#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n18 n THR 2 N 0.00 0.00 -4.03 0.00 -2.24 -1.26 -4.59 114.28 102.16 1n18 n THR 2 Ca 0.00 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 1n18 n THR 2 Cb 0.00 0.72 -0.12 0.00 -2.10 0.00 0.00 70.33 68.83 1n18 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1n18 s LYS 3 N -2.49 0.39 0.23 -0.78 1.02 -1.26 -0.35 119.74 116.50 1n18 s LYS 3 Ca 0.02 -0.56 -0.13 0.00 0.02 0.00 0.00 55.97 55.32 1n18 s LYS 3 Cb 0.10 -0.15 -0.00 0.00 -0.52 0.00 0.00 37.83 37.25 1n18 s LYS 3 CO 0.55 0.02 0.47 0.00 -0.92 0.00 0.00 175.35 175.48 1n18 s ALA 4 N -1.09 -0.33 0.01 5.17 0.00 -0.69 -1.44 121.76 123.39 1n18 s ALA 4 Ca -0.09 -0.79 -0.19 0.00 0.00 0.00 0.00 51.96 50.89 1n18 s ALA 4 Cb -0.08 1.02 0.04 0.00 0.00 0.00 0.00 23.12 24.10 1n18 s ALA 4 CO -0.00 -0.83 0.43 0.54 0.00 0.00 0.00 175.76 175.90 1n18 s VAL 5 N -3.99 0.05 -0.03 0.00 0.11 -0.30 -0.94 120.40 115.30 1n18 s VAL 5 Ca 0.20 -0.38 0.01 0.00 -2.93 0.00 0.00 61.98 58.88 1n18 s VAL 5 Cb -0.00 -0.87 0.02 0.00 -1.53 0.00 0.00 36.38 34.00 1n18 s VAL 5 CO 0.07 -0.21 -0.02 0.00 -3.33 0.00 0.00 175.10 171.61 1n18 s ALA 6 N -1.95 0.44 -0.32 1.54 0.00 -0.24 -0.85 121.76 120.39 1n18 s ALA 6 Ca -0.08 0.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.84 1n18 s ALA 6 Cb -0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 1n18 s ALA 6 CO 0.02 -0.03 0.15 0.08 0.00 0.00 0.00 175.76 175.98 1n18 s VAL 7 N 0.86 4.55 -0.08 0.00 1.01 -1.26 -1.26 120.40 124.23 1n18 s VAL 7 Ca -0.10 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 1n18 s VAL 7 Cb -0.13 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1n18 s VAL 7 CO -0.01 0.03 0.62 -0.76 0.00 0.00 0.00 175.10 174.98 1n18 s LEU 8 N 1.60 4.31 0.07 3.92 1.43 0.40 -4.00 118.68 126.41 1n18 s LEU 8 Ca 0.04 1.07 -0.12 0.00 -1.03 0.00 0.00 54.13 54.09 1n18 s LEU 8 Cb -0.17 -2.94 0.01 0.00 0.03 0.00 0.00 46.19 43.12 1n18 s LEU 8 CO 0.06 -0.05 0.26 -0.54 0.23 0.00 0.00 176.35 176.31 1n18 s LYS 9 N 0.63 0.83 0.00 1.70 1.02 -0.66 -2.16 119.74 121.10 1n18 s LYS 9 Ca 0.33 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.64 1n18 s LYS 9 Cb -0.17 0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 1n18 s LYS 9 CO 0.15 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 1n18 n GLY 10 N 0.31 3.19 0.19 -3.33 0.00 -1.25 -1.25 105.19 103.04 1n18 n GLY 10 Ca -0.17 -0.99 0.08 0.00 0.00 0.00 0.00 46.02 44.94 1n18 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1n18 h ASP 11 N 0.00 0.00 -1.21 1.61 3.32 -1.91 -3.46 116.42 114.77 1n18 h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1n18 h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1n18 h ASP 11 CO 0.00 0.25 0.00 0.61 -1.72 0.00 0.00 179.24 178.38 1n18 n GLY 12 N 0.85 2.35 0.05 2.75 0.00 -1.26 -5.03 105.19 104.90 1n18 n GLY 12 Ca 0.02 -1.98 0.14 0.00 0.00 0.00 0.00 46.02 44.19 1n18 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n18 n PRO 13 N 0.00 0.32 -2.06 1.61 -0.04 -1.26 -4.89 135.00 128.68 1n18 n PRO 13 Ca 0.00 -0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 62.94 1n18 n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1n18 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1n18 s VAL 14 N -2.75 3.67 0.00 0.52 1.01 -1.26 -4.47 120.40 117.12 1n18 s VAL 14 Ca 0.21 0.80 -0.14 0.00 0.00 0.00 0.00 61.98 62.85 1n18 s VAL 14 Cb 0.19 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 33.06 1n18 s VAL 14 CO 0.54 -0.09 0.29 0.00 0.00 0.00 0.00 175.10 175.84 1n18 s GLN 15 N 4.04 0.69 0.04 2.72 -2.07 -0.89 -3.87 119.66 120.31 1n18 s GLN 15 Ca 0.71 -0.29 -0.27 0.00 -1.82 0.00 0.00 55.36 53.69 1n18 s GLN 15 Cb -0.31 0.30 0.09 0.00 -1.09 0.00 0.00 33.01 32.00 1n18 s GLN 15 CO 0.28 -0.20 1.21 0.20 -1.32 0.00 0.00 175.29 175.47 1n18 s GLY 16 N -1.52 -0.11 -0.10 2.60 0.00 -0.92 -0.38 107.32 106.89 1n18 s GLY 16 Ca -0.11 0.03 -0.00 0.00 0.00 0.00 0.00 44.72 44.63 1n18 s GLY 16 CO 0.02 3.90 -0.07 -0.42 0.00 0.00 0.00 173.10 176.53 1n18 s ILE 17 N -2.14 0.90 -0.14 0.90 1.01 -0.76 -0.45 121.20 120.51 1n18 s ILE 17 Ca 0.25 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.69 1n18 s ILE 17 Cb -0.00 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.54 1n18 s ILE 17 CO 0.00 0.34 -0.19 -0.63 0.00 0.00 0.00 174.94 174.46 1n18 s ILE 18 N 1.60 2.34 0.10 2.92 -1.09 -0.39 -2.52 121.20 124.17 1n18 s ILE 18 Ca 0.02 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.56 1n18 s ILE 18 Cb -0.13 -1.95 -0.04 0.00 -1.58 0.00 0.00 42.46 38.76 1n18 s ILE 18 CO -0.06 0.54 0.25 0.20 -1.23 0.00 0.00 174.94 174.64 1n18 s ASN 19 N 0.68 6.35 0.00 3.58 0.01 0.66 -1.07 114.94 125.15 1n18 s ASN 19 Ca -0.09 0.24 0.03 0.00 -0.71 0.00 0.00 52.86 52.32 1n18 s ASN 19 Cb -0.16 -1.94 -0.01 0.00 0.41 0.00 0.00 41.25 39.55 1n18 s ASN 19 CO 0.02 0.11 -0.09 -0.36 -1.51 0.00 0.00 177.10 175.27 1n18 s PHE 20 N -1.62 0.79 -0.11 2.20 0.08 -0.11 -1.69 117.98 117.53 1n18 s PHE 20 Ca 0.35 -0.19 -0.07 0.00 0.12 0.00 0.00 56.93 57.14 1n18 s PHE 20 Cb -0.12 -0.50 0.04 0.00 -0.57 0.00 0.00 43.02 41.87 1n18 s PHE 20 CO 0.28 -0.01 0.27 -2.00 -0.10 0.00 0.00 175.22 173.66 1n18 s GLU 21 N -0.40 0.25 -0.27 0.44 2.12 -0.31 -1.71 118.70 118.83 1n18 s GLU 21 Ca 0.02 0.53 -0.01 0.00 0.36 0.00 0.00 54.97 55.87 1n18 s GLU 21 Cb -0.04 -0.05 0.09 0.00 0.26 0.00 0.00 34.13 34.38 1n18 s GLU 21 CO -0.00 -0.14 0.07 -1.14 -0.54 0.00 0.00 175.26 173.51 1n18 s GLN 22 N 1.04 0.81 0.23 4.30 0.74 0.53 -0.41 119.66 126.91 1n18 s GLN 22 Ca -0.07 -0.92 -0.08 0.00 0.05 0.00 0.00 55.36 54.33 1n18 s GLN 22 Cb -0.08 -2.10 0.21 0.00 1.10 0.00 0.00 33.01 32.13 1n18 s GLN 22 CO -0.07 -0.86 1.90 -0.22 -0.55 0.00 0.00 175.29 175.48 1n18 h LYS 23 N 8.10 1.12 -5.28 1.67 3.64 -1.82 -3.43 116.57 120.57 1n18 h LYS 23 Ca -0.15 -0.07 -0.43 0.00 -1.27 0.00 0.00 60.65 58.74 1n18 h LYS 23 Cb 1.05 -0.25 -0.24 0.00 -0.41 0.00 0.00 32.23 32.38 1n18 h LYS 23 CO 0.43 0.74 -0.79 -1.21 -2.27 0.00 0.00 179.45 176.36 1n18 s GLU 24 N -6.13 0.88 0.55 1.90 0.41 -1.26 -5.03 118.70 110.02 1n18 s GLU 24 Ca -0.13 -0.80 0.28 0.00 -0.41 0.00 0.00 54.97 53.90 1n18 s GLU 24 Cb 0.16 -0.88 1.60 0.00 -1.78 0.00 0.00 34.13 33.24 1n18 s GLU 24 CO 0.80 0.21 2.15 0.66 -0.49 0.00 0.00 175.26 178.59 1n18 h SER 25 N 4.75 0.00 -0.67 -0.19 4.64 -1.97 -0.03 113.55 120.07 1n18 h SER 25 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1n18 h SER 25 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1n18 h SER 25 CO 0.43 0.07 0.00 -0.46 -0.87 0.00 0.00 176.83 176.00 1n18 n ASN 26 N -3.77 4.49 -4.85 4.97 6.94 -1.26 -4.96 115.26 116.82 1n18 n ASN 26 Ca -0.02 -2.30 -0.24 0.00 -0.02 0.00 0.00 54.58 51.99 1n18 n ASN 26 Cb 0.17 -0.55 -0.03 0.00 -2.36 0.00 0.00 39.78 37.01 1n18 n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1n18 s GLY 27 N -0.95 2.29 0.75 4.83 0.00 -0.03 -5.12 107.32 109.10 1n18 s GLY 27 Ca 0.50 -1.68 -0.12 0.00 0.00 0.00 0.00 44.72 43.43 1n18 s GLY 27 CO 0.27 -1.86 1.10 2.56 0.00 0.00 0.00 173.10 175.18 1n18 s PRO 28 N -4.13 2.29 -0.18 2.90 0.04 -1.26 -4.83 135.00 129.83 1n18 s PRO 28 Ca 0.40 1.27 -0.06 0.00 0.04 0.00 0.00 61.00 62.65 1n18 s PRO 28 Cb -0.01 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1n18 s PRO 28 CO 0.24 -1.63 0.02 0.08 0.04 0.00 0.00 177.00 175.75 1n18 s VAL 29 N -2.72 4.28 -0.06 -0.36 1.01 0.59 -4.39 120.40 118.73 1n18 s VAL 29 Ca 0.63 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 1n18 s VAL 29 Cb -0.19 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 1n18 s VAL 29 CO 0.52 0.45 0.48 -0.54 0.00 0.00 0.00 175.10 176.01 1n18 s LYS 30 N 0.61 4.23 -0.15 2.72 1.02 0.46 -1.62 119.74 126.99 1n18 s LYS 30 Ca 0.01 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.48 1n18 s LYS 30 Cb -0.14 -3.36 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1n18 s LYS 30 CO 0.02 0.34 -0.13 0.08 -0.92 0.00 0.00 175.35 174.74 1n18 s VAL 31 N 0.00 1.54 0.05 3.17 1.01 0.12 -1.16 120.40 125.13 1n18 s VAL 31 Ca 0.26 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.45 1n18 s VAL 31 Cb -0.16 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.77 1n18 s VAL 31 CO 0.12 0.42 0.32 -1.66 0.00 0.00 0.00 175.10 174.31 1n18 s TRP 32 N 1.49 -0.13 -5.00 5.22 -2.14 -0.68 0.15 118.94 117.86 1n18 s TRP 32 Ca 0.04 -0.00 0.00 0.00 2.66 0.00 0.00 56.10 58.80 1n18 s TRP 32 Cb -0.13 0.12 0.00 0.00 -3.10 0.00 0.00 33.47 30.36 1n18 s TRP 32 CO -0.10 -0.53 0.00 0.41 -2.66 0.00 0.00 176.95 174.07 1n18 n GLY 33 N 0.51 -0.55 2.95 3.67 0.00 -0.65 -0.25 105.19 110.87 1n18 n GLY 33 Ca -0.18 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 1n18 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n18 s SER 34 N -4.00 0.48 -0.06 1.61 0.15 -1.05 -0.87 113.70 109.96 1n18 s SER 34 Ca 0.00 -0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.55 1n18 s SER 34 Cb 0.00 -0.04 0.01 0.00 -1.71 0.00 0.00 66.02 64.28 1n18 s SER 34 CO 0.00 0.01 -0.14 -0.63 1.20 0.00 0.00 173.24 173.69 1n18 s ILE 35 N -0.26 1.22 0.42 6.45 1.01 -0.74 -1.83 121.20 127.47 1n18 s ILE 35 Ca -0.00 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.16 1n18 s ILE 35 Cb -0.03 -1.09 -0.07 0.00 0.01 0.00 0.00 42.46 41.28 1n18 s ILE 35 CO -0.00 0.37 0.01 -1.59 0.00 0.00 0.00 174.94 173.73 1n18 s LYS 36 N 0.50 1.97 -0.17 2.79 -2.85 0.48 -0.78 119.74 121.68 1n18 s LYS 36 Ca -0.12 -2.14 0.00 0.00 -1.00 0.00 0.00 55.97 52.71 1n18 s LYS 36 Cb -0.15 -1.55 0.00 0.00 -2.06 0.00 0.00 37.83 34.07 1n18 s LYS 36 CO 0.04 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.78 1n18 n GLY 37 N -0.99 0.52 3.92 0.59 0.00 -0.88 -2.10 105.19 106.23 1n18 n GLY 37 Ca -0.07 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 1n18 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n18 s LEU 38 N -0.36 4.32 0.38 0.99 1.43 -0.54 -4.28 118.68 120.61 1n18 s LEU 38 Ca 0.00 0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 53.23 1n18 s LEU 38 Cb 0.00 -3.09 -0.09 0.00 0.03 0.00 0.00 46.19 43.04 1n18 s LEU 38 CO 0.00 0.10 1.02 0.42 0.23 0.00 0.00 176.35 178.12 1n18 s THR 39 N -1.61 3.87 0.31 5.49 -4.23 -1.26 -4.13 115.64 114.09 1n18 s THR 39 Ca 0.37 1.45 -0.29 0.00 -1.18 0.00 0.00 61.69 62.05 1n18 s THR 39 Cb -0.12 -3.76 -0.13 0.00 1.34 0.00 0.00 72.50 69.83 1n18 s THR 39 CO 0.27 0.03 1.29 1.21 -0.54 0.00 0.00 174.62 176.88 1n18 n GLU 40 N 0.08 2.04 0.00 3.99 2.13 -1.26 -4.64 120.64 122.97 1n18 n GLU 40 Ca 0.04 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.58 1n18 n GLU 40 Cb 0.50 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.91 1n18 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n18 n GLY 41 N 1.15 0.33 3.78 8.31 0.00 -0.27 -4.92 105.19 113.56 1n18 n GLY 41 Ca 0.07 -2.29 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 1n18 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n18 s LEU 42 N 0.00 4.46 -0.04 0.99 1.43 -1.26 -0.95 118.68 123.30 1n18 s LEU 42 Ca 0.00 1.79 -0.01 0.00 -1.03 0.00 0.00 54.13 54.88 1n18 s LEU 42 Cb 0.00 -3.76 0.03 0.00 0.03 0.00 0.00 46.19 42.49 1n18 s LEU 42 CO 0.00 0.04 0.07 -1.00 0.23 0.00 0.00 176.35 175.69 1n18 s HIS 43 N -1.43 -0.02 0.50 0.29 3.76 -0.64 -3.25 115.29 114.50 1n18 s HIS 43 Ca 0.45 0.27 -0.21 0.00 -0.15 0.00 0.00 55.06 55.41 1n18 s HIS 43 Cb -0.21 -0.27 -0.09 0.00 1.11 0.00 0.00 32.58 33.12 1n18 s HIS 43 CO 0.26 -0.14 0.91 0.41 -0.85 0.00 0.00 174.74 175.33 1n18 n GLY 44 N 4.56 -0.46 2.70 -2.22 0.00 0.43 -1.73 105.19 108.48 1n18 n GLY 44 Ca -0.20 0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 1n18 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n18 s PHE 45 N -1.42 -0.15 0.10 1.61 5.36 0.05 -0.59 117.98 122.94 1n18 s PHE 45 Ca 0.68 -0.03 -0.03 0.00 -0.96 0.00 0.00 56.93 56.59 1n18 s PHE 45 Cb -0.50 -0.49 -0.03 0.00 -0.34 0.00 0.00 43.02 41.67 1n18 s PHE 45 CO 0.53 -0.64 0.08 -1.01 -1.46 0.00 0.00 175.22 172.72 1n18 s HIS 46 N 2.27 0.58 -0.27 10.12 3.76 -0.70 -2.73 115.29 128.32 1n18 s HIS 46 Ca 0.06 -1.02 -0.12 0.00 -0.15 0.00 0.00 55.06 53.84 1n18 s HIS 46 Cb -0.16 -0.33 -0.05 0.00 1.11 0.00 0.00 32.58 33.16 1n18 s HIS 46 CO -0.16 -0.50 0.22 0.08 -0.85 0.00 0.00 174.74 173.52 1n18 s VAL 47 N -3.97 5.30 0.26 -0.90 1.01 -0.07 -0.44 120.40 121.59 1n18 s VAL 47 Ca 0.15 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.37 1n18 s VAL 47 Cb 0.07 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1n18 s VAL 47 CO -0.04 0.25 0.45 -1.00 0.00 0.00 0.00 175.10 174.76 1n18 s HIS 48 N 1.66 3.48 0.20 5.22 3.76 0.27 -1.12 115.29 128.75 1n18 s HIS 48 Ca 0.09 0.33 -0.12 0.00 -0.15 0.00 0.00 55.06 55.21 1n18 s HIS 48 Cb -0.15 -1.86 0.23 0.00 1.11 0.00 0.00 32.58 31.91 1n18 s HIS 48 CO 0.10 0.29 1.71 1.49 -0.85 0.00 0.00 174.74 177.47 1n18 h GLU 49 N 1.50 0.21 -5.82 1.40 4.81 -0.72 -2.53 114.58 113.43 1n18 h GLU 49 Ca -0.49 -0.01 -0.67 0.00 -0.13 0.00 0.00 59.36 58.06 1n18 h GLU 49 Cb 1.20 -0.05 -0.17 0.00 0.63 0.00 0.00 28.75 30.37 1n18 h GLU 49 CO 0.65 0.14 -0.64 -0.06 -0.73 0.00 0.00 179.01 178.37 1n18 s PHE 50 N -6.13 3.10 -0.83 0.92 0.08 -0.30 -4.68 117.98 110.14 1n18 s PHE 50 Ca -0.13 0.06 -0.04 0.00 0.12 0.00 0.00 56.93 56.94 1n18 s PHE 50 Cb 0.16 -1.83 0.10 0.00 -0.57 0.00 0.00 43.02 40.89 1n18 s PHE 50 CO 0.73 0.33 2.57 0.41 -0.10 0.00 0.00 175.22 179.16 1n18 n GLY 51 N 2.52 4.79 3.14 4.36 0.00 -1.06 -3.73 105.19 115.21 1n18 n GLY 51 Ca -0.18 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.51 1n18 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n18 s ASP 52 N 0.26 4.41 -0.26 1.61 3.68 -1.26 -4.95 116.67 120.16 1n18 s ASP 52 Ca 0.56 -1.14 0.12 0.00 2.13 0.00 0.00 52.55 54.22 1n18 s ASP 52 Cb 0.30 -1.62 0.53 0.00 -1.45 0.00 0.00 42.92 40.68 1n18 s ASP 52 CO -0.18 -0.17 1.49 -3.20 0.13 0.00 0.00 175.17 173.24 1n18 n ASN 53 N 4.57 3.21 0.25 -0.34 4.05 -1.26 -2.92 115.26 122.82 1n18 n ASN 53 Ca -0.15 -3.44 0.08 0.00 0.45 0.00 0.00 54.58 51.52 1n18 n ASN 53 Cb 0.45 -0.62 0.61 0.00 1.23 0.00 0.00 39.78 41.45 1n18 n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1n18 h THR 54 N 1.37 0.98 -1.11 -0.44 1.35 -1.93 -2.80 112.91 110.34 1n18 h THR 54 Ca 0.16 -0.35 -0.50 0.00 -0.55 0.00 0.00 66.41 65.17 1n18 h THR 54 Cb 1.67 1.19 -0.42 0.00 -1.73 0.00 0.00 68.15 68.87 1n18 h THR 54 CO 0.38 0.10 -0.88 0.00 -0.25 0.00 0.00 175.52 174.87 1n18 n ALA 55 N -2.48 4.51 -0.47 6.62 0.00 -1.26 -5.06 120.51 122.36 1n18 n ALA 55 Ca -0.03 -3.81 0.00 0.00 0.00 0.00 0.00 53.44 49.60 1n18 n ALA 55 Cb 0.18 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1n18 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n18 n GLY 56 N -0.48 -0.27 0.26 0.00 0.00 -1.06 -3.49 105.19 100.16 1n18 n GLY 56 Ca 0.32 -1.06 0.18 0.00 0.00 0.00 0.00 46.02 45.46 1n18 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n18 h THR 58 N 0.00 1.20 0.00 0.00 2.02 -1.90 -2.57 112.91 111.66 1n18 h THR 58 Ca 0.00 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1n18 h THR 58 Cb 0.31 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1n18 h THR 58 CO 0.00 0.23 0.00 -1.54 0.37 0.00 0.00 175.52 174.58 1n18 n SER 59 N -4.36 0.00 0.00 4.18 3.41 -1.15 -3.04 113.62 112.66 1n18 n SER 59 Ca 0.06 -0.34 0.08 0.00 -0.26 0.00 0.00 58.87 58.42 1n18 n SER 59 Cb 0.11 -0.14 0.40 0.00 -0.26 0.00 0.00 64.21 64.32 1n18 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n18 n ALA 60 N -1.14 1.85 -0.38 7.33 0.00 -0.97 -4.49 120.51 122.70 1n18 n ALA 60 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1n18 n ALA 60 Cb 0.12 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1n18 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n18 n GLY 61 N 0.26 -1.01 2.98 0.00 0.00 -1.17 -1.15 105.19 105.10 1n18 n GLY 61 Ca 0.06 -1.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.67 1n18 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n18 n PRO 62 N -0.31 -1.16 -1.96 1.61 -0.04 -1.26 -4.65 135.00 127.23 1n18 n PRO 62 Ca 0.00 -1.58 -0.40 0.00 -0.04 0.00 0.00 63.50 61.48 1n18 n PRO 62 Cb 0.00 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1n18 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1n18 s HIS 63 N -3.20 2.71 -0.15 0.54 3.76 -1.26 -0.38 115.29 117.31 1n18 s HIS 63 Ca 0.58 1.34 -0.30 0.00 -0.15 0.00 0.00 55.06 56.54 1n18 s HIS 63 Cb -0.02 -3.79 -0.07 0.00 1.11 0.00 0.00 32.58 29.81 1n18 s HIS 63 CO 0.41 -2.42 2.13 0.34 -0.85 0.00 0.00 174.74 174.35 1n18 n PHE 64 N 0.14 2.12 -3.19 1.40 -0.00 -0.28 -4.39 117.46 113.25 1n18 n PHE 64 Ca 0.03 -0.17 -0.23 0.00 -0.00 0.00 0.00 57.45 57.09 1n18 n PHE 64 Cb 0.42 -2.73 -0.06 0.00 -0.00 0.00 0.00 39.48 37.11 1n18 n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1n18 n ASN 65 N 10.09 0.47 0.25 -2.13 5.15 -1.26 -1.93 115.26 125.91 1n18 n ASN 65 Ca 0.27 -2.80 0.10 0.00 -0.60 0.00 0.00 54.58 51.55 1n18 n ASN 65 Cb 0.41 -0.64 0.65 0.00 -0.53 0.00 0.00 39.78 39.68 1n18 n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1n18 h PRO 66 N 3.76 0.00 -0.53 1.20 0.13 -1.94 -2.43 132.00 132.19 1n18 h PRO 66 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1n18 h PRO 66 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1n18 h PRO 66 CO 0.48 0.13 0.00 1.28 -0.23 0.00 0.00 178.00 179.66 1n18 n LEU 67 N -4.00 2.67 -3.99 1.56 4.77 -1.26 -4.95 117.00 111.80 1n18 n LEU 67 Ca -0.02 -1.34 -0.43 0.00 -0.03 0.00 0.00 56.01 54.18 1n18 n LEU 67 Cb 0.21 -0.38 0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1n18 n LEU 67 CO 0.33 0.53 -0.14 -1.20 -1.33 0.00 0.00 177.39 175.57 1n18 n SER 68 N 0.60 -4.43 -4.44 -1.43 7.64 -0.92 -4.98 113.62 105.67 1n18 n SER 68 Ca 0.14 -1.24 -0.27 0.00 1.01 0.00 0.00 58.87 58.52 1n18 n SER 68 Cb 0.48 -2.05 -0.04 0.00 -1.01 0.00 0.00 64.21 61.60 1n18 n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1n18 n ARG 69 N -4.85 0.85 -2.72 1.43 1.74 -1.26 -5.14 116.66 106.72 1n18 n ARG 69 Ca -0.11 -3.22 -0.28 0.00 -0.77 0.00 0.00 57.85 53.47 1n18 n ARG 69 Cb 0.57 0.68 -0.01 0.00 -1.02 0.00 0.00 32.46 32.69 1n18 n ARG 69 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1n18 s LYS 70 N -3.77 3.58 0.41 5.56 -0.14 -1.26 -4.79 119.74 119.33 1n18 s LYS 70 Ca 0.10 0.21 -0.25 0.00 -1.36 0.00 0.00 55.97 54.67 1n18 s LYS 70 Cb -0.01 -2.40 -0.08 0.00 -1.68 0.00 0.00 37.83 33.66 1n18 s LYS 70 CO 0.06 -0.15 1.23 -1.58 -0.76 0.00 0.00 175.35 174.15 1n18 s HIS 71 N -2.65 2.92 0.00 3.18 5.65 0.23 -3.25 115.29 121.37 1n18 s HIS 71 Ca 0.47 1.48 0.00 0.00 0.25 0.00 0.00 55.06 57.27 1n18 s HIS 71 Cb -0.10 -3.53 0.00 0.00 -1.18 0.00 0.00 32.58 27.77 1n18 s HIS 71 CO 0.42 -1.72 0.00 0.41 -0.65 0.00 0.00 174.74 173.20 1n18 n GLY 72 N 0.65 2.78 3.97 1.59 0.00 -1.26 -4.34 105.19 108.58 1n18 n GLY 72 Ca 0.04 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 1n18 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n18 s GLY 73 N -0.78 1.31 0.55 -0.02 0.00 -1.20 -4.62 107.32 102.56 1n18 s GLY 73 Ca 0.00 -1.19 0.31 0.00 0.00 0.00 0.00 44.72 43.83 1n18 s GLY 73 CO 0.00 -1.17 1.89 -0.56 0.00 0.00 0.00 173.10 173.25 1n18 h PRO 74 N 1.01 0.00 0.00 2.90 0.13 -1.86 -0.89 132.00 133.28 1n18 h PRO 74 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1n18 h PRO 74 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1n18 h PRO 74 CO 0.60 0.00 -0.19 1.63 -0.23 0.00 0.00 178.00 179.80 1n18 n LYS 75 N -4.13 0.27 -2.09 0.86 5.02 -1.26 -4.89 118.16 111.94 1n18 n LYS 75 Ca 0.16 0.18 -0.32 0.00 -2.02 0.00 0.00 58.31 56.30 1n18 n LYS 75 Cb 0.88 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 1n18 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1n18 s ASP 76 N -4.43 5.93 0.00 4.39 -0.00 -0.34 -4.96 116.67 117.25 1n18 s ASP 76 Ca 0.09 1.76 -0.07 0.00 -0.00 0.00 0.00 52.55 54.34 1n18 s ASP 76 Cb 0.13 -2.53 -0.29 0.00 -0.00 0.00 0.00 42.92 40.23 1n18 s ASP 76 CO 0.64 -1.07 0.86 -0.08 -0.00 0.00 0.00 175.17 175.52 1n18 h GLU 77 N 0.47 0.32 -5.51 8.23 4.22 -1.90 -3.40 114.58 117.01 1n18 h GLU 77 Ca -0.47 -0.55 -0.62 0.00 0.08 0.00 0.00 59.36 57.80 1n18 h GLU 77 Cb 1.21 0.20 -0.14 0.00 0.50 0.00 0.00 28.75 30.53 1n18 h GLU 77 CO 0.58 1.21 0.58 -2.00 -2.18 0.00 0.00 179.01 177.20 1n18 s GLU 78 N -2.61 3.12 0.18 1.92 2.56 -1.26 -4.95 118.70 117.65 1n18 s GLU 78 Ca -0.10 -0.79 -0.23 0.00 0.00 0.00 0.00 54.97 53.85 1n18 s GLU 78 Cb 0.06 -4.22 0.06 0.00 2.00 0.00 0.00 34.13 32.03 1n18 s GLU 78 CO 0.87 -1.84 0.74 -0.98 -0.56 0.00 0.00 175.26 173.49 1n18 s ARG 79 N 4.18 1.37 0.37 4.30 1.04 -1.20 -3.99 118.95 125.03 1n18 s ARG 79 Ca 0.23 -0.65 -0.20 0.00 -1.04 0.00 0.00 55.73 54.07 1n18 s ARG 79 Cb -0.16 0.54 -0.10 0.00 -2.04 0.00 0.00 34.95 33.18 1n18 s ARG 79 CO 0.11 -0.62 0.88 -1.01 -0.04 0.00 0.00 175.30 174.62 1n18 s HIS 80 N -3.64 3.40 0.37 5.89 3.76 -1.22 -4.71 115.29 119.14 1n18 s HIS 80 Ca 0.07 1.53 0.06 0.00 -0.15 0.00 0.00 55.06 56.57 1n18 s HIS 80 Cb -0.03 -2.77 0.77 0.00 1.11 0.00 0.00 32.58 31.67 1n18 s HIS 80 CO -0.03 0.02 1.97 0.28 -0.85 0.00 0.00 174.74 176.13 1n18 h VAL 81 N 2.08 1.03 0.00 -0.90 2.07 -1.85 -1.46 116.25 117.21 1n18 h VAL 81 Ca -0.48 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1n18 h VAL 81 Cb 1.18 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1n18 h VAL 81 CO 0.63 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1n18 n GLY 82 N -1.46 -0.98 3.55 2.17 0.00 -0.81 -4.34 105.19 103.32 1n18 n GLY 82 Ca 0.09 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1n18 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n18 s ASP 83 N -1.45 6.20 -0.05 1.61 1.01 -0.55 -0.89 116.67 122.55 1n18 s ASP 83 Ca 0.21 -0.63 0.19 0.00 0.71 0.00 0.00 52.55 53.02 1n18 s ASP 83 Cb 0.09 -2.56 0.60 0.00 1.01 0.00 0.00 42.92 42.06 1n18 s ASP 83 CO 0.16 -1.79 1.51 0.18 0.21 0.00 0.00 175.17 175.44 1n18 n LEU 84 N 9.38 4.02 0.00 1.23 4.77 -1.10 -3.57 117.00 131.73 1n18 n LEU 84 Ca 0.10 -2.20 0.00 0.00 -0.03 0.00 0.00 56.01 53.87 1n18 n LEU 84 Cb 0.49 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1n18 n LEU 84 CO 0.70 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 178.24 1n18 n GLY 85 N 1.14 0.99 3.34 -0.72 0.00 -1.22 -4.79 105.19 103.94 1n18 n GLY 85 Ca 0.22 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 1n18 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n18 s ASN 86 N -4.00 2.57 0.17 1.61 0.01 -1.26 -0.77 114.94 113.27 1n18 s ASN 86 Ca 0.00 -1.00 0.11 0.00 -0.71 0.00 0.00 52.86 51.26 1n18 s ASN 86 Cb 0.00 -0.14 -0.04 0.00 0.41 0.00 0.00 41.25 41.48 1n18 s ASN 86 CO 0.00 -0.16 -0.23 0.68 -1.51 0.00 0.00 177.10 175.88 1n18 s VAL 87 N -2.86 2.18 -0.16 1.60 -7.23 -0.71 -4.91 120.40 108.32 1n18 s VAL 87 Ca 0.21 -1.94 -0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1n18 s VAL 87 Cb -0.01 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.91 1n18 s VAL 87 CO 0.07 -0.13 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.72 1n18 s THR 88 N -1.63 2.94 -0.14 5.32 2.01 -1.26 -1.62 115.64 121.26 1n18 s THR 88 Ca 0.18 -0.67 -0.14 0.00 0.31 0.00 0.00 61.69 61.36 1n18 s THR 88 Cb -0.08 -2.27 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 1n18 s THR 88 CO 0.08 0.50 0.33 0.00 -0.69 0.00 0.00 174.62 174.84 1n18 s ALA 89 N 0.84 3.59 1.03 7.40 0.00 -0.13 -4.14 121.76 130.36 1n18 s ALA 89 Ca -0.04 -0.40 -0.09 0.00 0.00 0.00 0.00 51.96 51.43 1n18 s ALA 89 Cb -0.15 -2.41 0.13 0.00 0.00 0.00 0.00 23.12 20.69 1n18 s ALA 89 CO 0.00 0.13 0.68 -0.40 0.00 0.00 0.00 175.76 176.17 1n18 n ASP 90 N 3.37 -0.36 0.29 0.00 3.85 0.33 -1.12 116.55 122.91 1n18 n ASP 90 Ca -0.12 -1.15 0.17 0.00 -0.71 0.00 0.00 54.79 52.98 1n18 n ASP 90 Cb 0.52 -0.54 0.90 0.00 -1.35 0.00 0.00 41.12 40.65 1n18 n ASP 90 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 1n18 h LYS 91 N 0.00 0.00 -0.00 0.11 2.10 -1.97 -1.38 116.57 115.43 1n18 h LYS 91 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 1n18 h LYS 91 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1n18 h LYS 91 CO 0.16 0.05 -0.01 -0.25 -2.00 0.00 0.00 179.45 177.39 1n18 n ASP 92 N -3.41 0.13 0.00 7.07 10.43 -1.26 -4.88 116.55 124.63 1n18 n ASP 92 Ca -0.02 -0.65 0.00 0.00 2.57 0.00 0.00 54.79 56.69 1n18 n ASP 92 Cb 0.18 -0.11 0.00 0.00 1.84 0.00 0.00 41.12 43.02 1n18 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n18 n GLY 93 N 1.15 0.57 3.33 0.44 0.00 -0.52 -4.84 105.19 105.32 1n18 n GLY 93 Ca 0.19 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1n18 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n18 s VAL 94 N -2.00 2.53 -0.26 1.61 1.01 -1.26 -1.46 120.40 120.57 1n18 s VAL 94 Ca 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1n18 s VAL 94 Cb 0.00 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.41 1n18 s VAL 94 CO 0.00 0.56 0.01 0.00 0.00 0.00 0.00 175.10 175.67 1n18 s ALA 95 N -0.06 2.89 -0.77 5.51 0.00 0.04 -0.51 121.76 128.86 1n18 s ALA 95 Ca -0.05 -1.39 -0.19 0.00 0.00 0.00 0.00 51.96 50.34 1n18 s ALA 95 Cb -0.14 -1.90 0.12 0.00 0.00 0.00 0.00 23.12 21.20 1n18 s ALA 95 CO 0.04 -0.77 0.93 -0.51 0.00 0.00 0.00 175.76 175.45 1n18 s ASP 96 N 1.44 6.44 0.19 0.00 1.11 -1.26 -1.78 116.67 122.80 1n18 s ASP 96 Ca 0.03 -1.76 -0.30 0.00 0.18 0.00 0.00 52.55 50.69 1n18 s ASP 96 Cb -0.16 -2.35 -0.08 0.00 1.07 0.00 0.00 42.92 41.40 1n18 s ASP 96 CO -0.01 -1.08 1.18 -0.69 1.18 0.00 0.00 175.17 175.74 1n18 s VAL 97 N 2.61 3.60 -0.29 -1.27 1.01 -0.05 -4.92 120.40 121.09 1n18 s VAL 97 Ca 0.23 1.37 0.05 0.00 0.00 0.00 0.00 61.98 63.63 1n18 s VAL 97 Cb -0.13 -3.87 0.19 0.00 0.00 0.00 0.00 36.38 32.56 1n18 s VAL 97 CO -0.01 0.23 0.55 -0.55 0.00 0.00 0.00 175.10 175.32 1n18 s SER 98 N 0.03 -1.23 0.08 3.32 0.15 -1.24 -1.64 113.70 113.17 1n18 s SER 98 Ca 0.52 0.09 0.03 0.00 0.70 0.00 0.00 55.95 57.28 1n18 s SER 98 Cb -0.32 1.85 -0.03 0.00 -1.71 0.00 0.00 66.02 65.81 1n18 s SER 98 CO 0.37 -0.31 -0.09 -0.63 1.20 0.00 0.00 173.24 173.78 1n18 s ILE 99 N 2.77 0.77 -0.04 6.45 1.01 0.12 -5.00 121.20 127.28 1n18 s ILE 99 Ca 0.10 -1.50 0.01 0.00 0.00 0.00 0.00 60.65 59.27 1n18 s ILE 99 Cb -0.11 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.22 1n18 s ILE 99 CO -0.27 -0.55 -0.06 -0.70 0.00 0.00 0.00 174.94 173.37 1n18 s GLU 100 N -2.55 0.93 -0.03 2.79 2.12 -1.26 0.11 118.70 120.80 1n18 s GLU 100 Ca 0.01 -0.15 -0.03 0.00 0.36 0.00 0.00 54.97 55.16 1n18 s GLU 100 Cb -0.04 -0.89 0.01 0.00 0.26 0.00 0.00 34.13 33.47 1n18 s GLU 100 CO -0.01 -0.06 0.09 0.34 -0.54 0.00 0.00 175.26 175.09 1n18 s ASP 101 N 0.84 -0.09 0.00 -1.70 -1.08 -0.64 -4.96 116.67 109.04 1n18 s ASP 101 Ca -0.12 0.16 0.13 0.00 -0.52 0.00 0.00 52.55 52.21 1n18 s ASP 101 Cb -0.14 0.19 0.36 0.00 -1.46 0.00 0.00 42.92 41.87 1n18 s ASP 101 CO 0.01 -0.05 1.29 -1.20 0.52 0.00 0.00 175.17 175.74 1n18 n SER 102 N 2.95 3.08 -0.12 -0.34 7.64 -1.26 -0.30 113.62 125.27 1n18 n SER 102 Ca -0.13 -1.96 -0.21 0.00 1.01 0.00 0.00 58.87 57.57 1n18 n SER 102 Cb 0.59 -0.27 -0.12 0.00 -1.01 0.00 0.00 64.21 63.41 1n18 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1n18 n VAL 103 N 0.77 1.54 -1.62 0.44 0.31 -1.26 -4.90 118.33 113.60 1n18 n VAL 103 Ca 0.14 -0.52 -0.31 0.00 -0.01 0.00 0.00 64.34 63.64 1n18 n VAL 103 Cb 0.46 -1.58 0.04 0.00 -0.91 0.00 0.00 33.84 31.85 1n18 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1n18 s ILE 104 N -2.52 4.10 0.14 2.52 -4.36 -1.26 -4.91 121.20 114.92 1n18 s ILE 104 Ca -0.34 0.68 -0.10 0.00 -0.26 0.00 0.00 60.65 60.63 1n18 s ILE 104 Cb 0.10 -3.47 0.00 0.00 1.25 0.00 0.00 42.46 40.34 1n18 s ILE 104 CO 0.60 -0.89 0.29 -0.55 0.24 0.00 0.00 174.94 174.63 1n18 s SER 105 N -3.87 0.01 -0.06 4.36 0.15 -1.10 -4.64 113.70 108.55 1n18 s SER 105 Ca 0.58 -0.72 0.18 0.00 0.70 0.00 0.00 55.95 56.70 1n18 s SER 105 Cb -0.13 0.43 0.62 0.00 -1.71 0.00 0.00 66.02 65.22 1n18 s SER 105 CO 0.55 -0.86 1.53 0.18 1.20 0.00 0.00 173.24 175.84 1n18 n LEU 106 N -0.18 4.15 -3.45 3.45 4.77 -1.26 -1.13 117.00 123.35 1n18 n LEU 106 Ca -0.11 -2.26 -0.12 0.00 -0.03 0.00 0.00 56.01 53.50 1n18 n LEU 106 Cb 0.63 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1n18 n LEU 106 CO 0.22 0.85 0.47 -0.94 -1.33 0.00 0.00 177.39 176.67 1n18 s SER 107 N -1.02 -0.53 0.00 -1.43 1.04 -1.26 -3.60 113.70 106.90 1n18 s SER 107 Ca 0.45 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1n18 s SER 107 Cb 0.27 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.93 1n18 s SER 107 CO 0.25 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1n18 n GLY 108 N -0.24 -1.95 0.28 7.32 0.00 -1.26 -3.69 105.19 105.64 1n18 n GLY 108 Ca -0.15 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.43 1n18 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1n18 h ASP 109 N 0.00 0.00 -0.69 1.61 3.45 -2.01 -1.87 116.42 116.90 1n18 h ASP 109 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1n18 h ASP 109 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1n18 h ASP 109 CO 0.00 0.02 0.00 1.41 -1.57 0.00 0.00 179.24 179.10 1n18 n HIS 110 N -3.96 1.09 -1.77 4.55 8.25 -1.26 -4.99 115.22 117.13 1n18 n HIS 110 Ca -0.03 -0.53 -0.41 0.00 -0.26 0.00 0.00 57.72 56.49 1n18 n HIS 110 Cb 0.11 -0.07 -0.00 0.00 1.12 0.00 0.00 29.99 31.15 1n18 n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1n18 n SER 111 N 1.45 3.85 -1.00 0.41 2.88 -0.71 -2.70 113.62 117.80 1n18 n SER 111 Ca 0.24 1.21 0.10 0.00 -1.33 0.00 0.00 58.87 59.10 1n18 n SER 111 Cb 0.69 -1.62 0.17 0.00 -0.75 0.00 0.00 64.21 62.70 1n18 n SER 111 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1n18 n ILE 112 N 0.80 0.43 -1.95 2.46 -5.35 -0.28 -4.90 119.36 110.58 1n18 n ILE 112 Ca 0.03 -0.72 -0.42 0.00 -0.27 0.00 0.00 62.75 61.37 1n18 n ILE 112 Cb 0.38 1.03 -0.03 0.00 -1.74 0.00 0.00 39.64 39.29 1n18 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1n18 s ILE 113 N -1.42 2.72 0.00 7.28 -1.09 -1.26 -1.88 121.20 125.55 1n18 s ILE 113 Ca 0.33 0.48 0.00 0.00 -2.23 0.00 0.00 60.65 59.23 1n18 s ILE 113 Cb 0.20 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 1n18 s ILE 113 CO 0.28 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 1n18 n GLY 114 N 3.78 0.79 1.00 6.18 0.00 0.49 -5.01 105.19 112.41 1n18 n GLY 114 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 1n18 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n18 n ARG 115 N -2.19 1.15 -5.10 1.61 1.74 -0.79 -2.55 116.66 110.53 1n18 n ARG 115 Ca 0.00 -0.86 -0.32 0.00 -0.77 0.00 0.00 57.85 55.90 1n18 n ARG 115 Cb 0.00 0.04 -0.16 0.00 -1.02 0.00 0.00 32.46 31.32 1n18 n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1n18 s THR 116 N -0.43 2.37 -0.10 0.55 2.01 -0.95 -0.34 115.64 118.74 1n18 s THR 116 Ca 0.11 -0.93 -0.17 0.00 0.31 0.00 0.00 61.69 61.01 1n18 s THR 116 Cb -0.01 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1n18 s THR 116 CO 0.07 0.56 0.45 -0.22 -0.69 0.00 0.00 174.62 174.78 1n18 s LEU 117 N 0.13 4.30 -0.02 4.42 2.96 -0.38 0.93 118.68 131.03 1n18 s LEU 117 Ca -0.11 0.80 0.04 0.00 -0.22 0.00 0.00 54.13 54.65 1n18 s LEU 117 Cb -0.16 -2.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 1n18 s LEU 117 CO 0.06 0.06 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.32 1n18 s VAL 118 N 0.36 1.12 -0.11 1.68 1.01 0.42 -1.96 120.40 122.92 1n18 s VAL 118 Ca 0.25 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1n18 s VAL 118 Cb -0.15 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1n18 s VAL 118 CO 0.10 0.32 -0.16 0.54 0.00 0.00 0.00 175.10 175.90 1n18 s VAL 119 N -0.20 2.82 0.36 2.92 0.11 -0.63 -1.72 120.40 124.06 1n18 s VAL 119 Ca 0.03 -0.76 0.05 0.00 -2.93 0.00 0.00 61.98 58.36 1n18 s VAL 119 Cb -0.07 -2.14 -0.01 0.00 -1.53 0.00 0.00 36.38 32.63 1n18 s VAL 119 CO -0.00 0.54 0.52 -1.00 -3.33 0.00 0.00 175.10 171.83 1n18 s HIS 120 N 0.12 3.17 0.10 1.54 3.76 0.24 -1.46 115.29 122.76 1n18 s HIS 120 Ca -0.08 -0.08 -0.19 0.00 -0.15 0.00 0.00 55.06 54.56 1n18 s HIS 120 Cb -0.15 -2.05 -0.07 0.00 1.11 0.00 0.00 32.58 31.42 1n18 s HIS 120 CO 0.05 -0.07 1.60 1.49 -0.85 0.00 0.00 174.74 176.96 1n18 h GLU 121 N 0.78 0.40 -5.54 1.40 4.81 -0.77 -3.38 114.58 112.29 1n18 h GLU 121 Ca -0.46 -0.09 -0.63 0.00 -0.13 0.00 0.00 59.36 58.04 1n18 h GLU 121 Cb 1.25 -0.06 -0.09 0.00 0.63 0.00 0.00 28.75 30.48 1n18 h GLU 121 CO 0.55 0.49 -0.42 0.15 -0.73 0.00 0.00 179.01 179.05 1n18 s LYS 122 N -5.34 2.22 0.49 1.92 1.02 0.14 -4.90 119.74 115.29 1n18 s LYS 122 Ca -0.14 -2.22 -0.20 0.00 0.02 0.00 0.00 55.97 53.44 1n18 s LYS 122 Cb 0.08 -1.79 -0.08 0.00 -0.52 0.00 0.00 37.83 35.51 1n18 s LYS 122 CO 0.73 -0.47 1.02 0.00 -0.92 0.00 0.00 175.35 175.71 1n18 s ALA 123 N -2.83 2.89 -0.17 5.17 0.00 -1.20 -0.43 121.76 125.20 1n18 s ALA 123 Ca 0.19 0.54 -0.19 0.00 0.00 0.00 0.00 51.96 52.50 1n18 s ALA 123 Cb -0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1n18 s ALA 123 CO 0.11 -0.28 0.53 0.34 0.00 0.00 0.00 175.76 176.46 1n18 s ASP 124 N -2.14 6.63 -0.00 0.00 3.68 -1.26 -3.84 116.67 119.73 1n18 s ASP 124 Ca 0.66 0.75 0.04 0.00 2.13 0.00 0.00 52.55 56.13 1n18 s ASP 124 Cb -0.15 -2.30 0.11 0.00 -1.45 0.00 0.00 42.92 39.13 1n18 s ASP 124 CO 0.21 -0.15 1.04 -0.90 0.13 0.00 0.00 175.17 175.51 1n18 n ASP 125 N 4.51 0.79 -2.19 -0.34 3.85 0.32 -4.88 116.55 118.61 1n18 n ASP 125 Ca -0.05 -2.02 -0.18 0.00 -0.71 0.00 0.00 54.79 51.84 1n18 n ASP 125 Cb 0.51 -0.14 -0.03 0.00 -1.35 0.00 0.00 41.12 40.11 1n18 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1n18 n LEU 126 N -0.11 -1.57 -0.07 -2.12 4.77 -1.26 -2.07 117.00 114.57 1n18 n LEU 126 Ca 0.04 0.15 -0.01 0.00 -0.03 0.00 0.00 56.01 56.17 1n18 n LEU 126 Cb 0.14 -2.62 -0.00 0.00 -2.33 0.00 0.00 43.42 38.60 1n18 n LEU 126 CO 0.03 -0.37 -0.01 0.61 -1.33 0.00 0.00 177.39 176.32 1n18 n GLY 127 N -0.79 0.49 1.11 -0.72 0.00 -1.25 -3.24 105.19 100.79 1n18 n GLY 127 Ca -0.20 -0.50 0.01 0.00 0.00 0.00 0.00 46.02 45.33 1n18 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n18 n LYS 128 N -2.80 2.51 0.16 1.61 5.02 -0.88 -4.65 118.16 119.12 1n18 n LYS 128 Ca -0.01 -2.99 0.12 0.00 -2.02 0.00 0.00 58.31 53.41 1n18 n LYS 128 Cb 0.05 -1.87 0.25 0.00 -0.02 0.00 0.00 35.03 33.45 1n18 n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1n18 h GLY 129 N 1.49 0.00 0.00 0.72 0.00 -1.90 -3.48 103.07 99.90 1n18 h GLY 129 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1n18 h GLY 129 CO 0.35 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.50 1n18 n GLY 130 N 1.21 0.92 3.51 4.60 0.00 -1.26 -5.00 105.19 109.18 1n18 n GLY 130 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1n18 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n18 s ASN 131 N -2.94 3.56 0.18 1.61 2.20 -1.26 -5.04 114.94 113.24 1n18 s ASN 131 Ca 0.00 -1.17 -0.14 0.00 -0.94 0.00 0.00 52.86 50.61 1n18 s ASN 131 Cb 0.00 -0.31 0.14 0.00 -2.00 0.00 0.00 41.25 39.08 1n18 s ASN 131 CO 0.00 -0.19 1.75 -0.08 -2.94 0.00 0.00 177.10 175.64 1n18 h GLU 132 N 2.10 0.34 -0.59 3.55 4.57 -2.00 -1.88 114.58 120.67 1n18 h GLU 132 Ca -0.41 -0.02 0.11 0.00 -1.18 0.00 0.00 59.36 57.86 1n18 h GLU 132 Cb 1.25 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 1n18 h GLU 132 CO 0.68 0.22 0.40 1.49 -1.18 0.00 0.00 179.01 180.63 1n18 h GLU 133 N 0.35 0.31 -0.88 1.92 4.57 -1.99 -0.93 114.58 117.92 1n18 h GLU 133 Ca 0.22 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1n18 h GLU 133 Cb 0.22 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1n18 h GLU 133 CO -0.22 0.21 0.55 1.03 -1.18 0.00 0.00 179.01 179.39 1n18 h SER 134 N 0.32 1.04 0.00 1.04 0.87 -1.68 0.21 113.55 115.36 1n18 h SER 134 Ca 0.28 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1n18 h SER 134 Cb 0.66 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1n18 h SER 134 CO -0.07 0.79 0.00 0.35 -0.53 0.00 0.00 176.83 177.37 1n18 n THR 135 N -4.43 0.00 -0.03 2.23 -2.24 -0.36 -2.13 114.28 107.32 1n18 n THR 135 Ca 0.09 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.80 1n18 n THR 135 Cb 0.04 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 67.69 1n18 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1n18 n LYS 136 N -1.00 0.16 0.00 -0.78 5.02 -0.61 -0.60 118.16 120.35 1n18 n LYS 136 Ca 0.21 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1n18 n LYS 136 Cb 0.10 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 1n18 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1n18 n THR 137 N -3.37 0.00 -1.02 -0.18 -2.24 0.65 -4.69 114.28 103.42 1n18 n THR 137 Ca -0.14 -0.35 -0.01 0.00 -2.27 0.00 0.00 64.05 61.28 1n18 n THR 137 Cb 0.57 1.09 -0.00 0.00 -2.10 0.00 0.00 70.33 69.89 1n18 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n18 n GLY 138 N 0.48 0.47 2.94 3.38 0.00 -0.90 -3.28 105.19 108.28 1n18 n GLY 138 Ca 0.00 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 1n18 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n18 n ASN 139 N 0.25 -5.98 0.00 1.61 3.02 -1.25 -0.52 115.26 112.39 1n18 n ASN 139 Ca -0.01 -0.25 0.11 0.00 -0.03 0.00 0.00 54.58 54.40 1n18 n ASN 139 Cb 0.09 -4.86 0.56 0.00 -0.61 0.00 0.00 39.78 34.96 1n18 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n18 n ALA 140 N -3.32 2.14 -0.40 5.41 0.00 -1.21 -4.66 120.51 118.47 1n18 n ALA 140 Ca -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1n18 n ALA 140 Cb 0.63 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1n18 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n18 n GLY 141 N 0.63 -0.44 3.66 0.00 0.00 -1.26 -0.68 105.19 107.08 1n18 n GLY 141 Ca 0.10 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 1n18 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n18 s SER 142 N -4.00 2.80 -0.47 1.61 1.04 -1.26 -4.60 113.70 108.82 1n18 s SER 142 Ca 0.00 1.98 -0.19 0.00 0.48 0.00 0.00 55.95 58.22 1n18 s SER 142 Cb 0.00 -2.49 0.04 0.00 0.10 0.00 0.00 66.02 63.67 1n18 s SER 142 CO 0.00 -3.14 0.58 -0.13 0.98 0.00 0.00 173.24 171.53 1n18 s ARG 143 N -4.67 3.14 0.11 4.02 0.52 -1.26 -0.56 118.95 120.25 1n18 s ARG 143 Ca 0.66 -0.78 -0.08 0.00 -0.52 0.00 0.00 55.73 55.02 1n18 s ARG 143 Cb -0.22 -4.04 -0.15 0.00 0.52 0.00 0.00 34.95 31.06 1n18 s ARG 143 CO 0.59 -1.09 1.26 -0.07 0.02 0.00 0.00 175.30 176.00 1n18 h LEU 144 N 9.53 0.66 -7.05 2.53 3.38 -1.55 -3.47 115.31 119.34 1n18 h LEU 144 Ca -0.27 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.12 1n18 h LEU 144 Cb 1.10 -0.20 -0.16 0.00 0.09 0.00 0.00 40.66 41.49 1n18 h LEU 144 CO 0.91 1.33 0.16 0.00 0.09 0.00 0.00 178.44 180.94 1n18 s ALA 145 N -3.27 -1.61 0.23 1.53 0.00 -1.18 -4.09 121.76 113.37 1n18 s ALA 145 Ca -0.07 0.88 -0.18 0.00 0.00 0.00 0.00 51.96 52.59 1n18 s ALA 145 Cb 0.08 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.60 1n18 s ALA 145 CO 0.89 -0.53 0.59 0.00 0.00 0.00 0.00 175.76 176.70 1n18 s GLY 147 N -2.92 -0.36 0.21 0.00 0.00 -0.83 -1.65 107.32 101.78 1n18 s GLY 147 Ca 0.12 1.99 -0.30 0.00 0.00 0.00 0.00 44.72 46.54 1n18 s GLY 147 CO 0.03 1.30 1.13 0.14 0.00 0.00 0.00 173.10 175.70 1n18 s VAL 148 N -0.61 3.66 -0.37 1.40 1.01 -1.26 -1.25 120.40 122.98 1n18 s VAL 148 Ca -0.03 1.49 -0.26 0.00 0.00 0.00 0.00 61.98 63.17 1n18 s VAL 148 Cb -0.02 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1n18 s VAL 148 CO 0.02 0.28 0.96 -0.63 0.00 0.00 0.00 175.10 175.73 1n18 s ILE 149 N -0.44 4.55 0.32 2.22 1.01 0.54 -4.44 121.20 124.95 1n18 s ILE 149 Ca 0.49 1.27 0.09 0.00 0.00 0.00 0.00 60.65 62.50 1n18 s ILE 149 Cb -0.31 -4.37 -0.05 0.00 0.01 0.00 0.00 42.46 37.75 1n18 s ILE 149 CO 0.37 -0.56 0.05 -0.83 0.00 0.00 0.00 174.94 173.97 1n18 s GLY 150 N 1.89 1.90 0.16 6.18 0.00 -0.03 -0.38 107.32 117.03 1n18 s GLY 150 Ca 0.40 -1.82 -0.31 0.00 0.00 0.00 0.00 44.72 42.99 1n18 s GLY 150 CO 0.19 -1.80 1.37 -0.42 0.00 0.00 0.00 173.10 172.44 1n18 s ILE 151 N -2.43 3.20 0.23 0.90 1.01 -1.26 -1.15 121.20 121.70 1n18 s ILE 151 Ca 0.35 0.92 0.10 0.00 0.00 0.00 0.00 60.65 62.02 1n18 s ILE 151 Cb -0.03 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1n18 s ILE 151 CO 0.21 0.10 -0.13 0.00 0.00 0.00 0.00 174.94 175.11 1n18 s ALA 152 N 0.65 2.86 -2.00 9.38 0.00 -0.52 -4.81 121.76 127.32 1n18 s ALA 152 Ca 0.61 -1.66 0.25 0.00 0.00 0.00 0.00 51.96 51.16 1n18 s ALA 152 Cb -0.37 -0.53 1.47 0.00 0.00 0.00 0.00 23.12 23.69 1n18 s ALA 152 CO 0.34 0.36 1.83 0.94 0.00 0.00 0.00 175.76 179.24