0.00 0.13 0.00 0.00 42.46 40.09 1ba9 s ILE 99 CO -0.09 0.00 0.16 -1.83 -1.91 0.00 0.00 174.94 171.27 1ba9 s GLU 100 N -3.56 0.56 0.01 3.50 4.04 -1.26 -0.28 118.70 121.71 1ba9 s GLU 100 Ca 0.40 -0.50 0.00 0.00 0.04 0.00 0.00 54.97 54.92 1ba9 s GLU 100 Cb 0.03 0.23 -0.01 0.00 0.02 0.00 0.00 34.13 34.40 1ba9 s GLU 100 CO 0.25 -0.14 -0.02 -0.51 -1.84 0.00 0.00 175.26 172.99 1ba9 s ASP 101 N -1.66 0.21 0.00 0.83 1.11 0.20 -4.95 116.67 112.41 1ba9 s ASP 101 Ca -0.11 -0.23 0.19 0.00 0.18 0.00 0.00 52.55 52.58 1ba9 s ASP 101 Cb -0.05 0.03 0.49 0.00 1.07 0.00 0.00 42.92 44.46 1ba9 s ASP 101 CO -0.00 -0.11 1.40 -1.20 1.18 0.00 0.00 175.17 176.44 1ba9 n SER 102 N 2.43 3.50 -0.07 0.27 7.64 -1.26 -0.52 113.62 125.60 1ba9 n SER 102 Ca -0.17 -1.97 -0.22 0.00 1.01 0.00 0.00 58.87 57.51 1ba9 n SER 102 Cb 0.58 -0.35 -0.12 0.00 -1.01 0.00 0.00 64.21 63.30 1ba9 n SER 102 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1ba9 n VAL 103 N 1.27 1.62 -1.79 0.44 3.14 -1.26 -4.95 118.33 116.80 1ba9 n VAL 103 Ca 0.19 -0.45 -0.30 0.00 -2.96 0.00 0.00 64.34 60.83 1ba9 n VAL 103 Cb 0.55 -1.76 0.07 0.00 -1.06 0.00 0.00 33.84 31.64 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 -2.50 3.18 0.19 1.55 -4.36 -1.26 -4.94 121.20 113.05 1ba9 s ILE 104 Ca -0.29 0.38 -0.23 0.00 -0.26 0.00 0.00 60.65 60.24 1ba9 s ILE 104 Cb 0.08 -3.30 0.06 0.00 1.25 0.00 0.00 42.46 40.55 1ba9 s ILE 104 CO 0.65 -0.50 0.93 -0.44 0.24 0.00 0.00 174.94 175.82 1ba9 s SER 105 N -4.25 -0.15 -0.35 4.36 0.01 -1.26 -4.56 113.70 107.50 1ba9 s SER 105 Ca 0.59 -0.52 0.09 0.00 1.31 0.00 0.00 55.95 57.42 1ba9 s SER 105 Cb -0.12 0.54 0.74 0.00 0.21 0.00 0.00 66.02 67.39 1ba9 s SER 105 CO 0.52 -1.02 1.83 0.18 0.41 0.00 0.00 173.24 175.16 1ba9 n LEU 106 N -0.51 6.24 -3.93 2.44 4.32 -1.26 -0.63 117.00 123.67 1ba9 n LEU 106 Ca -0.05 -3.30 -0.10 0.00 -0.02 0.00 0.00 56.01 52.54 1ba9 n LEU 106 Cb 0.60 -0.76 -0.02 0.00 -1.62 0.00 0.00 43.42 41.62 1ba9 n LEU 106 CO 0.16 0.85 0.34 -0.94 -1.22 0.00 0.00 177.39 176.58 1ba9 s SER 107 N -1.08 0.11 0.64 -1.43 1.04 -1.26 -4.76 113.70 106.95 1ba9 s SER 107 Ca 0.56 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1ba9 s SER 107 Cb 0.45 0.71 0.00 0.00 0.10 0.00 0.00 66.02 67.28 1ba9 s SER 107 CO 0.13 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.58 1ba9 n GLY 108 N -0.48 0.35 0.19 7.32 0.00 -1.26 -2.30 105.19 109.02 1ba9 n GLY 108 Ca -0.04 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 1ba9 n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ba9 h ASP 109 N 5.58 0.63 -0.71 1.61 1.82 -2.00 -3.30 116.42 120.05 1ba9 h ASP 109 Ca 0.00 -0.42 0.20 0.00 -0.39 0.00 0.00 57.03 56.43 1ba9 h ASP 109 Cb 0.00 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 39.81 1ba9 h ASP 109 CO 0.00 0.91 0.67 0.45 -1.61 0.00 0.00 179.24 179.66 1ba9 h HIS 110 N 0.35 0.00 0.00 0.28 3.86 -1.86 -3.44 115.15 114.34 1ba9 h HIS 110 Ca 0.06 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1ba9 h HIS 110 Cb 0.68 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 1ba9 h HIS 110 CO 0.06 0.00 0.13 0.43 0.86 0.00 0.00 177.93 179.41 1ba9 n SER 111 N -3.78 -0.06 0.21 2.45 7.64 -0.97 -4.18 113.62 114.94 1ba9 n SER 111 Ca 0.14 -0.02 0.05 0.00 1.01 0.00 0.00 58.87 60.05 1ba9 n SER 111 Cb 0.92 -0.04 0.45 0.00 -1.01 0.00 0.00 64.21 64.53 1ba9 n SER 111 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1ba9 h ILE 112 N 0.49 1.14 -1.95 0.44 -0.00 -1.18 -3.40 117.51 113.05 1ba9 h ILE 112 Ca 0.00 -0.96 -0.59 0.00 -0.00 0.00 0.00 64.86 63.31 1ba9 h ILE 112 Cb 0.08 1.52 0.00 0.00 -0.00 0.00 0.00 36.82 38.43 1ba9 h ILE 112 CO 0.10 0.27 1.40 -0.38 -0.00 0.00 0.00 178.15 179.54 1ba9 n ILE 113 N -4.13 0.44 -1.38 0.16 2.08 -1.26 -1.76 119.36 113.50 1ba9 n ILE 113 Ca -0.02 -0.34 0.00 0.00 0.56 0.00 0.00 62.75 62.95 1ba9 n ILE 113 Cb 0.33 -2.34 0.00 0.00 -0.75 0.00 0.00 39.64 36.88 1ba9 n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ba9 n GLY 114 N 5.49 0.51 3.29 7.39 0.00 0.10 -5.01 105.19 116.96 1ba9 n GLY 114 Ca 0.29 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.58 1.17 0.01 1.61 1.81 -0.73 -4.62 118.95 115.63 1ba9 s ARG 115 Ca 0.00 -1.51 -0.26 0.00 -1.72 0.00 0.00 55.73 52.24 1ba9 s ARG 115 Cb 0.00 -0.79 -0.05 0.00 -0.45 0.00 0.00 34.95 33.66 1ba9 s ARG 115 CO 0.00 0.10 0.79 0.99 -0.68 0.00 0.00 175.30 176.51 1ba9 s THR 116 N -3.21 4.81 0.11 0.02 2.01 0.00 -1.05 115.64 118.34 1ba9 s THR 116 Ca 0.19 1.67 0.07 0.00 0.31 0.00 0.00 61.69 63.94 1ba9 s THR 116 Cb 0.02 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1ba9 s THR 116 CO 0.03 0.30 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.40 1ba9 s LEU 117 N 0.31 3.01 0.02 4.42 1.43 0.56 -0.03 118.68 128.40 1ba9 s LEU 117 Ca 0.41 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1ba9 s LEU 117 Cb -0.20 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1ba9 s LEU 117 CO 0.23 0.17 -0.02 -0.69 0.23 0.00 0.00 176.35 176.27 1ba9 s VAL 118 N -1.26 0.09 -0.06 -1.59 1.01 -0.08 -0.78 120.40 117.73 1ba9 s VAL 118 Ca 0.21 -0.78 0.18 0.00 0.00 0.00 0.00 61.98 61.60 1ba9 s VAL 118 Cb -0.11 -0.24 -0.27 0.00 0.00 0.00 0.00 36.38 35.76 1ba9 s VAL 118 CO 0.14 -0.43 0.32 0.55 0.00 0.00 0.00 175.10 175.68 1ba9 n VAL 119 N 1.79 0.30 -1.26 2.92 3.14 -1.16 -0.75 118.33 123.31 1ba9 n VAL 119 Ca -0.22 -0.50 0.15 0.00 -2.96 0.00 0.00 64.34 60.80 1ba9 n VAL 119 Cb 0.56 -0.08 -0.08 0.00 -1.06 0.00 0.00 33.84 33.17 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 -2.27 -3.41 -0.03 1.45 8.25 -1.18 -2.86 115.22 115.18 1ba9 n HIS 120 Ca -0.10 1.88 -0.13 0.00 -0.26 0.00 0.00 57.72 59.12 1ba9 n HIS 120 Cb 0.63 -3.09 -0.10 0.00 1.12 0.00 0.00 29.99 28.55 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 -1.21 0.08 -5.58 -0.41 4.81 -0.28 -3.39 114.58 108.61 1ba9 h GLU 121 Ca -0.17 -0.05 -0.63 0.00 -0.13 0.00 0.00 59.36 58.38 1ba9 h GLU 121 Cb 1.20 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.50 1ba9 h GLU 121 CO 0.07 0.60 -0.40 0.15 -0.73 0.00 0.00 179.01 178.70 1ba9 s LYS 122 N -4.07 2.23 0.81 1.92 1.02 0.22 -4.89 119.74 116.98 1ba9 s LYS 122 Ca -0.16 -2.21 -0.12 0.00 0.02 0.00 0.00 55.97 53.50 1ba9 s LYS 122 Cb 0.02 -1.83 0.08 0.00 -0.52 0.00 0.00 37.83 35.58 1ba9 s LYS 122 CO 0.69 -0.52 1.14 0.00 -0.92 0.00 0.00 175.35 175.75 1ba9 s ALA 123 N -2.83 1.93 0.19 5.17 0.00 -1.15 -0.83 121.76 124.25 1ba9 s ALA 123 Ca 0.20 0.55 -0.24 0.00 0.00 0.00 0.00 51.96 52.46 1ba9 s ALA 123 Cb -0.01 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 1ba9 s ALA 123 CO 0.12 -2.15 0.78 0.16 0.00 0.00 0.00 175.76 174.67 1ba9 s ASP 124 N -2.76 7.30 0.00 0.00 1.47 -1.26 -3.88 116.67 117.55 1ba9 s ASP 124 Ca 0.67 1.61 0.00 0.00 1.18 0.00 0.00 52.55 56.00 1ba9 s ASP 124 Cb -0.22 -2.49 0.02 0.00 -0.34 0.00 0.00 42.92 39.90 1ba9 s ASP 124 CO 0.53 0.15 0.64 0.47 0.68 0.00 0.00 175.17 177.64 1ba9 n ASP 125 N 1.30 0.00 -2.38 2.11 8.00 0.95 -4.80 116.55 121.73 1ba9 n ASP 125 Ca -0.04 -1.23 -0.19 0.00 0.71 0.00 0.00 54.79 54.04 1ba9 n ASP 125 Cb 0.49 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.58 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 -0.51 -1.71 -4.28 0.64 7.99 -1.26 -3.06 117.00 114.80 1ba9 n LEU 126 Ca 0.00 0.06 -0.36 0.00 -0.01 0.00 0.00 56.01 55.70 1ba9 n LEU 126 Cb 0.00 -2.72 -0.08 0.00 -0.11 0.00 0.00 43.42 40.51 1ba9 n LEU 126 CO 0.00 -0.22 -0.26 0.61 -1.51 0.00 0.00 177.39 176.01 1ba9 n GLY 127 N -0.93 -0.27 0.00 -0.72 0.00 -1.26 -4.20 105.19 97.80 1ba9 n GLY 127 Ca -0.22 0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.01 0.04 -2.56 1.61 2.85 -1.17 -4.50 118.16 110.43 1ba9 n LYS 128 Ca -0.05 0.24 -0.10 0.00 -1.05 0.00 0.00 58.31 57.36 1ba9 n LYS 128 Cb 0.51 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.40 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 -1.03 0.11 0.20 2.58 0.00 -1.26 -4.89 105.19 100.90 1ba9 n GLY 129 Ca 0.01 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 45.80 1ba9 n GLY 129 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ba9 h GLY 130 N -0.57 0.00 0.00 -0.02 0.00 -1.92 -3.46 103.07 97.10 1ba9 h GLY 130 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1ba9 h GLY 130 CO 0.26 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.96 1ba9 n ASN 131 N -2.48 0.00 -0.20 0.19 2.04 -1.26 -4.96 115.26 108.59 1ba9 n ASN 131 Ca -0.01 0.00 -0.00 0.00 -0.44 0.00 0.00 54.58 54.13 1ba9 n ASN 131 Cb 0.09 0.00 0.07 0.00 -2.53 0.00 0.00 39.78 37.41 1ba9 n ASN 131 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 1ba9 h GLU 132 N 0.00 0.04 -0.76 -3.83 4.81 -1.98 0.45 114.58 113.30 1ba9 h GLU 132 Ca 0.00 -0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.40 1ba9 h GLU 132 Cb 0.00 -0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.25 1ba9 h GLU 132 CO 0.00 0.02 0.11 0.37 -0.73 0.00 0.00 179.01 178.78 1ba9 h GLN 133 N 0.04 0.18 0.75 1.92 -0.00 -1.97 0.34 115.11 116.36 1ba9 h GLN 133 Ca 0.30 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.90 1ba9 h GLN 133 Cb 0.47 -0.04 0.01 0.00 0.00 0.00 0.00 27.48 27.92 1ba9 h GLN 133 CO -0.58 0.12 -0.36 1.03 0.00 0.00 0.00 178.83 179.03 1ba9 h SER 134 N 0.18 -0.85 0.09 -0.69 0.87 -1.36 0.43 113.55 112.22 1ba9 h SER 134 Ca 0.43 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.00 1ba9 h SER 134 Cb 0.78 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1ba9 h SER 134 CO -0.60 -0.51 -0.03 0.00 -0.53 0.00 0.00 176.83 175.15 1ba9 h THR 135 N -1.17 0.57 0.07 2.23 1.03 0.24 0.19 112.91 116.08 1ba9 h THR 135 Ca -0.10 -0.14 -0.36 0.00 -0.01 0.00 0.00 66.41 65.80 1ba9 h THR 135 Cb 0.79 1.09 -0.04 0.00 -1.07 0.00 0.00 68.15 68.92 1ba9 h THR 135 CO 0.17 0.03 -2.11 1.17 -0.01 0.00 0.00 175.52 174.77 1ba9 n LYS 136 N -3.84 0.72 0.00 0.00 4.81 0.11 -0.78 118.16 119.17 1ba9 n LYS 136 Ca -0.03 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1ba9 n LYS 136 Cb 0.12 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.51 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 -3.34 0.00 -0.23 3.15 -2.24 0.14 -3.78 114.28 107.98 1ba9 n THR 137 Ca -0.34 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1ba9 n THR 137 Cb 1.04 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 1ba9 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ba9 n GLY 138 N 0.00 1.58 2.30 3.38 0.00 0.61 -4.26 105.19 108.80 1ba9 n GLY 138 Ca 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 0.26 -4.43 -0.16 1.61 5.15 -1.13 -0.04 115.26 116.52 1ba9 n ASN 139 Ca 0.00 0.29 0.15 0.00 -0.60 0.00 0.00 54.58 54.41 1ba9 n ASN 139 Cb 0.05 -3.91 0.78 0.00 -0.53 0.00 0.00 39.78 36.17 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 -0.29 2.64 -0.38 5.20 0.00 -1.25 -4.89 120.51 121.54 1ba9 n ALA 140 Ca -0.17 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1ba9 n ALA 140 Cb 0.57 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1ba9 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 141 N 1.04 -0.99 3.45 0.00 0.00 -1.26 -0.61 105.19 106.81 1ba9 n GLY 141 Ca 0.22 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 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 0.37 -0.95 1.61 0.15 -1.26 -4.52 113.70 105.10 1ba9 s SER 142 Ca 0.00 1.18 -0.12 0.00 0.70 0.00 0.00 55.95 57.71 1ba9 s SER 142 Cb 0.00 -1.79 0.23 0.00 -1.71 0.00 0.00 66.02 62.75 1ba9 s SER 142 CO 0.00 -4.53 0.93 -0.13 1.20 0.00 0.00 173.24 170.71 1ba9 s ARG 143 N -4.77 3.84 0.25 5.44 3.00 -1.26 0.04 118.95 125.49 1ba9 s ARG 143 Ca 0.68 -2.71 -0.09 0.00 0.00 0.00 0.00 55.73 53.61 1ba9 s ARG 143 Cb -0.20 -4.52 0.38 0.00 0.00 0.00 0.00 34.95 30.62 1ba9 s ARG 143 CO 0.61 -1.31 1.46 1.28 0.00 0.00 0.00 175.30 177.34 1ba9 n LEU 144 N 3.69 -0.40 -4.06 2.53 7.99 -1.26 -4.48 117.00 121.01 1ba9 n LEU 144 Ca 0.19 1.61 -0.11 0.00 -0.01 0.00 0.00 56.01 57.69 1ba9 n LEU 144 Cb 0.44 -0.46 -0.11 0.00 -0.11 0.00 0.00 43.42 43.18 1ba9 n LEU 144 CO 0.40 -1.53 -0.38 0.00 -1.51 0.00 0.00 177.39 174.37 1ba9 s ALA 145 N -6.11 0.51 0.03 -1.18 0.00 -1.26 -3.18 121.76 110.56 1ba9 s ALA 145 Ca -0.14 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1ba9 s ALA 145 Cb 0.24 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.47 1ba9 s ALA 145 CO 0.72 -0.15 -0.05 0.00 0.00 0.00 0.00 175.76 176.28 1ba9 s GLY 147 N -1.44 0.59 0.11 0.00 0.00 0.04 -0.82 107.32 105.80 1ba9 s GLY 147 Ca -0.13 -0.88 0.11 0.00 0.00 0.00 0.00 44.72 43.82 1ba9 s GLY 147 CO -0.00 -0.50 -0.27 -1.34 0.00 0.00 0.00 173.10 170.99 1ba9 s VAL 148 N -3.12 2.24 -0.16 1.40 -7.23 -1.26 -0.32 120.40 111.95 1ba9 s VAL 148 Ca 0.20 -1.66 -0.15 0.00 -1.81 0.00 0.00 61.98 58.55 1ba9 s VAL 148 Cb -0.03 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 1ba9 s VAL 148 CO 0.12 0.16 0.37 -0.63 -0.31 0.00 0.00 175.10 174.81 1ba9 s ILE 149 N -1.00 5.25 0.33 -0.62 1.01 -0.22 -3.95 121.20 122.01 1ba9 s ILE 149 Ca 0.13 0.69 0.03 0.00 0.00 0.00 0.00 60.65 61.50 1ba9 s ILE 149 Cb -0.10 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 1ba9 s ILE 149 CO 0.05 0.34 0.36 -0.83 0.00 0.00 0.00 174.94 174.86 1ba9 s GLY 150 N 0.65 1.93 0.44 6.18 0.00 0.14 -0.72 107.32 115.94 1ba9 s GLY 150 Ca 0.20 -1.82 -0.24 0.00 0.00 0.00 0.00 44.72 42.85 1ba9 s GLY 150 CO 0.06 -1.26 1.23 -0.42 0.00 0.00 0.00 173.10 172.71 1ba9 s ILE 151 N -3.31 2.85 -0.29 0.90 1.09 -1.26 -0.34 121.20 120.84 1ba9 s ILE 151 Ca 0.36 0.70 -0.08 0.00 -1.10 0.00 0.00 60.65 60.52 1ba9 s ILE 151 Cb 0.01 -3.38 -0.01 0.00 -1.06 0.00 0.00 42.46 38.02 1ba9 s ILE 151 CO 0.24 0.05 0.11 0.00 -0.10 0.00 0.00 174.94 175.24 1ba9 s ALA 152 N -1.40 3.21 0.00 9.38 0.00 0.16 -4.55 121.76 128.57 1ba9 s ALA 152 Ca 0.61 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1ba9 s ALA 152 Cb -0.33 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1ba9 s ALA 152 CO 0.41 -0.76 0.00 0.94 0.00 0.00 0.00 175.76 176.36