#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 -4.25 0.00 5.66 -1.26 -4.81 114.28 109.62 1n18 n THR 2 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 1n18 n THR 2 Cb 0.00 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 1n18 n THR 2 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1n18 s LYS 3 N -1.00 0.73 0.19 1.09 1.02 -1.26 0.16 119.74 120.66 1n18 s LYS 3 Ca 0.00 -0.63 -0.07 0.00 0.02 0.00 0.00 55.97 55.30 1n18 s LYS 3 Cb 0.00 -0.67 -0.02 0.00 -0.52 0.00 0.00 37.83 36.62 1n18 s LYS 3 CO 0.00 0.16 0.26 0.00 -0.92 0.00 0.00 175.35 174.85 1n18 s ALA 4 N -0.81 0.35 0.01 5.17 0.00 -0.20 -1.33 121.76 124.95 1n18 s ALA 4 Ca -0.01 -1.16 -0.17 0.00 0.00 0.00 0.00 51.96 50.62 1n18 s ALA 4 Cb -0.07 1.03 0.03 0.00 0.00 0.00 0.00 23.12 24.11 1n18 s ALA 4 CO 0.01 -0.65 0.38 0.54 0.00 0.00 0.00 175.76 176.03 1n18 s VAL 5 N -4.03 0.06 -0.02 0.00 0.11 -0.17 -0.71 120.40 115.62 1n18 s VAL 5 Ca 0.24 -0.46 -0.00 0.00 -2.93 0.00 0.00 61.98 58.83 1n18 s VAL 5 Cb 0.04 -0.83 0.03 0.00 -1.53 0.00 0.00 36.38 34.09 1n18 s VAL 5 CO 0.05 -0.25 0.03 0.00 -3.33 0.00 0.00 175.10 171.59 1n18 s ALA 6 N -1.93 0.13 -0.32 1.54 0.00 -0.21 -0.79 121.76 120.19 1n18 s ALA 6 Ca -0.09 0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.04 1n18 s ALA 6 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1n18 s ALA 6 CO 0.01 -0.12 0.18 0.08 0.00 0.00 0.00 175.76 175.91 1n18 s VAL 7 N 1.12 4.87 -0.10 0.00 1.01 -1.26 -1.13 120.40 124.91 1n18 s VAL 7 Ca -0.09 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 1n18 s VAL 7 Cb -0.13 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1n18 s VAL 7 CO -0.03 0.06 0.59 -0.76 0.00 0.00 0.00 175.10 174.97 1n18 s LEU 8 N 1.66 4.29 0.03 3.92 1.43 0.83 -3.96 118.68 126.87 1n18 s LEU 8 Ca 0.05 0.99 -0.13 0.00 -1.03 0.00 0.00 54.13 54.02 1n18 s LEU 8 Cb -0.17 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.17 1n18 s LEU 8 CO 0.08 -0.07 0.27 -0.54 0.23 0.00 0.00 176.35 176.32 1n18 s LYS 9 N 0.79 0.73 0.00 1.70 1.02 -0.64 -2.32 119.74 121.02 1n18 s LYS 9 Ca 0.32 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.85 1n18 s LYS 9 Cb -0.16 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1n18 s LYS 9 CO 0.14 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 1n18 n GLY 10 N 0.81 3.57 0.09 -3.33 0.00 -1.25 -1.38 105.19 103.70 1n18 n GLY 10 Ca -0.20 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.00 1n18 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n18 n ASP 11 N -0.07 0.59 0.00 1.61 8.00 -1.26 -4.90 116.55 120.52 1n18 n ASP 11 Ca 0.00 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.10 1n18 n ASP 11 Cb 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1n18 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n18 n GLY 12 N 1.42 4.20 0.16 0.44 0.00 -1.26 -5.02 105.19 105.12 1n18 n GLY 12 Ca 0.09 -1.98 0.15 0.00 0.00 0.00 0.00 46.02 44.28 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 0.94 -2.37 1.61 -0.04 -1.26 -4.88 135.00 129.00 1n18 n PRO 13 Ca 0.00 -0.32 -0.43 0.00 -0.04 0.00 0.00 63.50 62.71 1n18 n PRO 13 Cb 0.00 -1.49 -0.02 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 -2.28 4.14 0.03 0.52 1.01 -1.26 -4.31 120.40 118.26 1n18 s VAL 14 Ca 0.35 1.43 -0.21 0.00 0.00 0.00 0.00 61.98 63.55 1n18 s VAL 14 Cb 0.21 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.71 1n18 s VAL 14 CO 0.42 -0.08 0.47 0.00 0.00 0.00 0.00 175.10 175.92 1n18 s GLN 15 N 3.06 0.96 -0.04 2.72 -2.07 -1.01 -3.82 119.66 119.46 1n18 s GLN 15 Ca 0.58 -0.25 -0.30 0.00 -1.82 0.00 0.00 55.36 53.56 1n18 s GLN 15 Cb -0.25 0.43 0.12 0.00 -1.09 0.00 0.00 33.01 32.22 1n18 s GLN 15 CO 0.19 -0.33 1.33 0.20 -1.32 0.00 0.00 175.29 175.36 1n18 s GLY 16 N -1.88 -0.31 -0.11 2.60 0.00 -0.98 -0.78 107.32 105.86 1n18 s GLY 16 Ca -0.06 0.45 0.01 0.00 0.00 0.00 0.00 44.72 45.12 1n18 s GLY 16 CO -0.01 2.83 -0.11 -0.42 0.00 0.00 0.00 173.10 175.40 1n18 s ILE 17 N -2.15 1.21 -0.14 0.90 1.01 -0.94 -0.12 121.20 120.97 1n18 s ILE 17 Ca 0.22 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.44 1n18 s ILE 17 Cb 0.03 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.34 1n18 s ILE 17 CO -0.03 0.39 -0.18 -0.63 0.00 0.00 0.00 174.94 174.49 1n18 s ILE 18 N 1.34 2.45 0.03 2.92 -1.09 -0.29 -2.58 121.20 123.99 1n18 s ILE 18 Ca -0.01 -0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 57.53 1n18 s ILE 18 Cb -0.14 -2.01 -0.04 0.00 -1.58 0.00 0.00 42.46 38.69 1n18 s ILE 18 CO -0.05 0.53 0.22 0.20 -1.23 0.00 0.00 174.94 174.61 1n18 s ASN 19 N 0.70 6.39 -0.01 3.58 0.01 0.17 -1.04 114.94 124.73 1n18 s ASN 19 Ca -0.08 0.36 0.05 0.00 -0.71 0.00 0.00 52.86 52.47 1n18 s ASN 19 Cb -0.16 -2.00 -0.01 0.00 0.41 0.00 0.00 41.25 39.49 1n18 s ASN 19 CO 0.01 0.21 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.30 1n18 s PHE 20 N -1.42 1.31 -0.10 2.20 0.08 0.11 -1.28 117.98 118.87 1n18 s PHE 20 Ca 0.32 -0.25 -0.05 0.00 0.12 0.00 0.00 56.93 57.06 1n18 s PHE 20 Cb -0.13 -0.84 0.05 0.00 -0.57 0.00 0.00 43.02 41.53 1n18 s PHE 20 CO 0.23 -0.02 0.24 -2.00 -0.10 0.00 0.00 175.22 173.57 1n18 s GLU 21 N -0.40 0.21 -0.29 0.44 2.12 -0.24 -1.03 118.70 119.51 1n18 s GLU 21 Ca 0.05 0.52 -0.00 0.00 0.36 0.00 0.00 54.97 55.90 1n18 s GLU 21 Cb -0.06 -0.11 0.09 0.00 0.26 0.00 0.00 34.13 34.31 1n18 s GLU 21 CO -0.00 -0.16 0.06 -1.14 -0.54 0.00 0.00 175.26 173.48 1n18 s GLN 22 N 1.21 0.96 0.19 4.30 0.74 0.12 -0.59 119.66 126.60 1n18 s GLN 22 Ca -0.09 -1.12 -0.12 0.00 0.05 0.00 0.00 55.36 54.08 1n18 s GLN 22 Cb -0.10 -2.28 0.15 0.00 1.10 0.00 0.00 33.01 31.88 1n18 s GLN 22 CO -0.08 -0.89 1.81 -0.22 -0.55 0.00 0.00 175.29 175.37 1n18 h LYS 23 N 8.01 0.63 -5.84 1.67 3.64 -1.81 -3.41 116.57 119.45 1n18 h LYS 23 Ca -0.13 -0.04 -0.56 0.00 -1.27 0.00 0.00 60.65 58.65 1n18 h LYS 23 Cb 1.03 -0.14 -0.28 0.00 -0.41 0.00 0.00 32.23 32.43 1n18 h LYS 23 CO 0.46 0.41 -0.84 -1.21 -2.27 0.00 0.00 179.45 176.00 1n18 s GLU 24 N -6.12 1.45 0.63 1.90 0.41 -1.26 -5.02 118.70 110.68 1n18 s GLU 24 Ca -0.13 -0.74 0.34 0.00 -0.41 0.00 0.00 54.97 54.03 1n18 s GLU 24 Cb 0.14 -1.44 1.92 0.00 -1.78 0.00 0.00 34.13 32.96 1n18 s GLU 24 CO 0.75 0.39 2.17 0.66 -0.49 0.00 0.00 175.26 178.74 1n18 h SER 25 N 5.44 0.00 -0.38 -0.19 4.64 -1.87 0.11 113.55 121.29 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 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1n18 h SER 25 CO 0.47 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.97 1n18 n ASN 26 N -3.42 3.70 -4.83 4.97 6.94 -1.26 -4.92 115.26 116.43 1n18 n ASN 26 Ca -0.01 -2.47 -0.23 0.00 -0.02 0.00 0.00 54.58 51.84 1n18 n ASN 26 Cb 0.23 -0.42 0.03 0.00 -2.36 0.00 0.00 39.78 37.25 1n18 n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1n18 n GLY 27 N 0.27 2.43 3.82 4.83 0.00 0.38 -5.12 105.19 111.80 1n18 n GLY 27 Ca 0.18 -2.27 -0.31 0.00 0.00 0.00 0.00 46.02 43.63 1n18 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n18 s PRO 28 N -4.37 2.80 -0.19 1.61 0.04 -1.26 -4.86 135.00 128.76 1n18 s PRO 28 Ca 0.43 0.91 -0.05 0.00 0.04 0.00 0.00 61.00 62.33 1n18 s PRO 28 Cb -0.03 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1n18 s PRO 28 CO 0.27 -1.19 0.01 0.08 0.04 0.00 0.00 177.00 176.21 1n18 s VAL 29 N -3.06 4.12 -0.06 -0.36 1.01 0.31 -4.38 120.40 117.98 1n18 s VAL 29 Ca 0.58 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 62.13 1n18 s VAL 29 Cb -0.14 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1n18 s VAL 29 CO 0.55 0.44 0.46 -0.54 0.00 0.00 0.00 175.10 176.01 1n18 s LYS 30 N 0.82 4.19 -0.14 2.72 1.02 0.25 -1.34 119.74 127.25 1n18 s LYS 30 Ca 0.01 0.47 0.01 0.00 0.02 0.00 0.00 55.97 56.48 1n18 s LYS 30 Cb -0.14 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1n18 s LYS 30 CO 0.02 0.39 -0.15 0.08 -0.92 0.00 0.00 175.35 174.77 1n18 s VAL 31 N -0.13 1.59 0.08 3.17 1.01 0.20 -1.08 120.40 125.24 1n18 s VAL 31 Ca 0.25 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 1n18 s VAL 31 Cb -0.16 -1.47 0.03 0.00 0.00 0.00 0.00 36.38 34.77 1n18 s VAL 31 CO 0.12 0.46 0.37 -1.66 0.00 0.00 0.00 175.10 174.39 1n18 s TRP 32 N 1.31 -0.18 -4.88 5.22 -2.14 -0.40 0.06 118.94 117.93 1n18 s TRP 32 Ca 0.01 -0.01 0.00 0.00 2.66 0.00 0.00 56.10 58.76 1n18 s TRP 32 Cb -0.14 0.19 0.00 0.00 -3.10 0.00 0.00 33.47 30.42 1n18 s TRP 32 CO -0.08 -0.60 0.00 0.41 -2.66 0.00 0.00 176.95 174.02 1n18 n GLY 33 N 0.20 -0.49 2.96 3.67 0.00 -0.79 0.41 105.19 111.16 1n18 n GLY 33 Ca -0.17 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.08 -0.07 1.61 0.15 -1.07 -1.28 113.70 108.97 1n18 s SER 34 Ca 0.00 0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.82 1n18 s SER 34 Cb 0.00 0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 1n18 s SER 34 CO 0.00 -0.04 -0.15 -0.63 1.20 0.00 0.00 173.24 173.62 1n18 s ILE 35 N -0.01 1.35 0.43 6.45 1.01 -0.55 -2.20 121.20 127.68 1n18 s ILE 35 Ca -0.01 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.09 1n18 s ILE 35 Cb -0.01 -1.21 -0.07 0.00 0.01 0.00 0.00 42.46 41.18 1n18 s ILE 35 CO 0.00 0.40 0.01 -1.59 0.00 0.00 0.00 174.94 173.77 1n18 s LYS 36 N 0.57 2.01 -0.07 2.79 -2.85 0.04 -0.56 119.74 121.68 1n18 s LYS 36 Ca -0.15 -2.16 0.00 0.00 -1.00 0.00 0.00 55.97 52.66 1n18 s LYS 36 Cb -0.16 -1.63 0.00 0.00 -2.06 0.00 0.00 37.83 33.98 1n18 s LYS 36 CO 0.05 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.79 1n18 n GLY 37 N -1.04 0.44 3.85 0.59 0.00 -0.86 -2.40 105.19 105.76 1n18 n GLY 37 Ca -0.08 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.15 4.09 0.50 0.99 1.43 -0.71 -4.20 118.68 120.63 1n18 s LEU 38 Ca 0.00 0.15 -0.21 0.00 -1.03 0.00 0.00 54.13 53.04 1n18 s LEU 38 Cb 0.00 -2.67 -0.07 0.00 0.03 0.00 0.00 46.19 43.48 1n18 s LEU 38 CO 0.00 0.19 1.12 0.42 0.23 0.00 0.00 176.35 178.31 1n18 s THR 39 N -1.41 3.28 0.40 5.49 -4.23 -1.26 -4.10 115.64 113.80 1n18 s THR 39 Ca 0.31 0.86 -0.26 0.00 -1.18 0.00 0.00 61.69 61.42 1n18 s THR 39 Cb -0.13 -3.38 -0.10 0.00 1.34 0.00 0.00 72.50 70.23 1n18 s THR 39 CO 0.23 -0.11 1.29 1.21 -0.54 0.00 0.00 174.62 176.71 1n18 n GLU 40 N -0.90 2.03 0.00 3.99 2.13 -1.26 -4.66 120.64 121.96 1n18 n GLU 40 Ca 0.09 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1n18 n GLU 40 Cb 0.50 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.81 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 0.77 -0.09 3.79 8.31 0.00 -0.26 -4.92 105.19 112.80 1n18 n GLY 41 Ca 0.06 -2.25 -0.36 0.00 0.00 0.00 0.00 46.02 43.47 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 4.30 -0.05 0.99 1.43 -1.26 -1.04 118.68 123.04 1n18 s LEU 42 Ca 0.00 1.71 -0.02 0.00 -1.03 0.00 0.00 54.13 54.79 1n18 s LEU 42 Cb 0.00 -3.97 0.04 0.00 0.03 0.00 0.00 46.19 42.29 1n18 s LEU 42 CO 0.00 -0.08 0.11 -1.00 0.23 0.00 0.00 176.35 175.62 1n18 s HIS 43 N -1.66 -0.10 0.57 0.29 3.76 -0.65 -3.23 115.29 114.26 1n18 s HIS 43 Ca 0.50 0.39 -0.19 0.00 -0.15 0.00 0.00 55.06 55.61 1n18 s HIS 43 Cb -0.17 -0.16 -0.07 0.00 1.11 0.00 0.00 32.58 33.29 1n18 s HIS 43 CO 0.22 -0.16 0.80 0.41 -0.85 0.00 0.00 174.74 175.16 1n18 n GLY 44 N 4.38 -0.76 2.82 -2.22 0.00 0.32 -1.77 105.19 107.97 1n18 n GLY 44 Ca -0.24 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.56 -0.61 0.13 1.61 5.36 -0.23 -0.65 117.98 122.04 1n18 s PHE 45 Ca 0.72 0.26 -0.01 0.00 -0.96 0.00 0.00 56.93 56.93 1n18 s PHE 45 Cb -0.45 -0.26 -0.04 0.00 -0.34 0.00 0.00 43.02 41.93 1n18 s PHE 45 CO 0.51 -0.81 0.06 -1.01 -1.46 0.00 0.00 175.22 172.51 1n18 s HIS 46 N 2.43 0.83 -0.29 10.12 3.76 -0.83 -2.63 115.29 128.68 1n18 s HIS 46 Ca 0.10 -1.21 -0.11 0.00 -0.15 0.00 0.00 55.06 53.69 1n18 s HIS 46 Cb -0.14 -0.46 -0.04 0.00 1.11 0.00 0.00 32.58 33.04 1n18 s HIS 46 CO -0.24 -0.52 0.20 0.08 -0.85 0.00 0.00 174.74 173.41 1n18 s VAL 47 N -4.04 5.30 0.31 -0.90 1.01 -0.42 -0.93 120.40 120.72 1n18 s VAL 47 Ca 0.23 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 1n18 s VAL 47 Cb 0.07 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1n18 s VAL 47 CO 0.01 0.20 0.55 -1.00 0.00 0.00 0.00 175.10 174.87 1n18 s HIS 48 N 1.75 3.49 0.16 5.22 3.76 0.23 -0.94 115.29 128.96 1n18 s HIS 48 Ca 0.07 0.55 -0.18 0.00 -0.15 0.00 0.00 55.06 55.35 1n18 s HIS 48 Cb -0.16 -2.04 0.08 0.00 1.11 0.00 0.00 32.58 31.57 1n18 s HIS 48 CO 0.11 0.14 1.66 1.49 -0.85 0.00 0.00 174.74 177.30 1n18 h GLU 49 N 1.35 -0.04 -5.89 1.40 4.81 -0.37 -2.66 114.58 113.18 1n18 h GLU 49 Ca -0.48 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.07 1n18 h GLU 49 Cb 1.20 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.45 1n18 h GLU 49 CO 0.65 -0.03 -0.59 -0.06 -0.73 0.00 0.00 179.01 178.25 1n18 s PHE 50 N -6.20 3.25 -0.70 0.92 0.08 -0.31 -4.65 117.98 110.38 1n18 s PHE 50 Ca -0.14 0.26 -0.04 0.00 0.12 0.00 0.00 56.93 57.13 1n18 s PHE 50 Cb 0.14 -1.83 0.10 0.00 -0.57 0.00 0.00 43.02 40.87 1n18 s PHE 50 CO 0.70 0.52 2.60 0.41 -0.10 0.00 0.00 175.22 179.35 1n18 n GLY 51 N 2.14 4.69 3.19 4.36 0.00 -1.08 -3.77 105.19 114.73 1n18 n GLY 51 Ca -0.19 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 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 0.20 4.67 -0.22 1.61 3.68 -1.26 -4.96 116.67 120.39 1n18 s ASP 52 Ca 0.57 -1.07 0.14 0.00 2.13 0.00 0.00 52.55 54.32 1n18 s ASP 52 Cb 0.34 -1.70 0.52 0.00 -1.45 0.00 0.00 42.92 40.62 1n18 s ASP 52 CO -0.21 -0.20 1.44 -3.20 0.13 0.00 0.00 175.17 173.13 1n18 n ASN 53 N 4.66 3.43 -0.01 -0.34 4.05 -1.26 -2.74 115.26 123.04 1n18 n ASN 53 Ca -0.15 -3.25 0.04 0.00 0.45 0.00 0.00 54.58 51.67 1n18 n ASN 53 Cb 0.45 -0.58 0.42 0.00 1.23 0.00 0.00 39.78 41.31 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 1.49 1.11 -1.24 -0.44 1.35 -1.93 -2.69 112.91 110.56 1n18 h THR 54 Ca 0.08 -0.20 -0.57 0.00 -0.55 0.00 0.00 66.41 65.17 1n18 h THR 54 Cb 1.53 0.49 -0.42 0.00 -1.73 0.00 0.00 68.15 68.01 1n18 h THR 54 CO 0.29 0.10 -0.77 0.00 -0.25 0.00 0.00 175.52 174.89 1n18 n ALA 55 N -2.47 5.01 -0.45 6.62 0.00 -1.26 -5.07 120.51 122.89 1n18 n ALA 55 Ca 0.03 -4.11 0.00 0.00 0.00 0.00 0.00 53.44 49.36 1n18 n ALA 55 Cb 0.06 -0.47 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 -0.55 -0.54 0.19 0.00 0.00 -1.01 -3.45 105.19 99.82 1n18 n GLY 56 Ca 0.40 -1.11 0.14 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.89 -2.60 112.91 111.63 1n18 h THR 58 Ca 0.00 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1n18 h THR 58 Cb 0.26 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1n18 h THR 58 CO 0.00 0.24 0.00 -1.54 0.37 0.00 0.00 175.52 174.59 1n18 n SER 59 N -4.34 0.00 0.00 4.18 3.41 -1.14 -3.05 113.62 112.68 1n18 n SER 59 Ca 0.04 -0.04 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 1n18 n SER 59 Cb 0.16 -0.27 0.34 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.27 1.75 -0.41 7.33 0.00 -0.98 -4.51 120.51 122.41 1n18 n ALA 60 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1n18 n ALA 60 Cb 0.17 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 0.01 -0.82 2.15 0.00 0.00 -1.17 -1.16 105.19 104.20 1n18 n GLY 61 Ca 0.05 -1.15 -0.16 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.24 -0.61 -2.02 1.61 -0.04 -1.26 -4.64 135.00 127.79 1n18 n PRO 62 Ca 0.00 -1.19 -0.41 0.00 -0.04 0.00 0.00 63.50 61.86 1n18 n PRO 62 Cb 0.00 -0.72 -0.02 0.00 -0.04 0.00 0.00 33.50 32.73 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 -2.50 2.91 -0.12 0.54 3.76 -1.26 0.05 115.29 118.67 1n18 s HIS 63 Ca 0.41 1.33 -0.31 0.00 -0.15 0.00 0.00 55.06 56.35 1n18 s HIS 63 Cb -0.01 -3.79 -0.08 0.00 1.11 0.00 0.00 32.58 29.81 1n18 s HIS 63 CO 0.29 -2.22 2.07 0.34 -0.85 0.00 0.00 174.74 174.37 1n18 n PHE 64 N 0.74 2.19 -3.19 1.40 -0.00 -0.12 -4.43 117.46 114.04 1n18 n PHE 64 Ca 0.00 -0.15 -0.22 0.00 -0.00 0.00 0.00 57.45 57.09 1n18 n PHE 64 Cb 0.41 -2.72 -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 9.11 0.78 0.28 -2.13 5.15 -1.26 -1.76 115.26 125.43 1n18 n ASN 65 Ca 0.26 -2.89 0.15 0.00 -0.60 0.00 0.00 54.58 51.50 1n18 n ASN 65 Cb 0.38 -0.63 0.79 0.00 -0.53 0.00 0.00 39.78 39.79 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 3.62 0.00 -0.03 1.20 0.13 -1.98 -2.06 132.00 132.89 1n18 h PRO 66 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1n18 h PRO 66 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1n18 h PRO 66 CO 0.51 0.09 0.00 1.28 -0.23 0.00 0.00 178.00 179.65 1n18 n LEU 67 N -3.51 1.91 -3.62 1.56 4.77 -1.26 -4.97 117.00 111.88 1n18 n LEU 67 Ca -0.02 -0.65 -0.23 0.00 -0.03 0.00 0.00 56.01 55.09 1n18 n LEU 67 Cb 0.22 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.34 1n18 n LEU 67 CO 0.28 0.32 -0.05 -1.20 -1.33 0.00 0.00 177.39 175.42 1n18 n SER 68 N 0.49 -2.97 -3.63 -1.43 7.64 -0.77 -5.01 113.62 107.93 1n18 n SER 68 Ca 0.18 -0.85 -0.15 0.00 1.01 0.00 0.00 58.87 59.06 1n18 n SER 68 Cb 0.42 -4.10 0.00 0.00 -1.01 0.00 0.00 64.21 59.52 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 -4.08 1.00 -3.10 1.43 1.74 -1.26 -5.13 116.66 107.25 1n18 n ARG 69 Ca -0.22 -1.96 -0.25 0.00 -0.77 0.00 0.00 57.85 54.65 1n18 n ARG 69 Cb 0.65 0.18 -0.01 0.00 -1.02 0.00 0.00 32.46 32.26 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 -3.32 3.50 0.31 5.56 -0.14 -1.26 -4.81 119.74 119.58 1n18 s LYS 70 Ca 0.20 -0.14 -0.29 0.00 -1.36 0.00 0.00 55.97 54.38 1n18 s LYS 70 Cb -0.02 -2.55 -0.10 0.00 -1.68 0.00 0.00 37.83 33.48 1n18 s LYS 70 CO 0.12 0.01 1.27 -1.58 -0.76 0.00 0.00 175.35 174.42 1n18 s HIS 71 N -2.48 3.16 0.00 3.18 5.65 -0.18 -3.19 115.29 121.43 1n18 s HIS 71 Ca 0.43 1.44 0.00 0.00 0.25 0.00 0.00 55.06 57.18 1n18 s HIS 71 Cb -0.10 -3.61 0.00 0.00 -1.18 0.00 0.00 32.58 27.69 1n18 s HIS 71 CO 0.39 -1.65 0.00 0.41 -0.65 0.00 0.00 174.74 173.24 1n18 n GLY 72 N 1.03 2.92 3.94 1.59 0.00 -1.25 -4.35 105.19 109.06 1n18 n GLY 72 Ca 0.00 -1.29 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.98 1.48 0.55 -0.02 0.00 -1.22 -4.69 107.32 102.44 1n18 s GLY 73 Ca 0.00 -0.86 0.26 0.00 0.00 0.00 0.00 44.72 44.12 1n18 s GLY 73 CO 0.00 -0.72 2.01 -0.56 0.00 0.00 0.00 173.10 173.83 1n18 h PRO 74 N 0.44 0.00 -0.00 2.90 0.13 -1.87 -1.17 132.00 132.42 1n18 h PRO 74 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 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 -0.20 1.63 -0.23 0.00 0.00 178.00 179.80 1n18 n LYS 75 N -4.16 0.17 -2.87 0.86 5.02 -1.26 -4.87 118.16 111.04 1n18 n LYS 75 Ca 0.07 -0.06 -0.35 0.00 -2.02 0.00 0.00 58.31 55.95 1n18 n LYS 75 Cb 0.53 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.98 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 -2.87 7.13 0.14 4.39 -0.00 -0.45 -4.96 116.67 120.05 1n18 s ASP 76 Ca 0.17 1.68 -0.08 0.00 -0.00 0.00 0.00 52.55 54.31 1n18 s ASP 76 Cb 0.19 -2.53 -0.04 0.00 -0.00 0.00 0.00 42.92 40.54 1n18 s ASP 76 CO 0.58 -0.15 1.40 -0.08 -0.00 0.00 0.00 175.17 176.92 1n18 h GLU 77 N 2.77 0.71 -5.20 8.23 4.22 -1.89 -3.37 114.58 120.05 1n18 h GLU 77 Ca -0.48 -0.51 -0.65 0.00 0.08 0.00 0.00 59.36 57.80 1n18 h GLU 77 Cb 1.19 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 30.36 1n18 h GLU 77 CO 0.64 1.13 0.45 -2.00 -2.18 0.00 0.00 179.01 177.05 1n18 s GLU 78 N -3.89 3.13 0.24 1.92 2.56 -1.26 -4.96 118.70 116.44 1n18 s GLU 78 Ca -0.09 -1.05 -0.19 0.00 0.00 0.00 0.00 54.97 53.65 1n18 s GLU 78 Cb 0.10 -4.29 0.02 0.00 2.00 0.00 0.00 34.13 31.96 1n18 s GLU 78 CO 0.88 -1.74 0.62 -0.98 -0.56 0.00 0.00 175.26 173.47 1n18 s ARG 79 N 3.57 1.61 0.30 4.30 1.70 -1.19 -3.82 118.95 125.42 1n18 s ARG 79 Ca 0.20 -0.97 -0.15 0.00 -0.47 0.00 0.00 55.73 54.34 1n18 s ARG 79 Cb -0.18 0.56 -0.09 0.00 -0.57 0.00 0.00 34.95 34.67 1n18 s ARG 79 CO 0.07 -0.71 0.72 -1.01 -1.08 0.00 0.00 175.30 173.29 1n18 s HIS 80 N -3.92 3.40 0.39 5.89 3.76 -1.23 -4.65 115.29 118.94 1n18 s HIS 80 Ca 0.12 1.21 0.09 0.00 -0.15 0.00 0.00 55.06 56.33 1n18 s HIS 80 Cb -0.03 -2.52 0.85 0.00 1.11 0.00 0.00 32.58 31.98 1n18 s HIS 80 CO 0.04 0.13 1.96 0.28 -0.85 0.00 0.00 174.74 176.30 1n18 h VAL 81 N 2.05 0.97 -0.02 -0.90 2.07 -1.82 -1.30 116.25 117.29 1n18 h VAL 81 Ca -0.48 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1n18 h VAL 81 Cb 1.18 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1n18 h VAL 81 CO 0.66 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.97 1n18 n GLY 82 N -1.47 -0.75 3.56 2.17 0.00 -0.72 -4.36 105.19 103.60 1n18 n GLY 82 Ca 0.10 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.75 5.78 -0.03 1.61 1.01 -0.49 -1.30 116.67 121.49 1n18 s ASP 83 Ca 0.36 0.06 0.16 0.00 0.71 0.00 0.00 52.55 53.84 1n18 s ASP 83 Cb 0.17 -2.54 0.50 0.00 1.01 0.00 0.00 42.92 42.06 1n18 s ASP 83 CO 0.28 -2.04 1.42 0.18 0.21 0.00 0.00 175.17 175.23 1n18 n LEU 84 N 10.85 3.63 0.00 1.23 4.77 -1.08 -3.83 117.00 132.56 1n18 n LEU 84 Ca 0.12 -2.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.97 1n18 n LEU 84 Cb 0.50 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1n18 n LEU 84 CO 0.71 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 178.21 1n18 n GLY 85 N 0.94 0.51 3.39 -0.72 0.00 -1.21 -4.80 105.19 103.29 1n18 n GLY 85 Ca 0.19 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 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 2.71 0.12 1.61 0.01 -1.26 -1.06 114.94 113.07 1n18 s ASN 86 Ca 0.00 -1.10 0.08 0.00 -0.71 0.00 0.00 52.86 51.13 1n18 s ASN 86 Cb 0.00 -0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.46 1n18 s ASN 86 CO 0.00 -0.24 -0.20 0.68 -1.51 0.00 0.00 177.10 175.83 1n18 s VAL 87 N -2.97 1.70 -0.18 1.60 -7.23 -0.73 -4.90 120.40 107.69 1n18 s VAL 87 Ca 0.26 -1.62 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 1n18 s VAL 87 Cb 0.01 -1.60 -0.01 0.00 0.56 0.00 0.00 36.38 35.34 1n18 s VAL 87 CO 0.10 -0.14 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.79 1n18 s THR 88 N -1.40 3.38 -0.15 5.32 2.01 -1.26 -1.63 115.64 121.91 1n18 s THR 88 Ca 0.08 -0.52 -0.11 0.00 0.31 0.00 0.00 61.69 61.45 1n18 s THR 88 Cb -0.09 -2.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 1n18 s THR 88 CO 0.05 0.47 0.21 0.00 -0.69 0.00 0.00 174.62 174.66 1n18 s ALA 89 N 0.90 3.69 1.02 7.40 0.00 -0.21 -4.13 121.76 130.43 1n18 s ALA 89 Ca -0.01 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 1n18 s ALA 89 Cb -0.15 -2.23 0.16 0.00 0.00 0.00 0.00 23.12 20.91 1n18 s ALA 89 CO 0.01 0.26 0.89 -0.40 0.00 0.00 0.00 175.76 176.51 1n18 n ASP 90 N 3.09 -0.14 0.25 0.00 3.85 -0.08 -1.10 116.55 122.42 1n18 n ASP 90 Ca -0.15 -1.28 0.16 0.00 -0.71 0.00 0.00 54.79 52.81 1n18 n ASP 90 Cb 0.53 -0.69 0.87 0.00 -1.35 0.00 0.00 41.12 40.48 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 -0.03 0.11 2.10 -1.97 -1.29 116.57 115.50 1n18 h LYS 91 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 1n18 h LYS 91 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1n18 h LYS 91 CO 0.20 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.40 1n18 n ASP 92 N -3.80 0.62 0.00 7.07 10.43 -1.26 -4.87 116.55 124.73 1n18 n ASP 92 Ca -0.01 -1.32 0.00 0.00 2.57 0.00 0.00 54.79 56.04 1n18 n ASP 92 Cb 0.22 -0.01 0.00 0.00 1.84 0.00 0.00 41.12 43.16 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 1.02 0.59 3.35 0.44 0.00 -0.49 -4.84 105.19 105.26 1n18 n GLY 93 Ca 0.19 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 2.88 -0.32 1.61 1.01 -1.26 -1.73 120.40 120.60 1n18 s VAL 94 Ca 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 1n18 s VAL 94 Cb 0.00 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.23 1n18 s VAL 94 CO 0.00 0.54 0.06 0.00 0.00 0.00 0.00 175.10 175.70 1n18 s ALA 95 N 0.26 2.96 -0.79 5.51 0.00 0.28 -0.90 121.76 129.08 1n18 s ALA 95 Ca -0.10 -1.69 -0.20 0.00 0.00 0.00 0.00 51.96 49.97 1n18 s ALA 95 Cb -0.16 -2.12 0.10 0.00 0.00 0.00 0.00 23.12 20.94 1n18 s ALA 95 CO 0.06 -1.22 1.03 -0.51 0.00 0.00 0.00 175.76 175.11 1n18 s ASP 96 N 1.37 6.41 0.21 0.00 1.11 -1.26 -1.48 116.67 123.03 1n18 s ASP 96 Ca -0.02 -1.57 -0.30 0.00 0.18 0.00 0.00 52.55 50.84 1n18 s ASP 96 Cb -0.19 -2.40 -0.09 0.00 1.07 0.00 0.00 42.92 41.32 1n18 s ASP 96 CO 0.01 -1.22 1.21 -0.69 1.18 0.00 0.00 175.17 175.66 1n18 s VAL 97 N 3.25 3.44 -0.28 -1.27 1.01 -0.40 -4.92 120.40 121.23 1n18 s VAL 97 Ca 0.27 1.25 0.01 0.00 0.00 0.00 0.00 61.98 63.51 1n18 s VAL 97 Cb -0.11 -3.80 0.16 0.00 0.00 0.00 0.00 36.38 32.63 1n18 s VAL 97 CO -0.00 0.22 0.47 -0.55 0.00 0.00 0.00 175.10 175.23 1n18 s SER 98 N -0.03 -0.32 0.02 3.32 0.15 -1.25 -1.88 113.70 113.72 1n18 s SER 98 Ca 0.52 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.29 1n18 s SER 98 Cb -0.34 1.46 -0.02 0.00 -1.71 0.00 0.00 66.02 65.42 1n18 s SER 98 CO 0.39 -0.31 -0.03 -0.63 1.20 0.00 0.00 173.24 173.85 1n18 s ILE 99 N 2.65 0.13 -0.05 6.45 1.01 0.11 -5.00 121.20 126.50 1n18 s ILE 99 Ca 0.13 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.04 1n18 s ILE 99 Cb -0.13 -0.25 0.00 0.00 0.01 0.00 0.00 42.46 42.09 1n18 s ILE 99 CO -0.24 -0.40 -0.14 -0.70 0.00 0.00 0.00 174.94 173.46 1n18 s GLU 100 N -1.22 1.58 -0.01 2.79 2.12 -1.26 0.61 118.70 123.30 1n18 s GLU 100 Ca -0.13 -0.48 -0.02 0.00 0.36 0.00 0.00 54.97 54.71 1n18 s GLU 100 Cb -0.08 -1.36 0.00 0.00 0.26 0.00 0.00 34.13 32.95 1n18 s GLU 100 CO -0.01 0.15 0.04 0.34 -0.54 0.00 0.00 175.26 175.24 1n18 s ASP 101 N 0.26 -0.02 0.00 -1.70 -1.08 -0.45 -4.97 116.67 108.71 1n18 s ASP 101 Ca -0.07 0.03 0.14 0.00 -0.52 0.00 0.00 52.55 52.14 1n18 s ASP 101 Cb -0.12 0.09 0.28 0.00 -1.46 0.00 0.00 42.92 41.70 1n18 s ASP 101 CO 0.02 -0.05 1.17 -1.20 0.52 0.00 0.00 175.17 175.64 1n18 n SER 102 N 2.90 2.78 -0.11 -0.34 7.64 -1.26 -0.53 113.62 124.70 1n18 n SER 102 Ca -0.13 -1.83 -0.21 0.00 1.01 0.00 0.00 58.87 57.71 1n18 n SER 102 Cb 0.59 -0.17 -0.12 0.00 -1.01 0.00 0.00 64.21 63.50 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 0.84 1.55 -2.09 0.44 0.31 -1.26 -4.93 118.33 113.19 1n18 n VAL 103 Ca 0.12 -0.53 -0.32 0.00 -0.01 0.00 0.00 64.34 63.61 1n18 n VAL 103 Cb 0.43 -1.58 -0.00 0.00 -0.91 0.00 0.00 33.84 31.78 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 4.21 0.06 2.52 -4.36 -1.26 -5.02 121.20 114.83 1n18 s ILE 104 Ca -0.33 0.97 -0.05 0.00 -0.26 0.00 0.00 60.65 60.97 1n18 s ILE 104 Cb 0.10 -3.56 -0.02 0.00 1.25 0.00 0.00 42.46 40.22 1n18 s ILE 104 CO 0.61 -0.69 0.08 -0.55 0.24 0.00 0.00 174.94 174.63 1n18 s SER 105 N -3.19 0.28 -0.09 4.36 0.15 -1.26 -4.57 113.70 109.38 1n18 s SER 105 Ca 0.60 -0.77 0.19 0.00 0.70 0.00 0.00 55.95 56.66 1n18 s SER 105 Cb -0.13 0.26 0.69 0.00 -1.71 0.00 0.00 66.02 65.13 1n18 s SER 105 CO 0.39 -0.64 1.60 0.18 1.20 0.00 0.00 173.24 175.97 1n18 n LEU 106 N 0.16 4.56 -3.84 3.45 4.77 -1.26 -1.35 117.00 123.49 1n18 n LEU 106 Ca -0.15 -2.38 -0.05 0.00 -0.03 0.00 0.00 56.01 53.39 1n18 n LEU 106 Cb 0.61 -0.55 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1n18 n LEU 106 CO 0.25 0.83 0.69 -0.94 -1.33 0.00 0.00 177.39 176.89 1n18 s SER 107 N -0.97 -0.03 0.00 -1.43 1.04 -1.26 -4.67 113.70 106.38 1n18 s SER 107 Ca 0.50 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1n18 s SER 107 Cb 0.31 0.63 0.00 0.00 0.10 0.00 0.00 66.02 67.07 1n18 s SER 107 CO 0.25 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1n18 n GLY 108 N -0.60 -1.50 0.43 7.32 0.00 -1.26 -3.60 105.19 105.98 1n18 n GLY 108 Ca -0.05 -1.57 0.36 0.00 0.00 0.00 0.00 46.02 44.76 1n18 n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n18 n ASP 109 N -2.12 0.18 -1.97 1.61 4.64 -1.26 -1.32 116.55 116.32 1n18 n ASP 109 Ca 0.00 1.22 -0.22 0.00 -1.38 0.00 0.00 54.79 54.40 1n18 n ASP 109 Cb 0.00 -0.60 0.03 0.00 -1.04 0.00 0.00 41.12 39.51 1n18 n ASP 109 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1n18 n HIS 110 N -4.44 2.59 -1.20 -0.67 8.25 -1.26 -5.07 115.22 113.41 1n18 n HIS 110 Ca 0.36 -2.18 -0.33 0.00 -0.26 0.00 0.00 57.72 55.31 1n18 n HIS 110 Cb 1.41 -0.33 0.12 0.00 1.12 0.00 0.00 29.99 32.30 1n18 n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1n18 s SER 111 N -3.58 3.83 0.00 0.41 0.15 -0.43 -4.45 113.70 109.62 1n18 s SER 111 Ca 0.50 2.27 0.24 0.00 0.70 0.00 0.00 55.95 59.66 1n18 s SER 111 Cb 0.41 -2.58 0.37 0.00 -1.71 0.00 0.00 66.02 62.51 1n18 s SER 111 CO 0.03 -2.50 1.37 2.30 1.20 0.00 0.00 173.24 175.63 1n18 n ILE 112 N -3.24 0.14 -1.75 6.45 -5.35 -0.46 -4.93 119.36 110.23 1n18 n ILE 112 Ca 0.13 -0.53 -0.42 0.00 -0.27 0.00 0.00 62.75 61.66 1n18 n ILE 112 Cb 0.51 1.20 -0.02 0.00 -1.74 0.00 0.00 39.64 39.59 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 -1.86 2.03 0.00 7.28 -1.09 -1.26 -1.51 121.20 124.79 1n18 s ILE 113 Ca 0.32 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 1n18 s ILE 113 Cb 0.21 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 38.07 1n18 s ILE 113 CO 0.31 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 1n18 n GLY 114 N 2.92 0.83 1.17 6.18 0.00 0.28 -5.00 105.19 111.57 1n18 n GLY 114 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 0.99 -5.12 1.61 1.74 -0.57 -2.64 116.66 110.49 1n18 n ARG 115 Ca 0.00 -0.97 -0.32 0.00 -0.77 0.00 0.00 57.85 55.79 1n18 n ARG 115 Cb 0.00 -0.02 -0.15 0.00 -1.02 0.00 0.00 32.46 31.27 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 -0.31 2.42 -0.16 0.55 2.01 -1.00 -0.35 115.64 118.80 1n18 s THR 116 Ca 0.16 -0.94 -0.13 0.00 0.31 0.00 0.00 61.69 61.08 1n18 s THR 116 Cb -0.01 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.54 1n18 s THR 116 CO 0.10 0.57 0.28 -0.22 -0.69 0.00 0.00 174.62 174.66 1n18 s LEU 117 N -0.26 4.25 -0.02 4.42 2.96 -0.17 0.75 118.68 130.61 1n18 s LEU 117 Ca -0.00 0.51 0.04 0.00 -0.22 0.00 0.00 54.13 54.46 1n18 s LEU 117 Cb -0.13 -2.36 -0.00 0.00 0.50 0.00 0.00 46.19 44.20 1n18 s LEU 117 CO 0.03 0.12 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.35 1n18 s VAL 118 N 0.35 1.12 -0.13 1.68 1.01 -0.11 -1.62 120.40 122.70 1n18 s VAL 118 Ca 0.16 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1n18 s VAL 118 Cb -0.13 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1n18 s VAL 118 CO 0.04 0.33 -0.15 0.54 0.00 0.00 0.00 175.10 175.86 1n18 s VAL 119 N -0.07 2.88 0.42 2.92 0.11 -0.74 -1.97 120.40 123.96 1n18 s VAL 119 Ca 0.00 -0.72 0.03 0.00 -2.93 0.00 0.00 61.98 58.37 1n18 s VAL 119 Cb -0.08 -2.20 0.00 0.00 -1.53 0.00 0.00 36.38 32.57 1n18 s VAL 119 CO 0.01 0.53 0.61 -1.00 -3.33 0.00 0.00 175.10 171.91 1n18 s HIS 120 N 0.41 3.08 0.10 1.54 3.76 0.18 -1.75 115.29 122.61 1n18 s HIS 120 Ca -0.11 -0.03 -0.18 0.00 -0.15 0.00 0.00 55.06 54.59 1n18 s HIS 120 Cb -0.16 -2.28 -0.06 0.00 1.11 0.00 0.00 32.58 31.18 1n18 s HIS 120 CO 0.05 -0.33 1.60 1.49 -0.85 0.00 0.00 174.74 176.70 1n18 h GLU 121 N 0.54 0.43 -5.47 1.40 4.81 -0.96 -3.38 114.58 111.95 1n18 h GLU 121 Ca -0.45 -0.10 -0.64 0.00 -0.13 0.00 0.00 59.36 58.04 1n18 h GLU 121 Cb 1.26 -0.06 -0.10 0.00 0.63 0.00 0.00 28.75 30.48 1n18 h GLU 121 CO 0.54 0.52 -0.45 0.15 -0.73 0.00 0.00 179.01 179.03 1n18 s LYS 122 N -5.32 2.21 0.48 1.92 1.02 0.56 -4.88 119.74 115.72 1n18 s LYS 122 Ca -0.14 -2.25 -0.21 0.00 0.02 0.00 0.00 55.97 53.40 1n18 s LYS 122 Cb 0.08 -1.73 -0.08 0.00 -0.52 0.00 0.00 37.83 35.58 1n18 s LYS 122 CO 0.73 -0.41 1.08 0.00 -0.92 0.00 0.00 175.35 175.83 1n18 s ALA 123 N -2.82 2.89 -0.18 5.17 0.00 -1.20 -0.52 121.76 125.10 1n18 s ALA 123 Ca 0.17 0.72 -0.21 0.00 0.00 0.00 0.00 51.96 52.64 1n18 s ALA 123 Cb 0.01 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1n18 s ALA 123 CO 0.10 -0.44 0.65 0.34 0.00 0.00 0.00 175.76 176.41 1n18 s ASP 124 N -1.76 6.74 0.00 0.00 3.68 -1.26 -3.74 116.67 120.33 1n18 s ASP 124 Ca 0.66 0.90 0.12 0.00 2.13 0.00 0.00 52.55 56.36 1n18 s ASP 124 Cb -0.21 -2.36 0.60 0.00 -1.45 0.00 0.00 42.92 39.49 1n18 s ASP 124 CO 0.25 -0.25 1.40 -0.90 0.13 0.00 0.00 175.17 175.80 1n18 n ASP 125 N 4.86 0.57 -2.32 -0.34 3.85 0.64 -4.89 116.55 118.92 1n18 n ASP 125 Ca -0.01 -1.73 -0.18 0.00 -0.71 0.00 0.00 54.79 52.16 1n18 n ASP 125 Cb 0.50 -0.05 -0.02 0.00 -1.35 0.00 0.00 41.12 40.20 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 -0.31 -1.62 0.00 -2.12 4.77 -1.26 -1.90 117.00 114.56 1n18 n LEU 126 Ca 0.10 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1n18 n LEU 126 Cb 0.13 -2.64 0.00 0.00 -2.33 0.00 0.00 43.42 38.57 1n18 n LEU 126 CO 0.07 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.48 1n18 n GLY 127 N -0.88 0.52 1.22 -0.72 0.00 -1.24 -3.40 105.19 100.71 1n18 n GLY 127 Ca -0.21 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.93 3.58 0.02 1.61 5.02 -0.80 -4.58 118.16 120.08 1n18 n LYS 128 Ca 0.00 -2.94 0.13 0.00 -2.02 0.00 0.00 58.31 53.48 1n18 n LYS 128 Cb 0.00 -1.98 0.53 0.00 -0.02 0.00 0.00 35.03 33.57 1n18 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n18 n GLY 129 N -0.10 -1.46 1.88 0.72 0.00 -1.26 -4.94 105.19 100.03 1n18 n GLY 129 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1n18 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n18 n GLY 130 N 1.21 0.45 3.50 -0.02 0.00 -1.26 -4.98 105.19 104.09 1n18 n GLY 130 Ca 0.06 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.65 1.01 0.10 1.61 2.20 -1.26 -5.05 114.94 110.91 1n18 s ASN 131 Ca 0.00 -1.53 -0.26 0.00 -0.94 0.00 0.00 52.86 50.14 1n18 s ASN 131 Cb 0.00 0.69 -0.10 0.00 -2.00 0.00 0.00 41.25 39.84 1n18 s ASN 131 CO 0.00 -1.34 1.67 -0.08 -2.94 0.00 0.00 177.10 174.41 1n18 h GLU 132 N 2.07 -0.33 -0.47 3.55 4.57 -1.99 -2.53 114.58 119.45 1n18 h GLU 132 Ca -0.28 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 57.96 1n18 h GLU 132 Cb 1.24 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.88 1n18 h GLU 132 CO 0.38 -0.22 0.31 1.49 -1.18 0.00 0.00 179.01 179.80 1n18 h GLU 133 N -0.34 0.47 -0.85 1.92 4.57 -1.99 -2.29 114.58 116.07 1n18 h GLU 133 Ca 0.02 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1n18 h GLU 133 Cb 0.35 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 1n18 h GLU 133 CO -0.08 0.31 0.48 1.03 -1.18 0.00 0.00 179.01 179.57 1n18 h SER 134 N 0.48 1.05 -0.16 1.04 0.87 -1.80 0.17 113.55 115.18 1n18 h SER 134 Ca 0.20 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1n18 h SER 134 Cb 0.18 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1n18 h SER 134 CO -0.05 0.83 0.00 0.35 -0.53 0.00 0.00 176.83 177.43 1n18 n THR 135 N -4.35 0.22 0.03 2.23 -2.24 -0.87 -2.28 114.28 107.03 1n18 n THR 135 Ca 0.09 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1n18 n THR 135 Cb 0.08 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.02 0.00 0.00 -0.78 5.02 -0.67 -1.01 118.16 120.70 1n18 n LYS 136 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1n18 n LYS 136 Cb 0.16 -0.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.67 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 -3.33 0.00 -1.07 -0.18 -2.24 0.49 -4.66 114.28 103.29 1n18 n THR 137 Ca 0.00 -0.49 -0.03 0.00 -2.27 0.00 0.00 64.05 61.26 1n18 n THR 137 Cb 0.17 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.39 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 0.67 0.56 2.45 3.38 0.00 -0.96 -3.08 105.19 108.20 1n18 n GLY 138 Ca 0.00 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 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 0.20 -5.67 0.00 1.61 3.02 -1.25 -0.26 115.26 112.91 1n18 n ASN 139 Ca -0.03 -0.01 0.07 0.00 -0.03 0.00 0.00 54.58 54.59 1n18 n ASN 139 Cb 0.18 -4.72 0.32 0.00 -0.61 0.00 0.00 39.78 34.95 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 -2.15 1.70 -0.06 5.41 0.00 -1.18 -4.68 120.51 119.55 1n18 n ALA 140 Ca -0.23 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1n18 n ALA 140 Cb 0.67 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.03 -1.06 3.73 0.00 0.00 -1.26 -0.32 105.19 106.31 1n18 n GLY 141 Ca 0.04 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 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 3.80 -0.47 1.61 1.04 -1.26 -4.66 113.70 109.75 1n18 s SER 142 Ca 0.00 1.83 -0.20 0.00 0.48 0.00 0.00 55.95 58.06 1n18 s SER 142 Cb 0.00 -2.45 0.04 0.00 0.10 0.00 0.00 66.02 63.70 1n18 s SER 142 CO 0.00 -2.49 0.64 -0.13 0.98 0.00 0.00 173.24 172.24 1n18 s ARG 143 N -4.84 3.21 0.14 4.02 0.52 -1.26 -0.90 118.95 119.85 1n18 s ARG 143 Ca 0.63 -0.58 -0.03 0.00 -0.52 0.00 0.00 55.73 55.23 1n18 s ARG 143 Cb -0.19 -4.01 -0.05 0.00 0.52 0.00 0.00 34.95 31.22 1n18 s ARG 143 CO 0.57 -1.11 1.35 -0.07 0.02 0.00 0.00 175.30 176.06 1n18 h LEU 144 N 9.74 0.50 -7.00 2.53 3.38 -1.64 -3.47 115.31 119.34 1n18 h LEU 144 Ca -0.26 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.30 1n18 h LEU 144 Cb 1.09 -0.15 -0.18 0.00 0.09 0.00 0.00 40.66 41.51 1n18 h LEU 144 CO 0.92 1.16 0.25 0.00 0.09 0.00 0.00 178.44 180.86 1n18 s ALA 145 N -3.36 -1.76 0.25 1.53 0.00 -1.20 -4.09 121.76 113.13 1n18 s ALA 145 Ca -0.06 1.18 -0.16 0.00 0.00 0.00 0.00 51.96 52.93 1n18 s ALA 145 Cb 0.09 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.33 1n18 s ALA 145 CO 0.86 -0.45 0.55 0.00 0.00 0.00 0.00 175.76 176.71 1n18 s GLY 147 N -2.97 -0.37 0.26 0.00 0.00 -0.64 -1.63 107.32 101.98 1n18 s GLY 147 Ca 0.17 1.93 -0.30 0.00 0.00 0.00 0.00 44.72 46.53 1n18 s GLY 147 CO 0.06 1.22 1.12 0.14 0.00 0.00 0.00 173.10 175.64 1n18 s VAL 148 N -0.76 3.50 -0.45 1.40 1.01 -1.26 -1.00 120.40 122.84 1n18 s VAL 148 Ca -0.03 1.45 -0.26 0.00 0.00 0.00 0.00 61.98 63.14 1n18 s VAL 148 Cb -0.02 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.47 1n18 s VAL 148 CO 0.03 0.32 0.96 -0.63 0.00 0.00 0.00 175.10 175.78 1n18 s ILE 149 N -0.92 4.45 0.24 2.22 1.01 0.52 -4.44 121.20 124.28 1n18 s ILE 149 Ca 0.46 0.92 0.09 0.00 0.00 0.00 0.00 60.65 62.12 1n18 s ILE 149 Cb -0.32 -4.44 -0.04 0.00 0.01 0.00 0.00 42.46 37.66 1n18 s ILE 149 CO 0.40 -0.81 0.02 -0.83 0.00 0.00 0.00 174.94 173.72 1n18 s GLY 150 N 2.22 1.65 0.24 6.18 0.00 0.03 -0.55 107.32 117.09 1n18 s GLY 150 Ca 0.39 -1.54 -0.30 0.00 0.00 0.00 0.00 44.72 43.27 1n18 s GLY 150 CO 0.26 -1.59 1.49 -0.42 0.00 0.00 0.00 173.10 172.84 1n18 s ILE 151 N -2.11 2.55 0.30 0.90 1.01 -1.26 -1.00 121.20 121.59 1n18 s ILE 151 Ca 0.30 0.45 0.11 0.00 0.00 0.00 0.00 60.65 61.51 1n18 s ILE 151 Cb -0.07 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 1n18 s ILE 151 CO 0.20 0.07 -0.11 0.00 0.00 0.00 0.00 174.94 175.09 1n18 s ALA 152 N 0.19 2.93 -2.00 9.38 0.00 -0.44 -4.79 121.76 127.03 1n18 s ALA 152 Ca 0.62 -1.91 0.21 0.00 0.00 0.00 0.00 51.96 50.88 1n18 s ALA 152 Cb -0.43 -0.30 1.28 0.00 0.00 0.00 0.00 23.12 23.66 1n18 s ALA 152 CO 0.42 0.20 1.66 0.94 0.00 0.00 0.00 175.76 178.98