#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 1.39 -4.33 0.00 -1.04 -1.26 -4.69 114.28 104.35 1n18 n THR 2 Ca 0.00 -0.69 -0.21 0.00 -2.04 0.00 0.00 64.05 61.11 1n18 n THR 2 Cb 0.00 -0.95 -0.13 0.00 -1.82 0.00 0.00 70.33 67.44 1n18 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1n18 s LYS 3 N -2.49 1.02 0.08 -2.82 1.02 -1.26 -0.02 119.74 115.27 1n18 s LYS 3 Ca -0.22 -0.94 -0.04 0.00 0.02 0.00 0.00 55.97 54.78 1n18 s LYS 3 Cb 0.07 -1.11 -0.02 0.00 -0.52 0.00 0.00 37.83 36.25 1n18 s LYS 3 CO 0.69 0.27 0.08 0.00 -0.92 0.00 0.00 175.35 175.46 1n18 s ALA 4 N -1.03 0.22 0.01 5.17 0.00 -0.49 -0.92 121.76 124.72 1n18 s ALA 4 Ca 0.03 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 50.90 1n18 s ALA 4 Cb -0.09 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.47 1n18 s ALA 4 CO 0.02 -0.45 0.24 0.54 0.00 0.00 0.00 175.76 176.11 1n18 s VAL 5 N -3.91 0.08 -0.06 0.00 0.11 -0.00 0.22 120.40 116.84 1n18 s VAL 5 Ca 0.08 -0.68 -0.03 0.00 -2.93 0.00 0.00 61.98 58.42 1n18 s VAL 5 Cb 0.06 -0.71 0.04 0.00 -1.53 0.00 0.00 36.38 34.24 1n18 s VAL 5 CO -0.09 -0.37 0.13 0.00 -3.33 0.00 0.00 175.10 171.44 1n18 s ALA 6 N -1.90 -0.18 -0.35 1.54 0.00 -0.22 -0.56 121.76 120.08 1n18 s ALA 6 Ca -0.10 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.32 1n18 s ALA 6 Cb -0.04 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 1n18 s ALA 6 CO 0.00 -0.26 0.26 0.08 0.00 0.00 0.00 175.76 175.85 1n18 s VAL 7 N 1.46 5.27 -0.09 0.00 1.01 -1.26 -1.08 120.40 125.70 1n18 s VAL 7 Ca -0.06 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.40 1n18 s VAL 7 Cb -0.12 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1n18 s VAL 7 CO -0.05 -0.08 0.77 -0.76 0.00 0.00 0.00 175.10 174.98 1n18 s LEU 8 N 1.75 4.28 0.04 3.92 1.43 0.87 -4.08 118.68 126.89 1n18 s LEU 8 Ca 0.06 1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 54.29 1n18 s LEU 8 Cb -0.18 -3.19 0.01 0.00 0.03 0.00 0.00 46.19 42.87 1n18 s LEU 8 CO 0.11 -0.22 0.25 -0.54 0.23 0.00 0.00 176.35 176.18 1n18 s LYS 9 N 1.21 0.74 0.00 1.70 1.02 -0.86 -2.08 119.74 121.48 1n18 s LYS 9 Ca 0.40 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.83 1n18 s LYS 9 Cb -0.18 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.45 1n18 s LYS 9 CO 0.18 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 1n18 n GLY 10 N 0.67 2.70 0.10 -3.33 0.00 -1.24 -1.66 105.19 102.43 1n18 n GLY 10 Ca -0.19 -1.18 0.13 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.45 0.72 0.00 1.61 8.00 -1.26 -4.84 116.55 119.33 1n18 n ASP 11 Ca 0.00 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.10 1n18 n ASP 11 Cb 0.00 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.32 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 0.94 3.17 0.15 0.44 0.00 -1.26 -5.02 105.19 103.61 1n18 n GLY 12 Ca 0.05 -2.00 0.15 0.00 0.00 0.00 0.00 46.02 44.21 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 0.97 -2.53 1.61 -0.04 -1.26 -4.89 135.00 128.85 1n18 n PRO 13 Ca 0.00 -0.30 -0.42 0.00 -0.04 0.00 0.00 63.50 62.74 1n18 n PRO 13 Cb 0.00 -1.49 -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 -2.24 4.39 -0.01 0.52 1.01 -1.26 -4.40 120.40 118.40 1n18 s VAL 14 Ca 0.36 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 63.76 1n18 s VAL 14 Cb 0.21 -4.10 0.07 0.00 0.00 0.00 0.00 36.38 32.56 1n18 s VAL 14 CO 0.41 0.08 0.65 0.00 0.00 0.00 0.00 175.10 176.24 1n18 s GLN 15 N 1.51 1.07 0.06 2.72 -2.07 -1.00 -3.71 119.66 118.24 1n18 s GLN 15 Ca 0.55 0.12 -0.27 0.00 -1.82 0.00 0.00 55.36 53.94 1n18 s GLN 15 Cb -0.25 0.50 0.09 0.00 -1.09 0.00 0.00 33.01 32.27 1n18 s GLN 15 CO 0.25 -0.36 1.19 0.20 -1.32 0.00 0.00 175.29 175.25 1n18 s GLY 16 N -1.45 -0.14 -0.10 2.60 0.00 -0.88 -0.68 107.32 106.68 1n18 s GLY 16 Ca -0.09 0.10 -0.00 0.00 0.00 0.00 0.00 44.72 44.72 1n18 s GLY 16 CO 0.06 2.82 -0.07 -0.42 0.00 0.00 0.00 173.10 175.50 1n18 s ILE 17 N -2.28 0.89 -0.14 0.90 1.01 -0.63 -0.09 121.20 120.86 1n18 s ILE 17 Ca 0.22 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.65 1n18 s ILE 17 Cb 0.00 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.54 1n18 s ILE 17 CO 0.01 0.34 -0.16 -0.63 0.00 0.00 0.00 174.94 174.49 1n18 s ILE 18 N 1.59 2.68 0.10 2.92 -1.09 -0.24 -2.43 121.20 124.72 1n18 s ILE 18 Ca 0.02 -0.78 0.01 0.00 -2.23 0.00 0.00 60.65 57.67 1n18 s ILE 18 Cb -0.13 -2.12 -0.04 0.00 -1.58 0.00 0.00 42.46 38.60 1n18 s ILE 18 CO -0.06 0.52 0.22 0.20 -1.23 0.00 0.00 174.94 174.59 1n18 s ASN 19 N 0.61 6.22 0.02 3.58 0.01 0.55 -1.06 114.94 124.87 1n18 s ASN 19 Ca -0.09 0.19 0.04 0.00 -0.71 0.00 0.00 52.86 52.29 1n18 s ASN 19 Cb -0.16 -1.86 -0.02 0.00 0.41 0.00 0.00 41.25 39.62 1n18 s ASN 19 CO 0.03 0.13 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.25 1n18 s PHE 20 N -1.58 1.16 -0.19 2.20 0.08 0.13 -2.18 117.98 117.60 1n18 s PHE 20 Ca 0.34 -0.31 -0.10 0.00 0.12 0.00 0.00 56.93 56.98 1n18 s PHE 20 Cb -0.12 -0.71 0.06 0.00 -0.57 0.00 0.00 43.02 41.68 1n18 s PHE 20 CO 0.27 0.01 0.46 -2.00 -0.10 0.00 0.00 175.22 173.87 1n18 s GLU 21 N -0.86 0.45 -0.25 0.44 2.12 -0.60 -1.40 118.70 118.60 1n18 s GLU 21 Ca 0.02 0.88 -0.00 0.00 0.36 0.00 0.00 54.97 56.23 1n18 s GLU 21 Cb -0.07 0.03 0.07 0.00 0.26 0.00 0.00 34.13 34.42 1n18 s GLU 21 CO 0.01 -0.16 0.01 -1.14 -0.54 0.00 0.00 175.26 173.44 1n18 s GLN 22 N 1.52 1.15 0.16 4.30 0.74 0.98 -0.30 119.66 128.21 1n18 s GLN 22 Ca -0.09 -0.93 -0.12 0.00 0.05 0.00 0.00 55.36 54.27 1n18 s GLN 22 Cb -0.08 -2.37 0.05 0.00 1.10 0.00 0.00 33.01 31.70 1n18 s GLN 22 CO -0.14 -0.73 1.67 -0.22 -0.55 0.00 0.00 175.29 175.33 1n18 h LYS 23 N 8.03 0.87 -6.56 1.67 3.64 -1.83 -3.43 116.57 118.97 1n18 h LYS 23 Ca -0.15 -0.20 -0.70 0.00 -1.27 0.00 0.00 60.65 58.32 1n18 h LYS 23 Cb 1.07 -0.12 -0.29 0.00 -0.41 0.00 0.00 32.23 32.48 1n18 h LYS 23 CO 0.41 0.81 -0.88 -1.21 -2.27 0.00 0.00 179.45 176.32 1n18 s GLU 24 N -5.33 2.16 0.10 1.90 2.02 -1.26 -5.03 118.70 113.26 1n18 s GLU 24 Ca -0.13 -0.91 -0.18 0.00 0.02 0.00 0.00 54.97 53.77 1n18 s GLU 24 Cb 0.12 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 1n18 s GLU 24 CO 0.80 0.56 0.92 -1.13 0.02 0.00 0.00 175.26 176.43 1n18 n SER 25 N 2.44 -0.63 -1.29 -0.19 3.41 -1.26 0.30 113.62 116.41 1n18 n SER 25 Ca -0.16 1.06 0.08 0.00 -0.26 0.00 0.00 58.87 59.59 1n18 n SER 25 Cb 0.51 -0.14 0.32 0.00 -0.26 0.00 0.00 64.21 64.64 1n18 n SER 25 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1n18 n ASN 26 N -4.75 4.58 -3.19 4.04 2.04 -1.26 -4.74 115.26 111.98 1n18 n ASN 26 Ca 0.01 -2.92 -0.16 0.00 -0.44 0.00 0.00 54.58 51.07 1n18 n ASN 26 Cb 0.16 -0.59 0.11 0.00 -2.53 0.00 0.00 39.78 36.93 1n18 n ASN 26 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1n18 n GLY 27 N 0.03 -0.89 3.78 4.83 0.00 0.15 -5.05 105.19 108.04 1n18 n GLY 27 Ca 0.24 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 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 -4.52 3.08 -0.11 1.61 0.04 -1.26 -4.87 135.00 128.96 1n18 s PRO 28 Ca 0.43 1.38 -0.01 0.00 0.04 0.00 0.00 61.00 62.84 1n18 s PRO 28 Cb -0.01 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1n18 s PRO 28 CO 0.29 -1.03 -0.07 0.08 0.04 0.00 0.00 177.00 176.32 1n18 s VAL 29 N -2.25 3.65 -0.22 -0.36 1.01 0.13 -4.29 120.40 118.07 1n18 s VAL 29 Ca 0.67 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 1n18 s VAL 29 Cb -0.20 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1n18 s VAL 29 CO 0.37 0.54 0.33 -0.75 0.00 0.00 0.00 175.10 175.59 1n18 s LYS 30 N -0.15 4.12 -0.19 2.72 2.20 0.59 -1.70 119.74 127.33 1n18 s LYS 30 Ca 0.02 0.05 0.01 0.00 -0.36 0.00 0.00 55.97 55.68 1n18 s LYS 30 Cb -0.13 -3.56 0.02 0.00 -1.51 0.00 0.00 37.83 32.65 1n18 s LYS 30 CO 0.03 -0.06 -0.19 0.08 -0.36 0.00 0.00 175.35 174.85 1n18 s VAL 31 N 1.39 2.15 0.05 4.02 1.01 0.17 -1.55 120.40 127.64 1n18 s VAL 31 Ca 0.15 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 1n18 s VAL 31 Cb -0.15 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.33 1n18 s VAL 31 CO 0.07 0.50 0.32 -1.66 0.00 0.00 0.00 175.10 174.33 1n18 s TRP 32 N 1.29 -0.12 -4.22 5.22 -2.14 -0.93 0.75 118.94 118.80 1n18 s TRP 32 Ca 0.04 -0.03 0.00 0.00 2.66 0.00 0.00 56.10 58.77 1n18 s TRP 32 Cb -0.13 0.11 0.00 0.00 -3.10 0.00 0.00 33.47 30.35 1n18 s TRP 32 CO -0.12 -0.52 0.00 0.41 -2.66 0.00 0.00 176.95 174.06 1n18 n GLY 33 N 0.50 -0.52 3.10 3.67 0.00 -0.36 -0.33 105.19 111.24 1n18 n GLY 33 Ca -0.18 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.01 -0.02 1.61 0.15 -1.02 -0.61 113.70 109.81 1n18 s SER 34 Ca 0.00 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.54 1n18 s SER 34 Cb 0.00 0.23 0.01 0.00 -1.71 0.00 0.00 66.02 64.55 1n18 s SER 34 CO 0.00 -0.33 -0.04 -0.63 1.20 0.00 0.00 173.24 173.44 1n18 s ILE 35 N -1.17 0.38 0.34 6.45 1.01 -0.61 -1.61 121.20 125.99 1n18 s ILE 35 Ca -0.13 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.43 1n18 s ILE 35 Cb -0.07 -0.37 -0.06 0.00 0.01 0.00 0.00 42.46 41.97 1n18 s ILE 35 CO 0.01 0.14 0.05 -1.59 0.00 0.00 0.00 174.94 173.56 1n18 s LYS 36 N 0.34 1.71 -0.00 2.79 -2.85 0.15 -0.34 119.74 121.53 1n18 s LYS 36 Ca -0.04 -1.96 0.00 0.00 -1.00 0.00 0.00 55.97 52.98 1n18 s LYS 36 Cb -0.07 -0.96 0.00 0.00 -2.06 0.00 0.00 37.83 34.74 1n18 s LYS 36 CO -0.00 -0.18 0.00 0.41 0.10 0.00 0.00 175.35 175.67 1n18 n GLY 37 N -0.74 0.47 3.90 0.59 0.00 -0.84 -2.39 105.19 106.19 1n18 n GLY 37 Ca -0.03 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.01 3.96 0.37 0.99 1.43 -0.68 -4.33 118.68 120.42 1n18 s LEU 38 Ca 0.00 0.80 -0.26 0.00 -1.03 0.00 0.00 54.13 53.65 1n18 s LEU 38 Cb 0.00 -3.65 -0.09 0.00 0.03 0.00 0.00 46.19 42.48 1n18 s LEU 38 CO 0.00 -0.29 1.07 0.42 0.23 0.00 0.00 176.35 177.78 1n18 s THR 39 N -2.24 3.60 0.45 5.49 -4.23 -1.26 -3.89 115.64 113.56 1n18 s THR 39 Ca 0.45 1.34 -0.25 0.00 -1.18 0.00 0.00 61.69 62.05 1n18 s THR 39 Cb -0.10 -3.74 -0.09 0.00 1.34 0.00 0.00 72.50 69.90 1n18 s THR 39 CO 0.32 0.11 1.30 -1.84 -0.54 0.00 0.00 174.62 173.97 1n18 n GLU 40 N 0.28 1.93 0.00 3.99 0.28 -1.26 -4.71 120.64 121.15 1n18 n GLU 40 Ca 0.03 0.69 0.00 0.00 -0.16 0.00 0.00 57.16 57.72 1n18 n GLU 40 Cb 0.48 -2.44 0.00 0.00 1.43 0.00 0.00 31.44 30.91 1n18 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1n18 n GLY 41 N 0.78 0.29 3.80 -1.84 0.00 -0.53 -4.93 105.19 102.76 1n18 n GLY 41 Ca 0.07 -2.30 -0.36 0.00 0.00 0.00 0.00 46.02 43.43 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 4.29 -0.03 0.99 1.43 -1.26 -1.24 118.68 122.86 1n18 s LEU 42 Ca 0.00 1.61 -0.01 0.00 -1.03 0.00 0.00 54.13 54.70 1n18 s LEU 42 Cb 0.00 -3.88 0.03 0.00 0.03 0.00 0.00 46.19 42.37 1n18 s LEU 42 CO 0.00 -0.06 0.06 -1.00 0.23 0.00 0.00 176.35 175.58 1n18 s HIS 43 N -1.65 -0.02 0.51 0.29 3.76 -0.48 -3.10 115.29 114.59 1n18 s HIS 43 Ca 0.48 0.22 -0.21 0.00 -0.15 0.00 0.00 55.06 55.41 1n18 s HIS 43 Cb -0.16 -0.20 -0.08 0.00 1.11 0.00 0.00 32.58 33.24 1n18 s HIS 43 CO 0.21 -0.11 0.95 0.41 -0.85 0.00 0.00 174.74 175.35 1n18 n GLY 44 N 4.21 -0.35 2.68 -2.22 0.00 0.32 -1.69 105.19 108.14 1n18 n GLY 44 Ca -0.27 -0.00 -0.22 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 -1.42 -0.10 0.10 1.61 5.36 -0.10 -0.29 117.98 123.14 1n18 s PHE 45 Ca 0.69 -0.15 -0.02 0.00 -0.96 0.00 0.00 56.93 56.48 1n18 s PHE 45 Cb -0.49 -0.55 -0.03 0.00 -0.34 0.00 0.00 43.02 41.62 1n18 s PHE 45 CO 0.53 -0.67 0.05 -1.01 -1.46 0.00 0.00 175.22 172.66 1n18 s HIS 46 N 2.25 0.60 -0.31 10.12 3.76 -0.71 -2.15 115.29 128.86 1n18 s HIS 46 Ca 0.07 -1.06 -0.11 0.00 -0.15 0.00 0.00 55.06 53.81 1n18 s HIS 46 Cb -0.16 -0.36 -0.03 0.00 1.11 0.00 0.00 32.58 33.14 1n18 s HIS 46 CO -0.19 -0.48 0.20 0.08 -0.85 0.00 0.00 174.74 173.49 1n18 s VAL 47 N -3.97 5.11 0.32 -0.90 1.01 -0.17 -0.43 120.40 121.37 1n18 s VAL 47 Ca 0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1n18 s VAL 47 Cb 0.07 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 1n18 s VAL 47 CO -0.05 0.12 0.59 -1.00 0.00 0.00 0.00 175.10 174.77 1n18 s HIS 48 N 1.71 3.48 0.18 5.22 3.76 0.30 -0.80 115.29 129.14 1n18 s HIS 48 Ca 0.06 0.67 -0.18 0.00 -0.15 0.00 0.00 55.06 55.47 1n18 s HIS 48 Cb -0.17 -2.14 0.12 0.00 1.11 0.00 0.00 32.58 31.51 1n18 s HIS 48 CO 0.10 0.11 1.64 1.49 -0.85 0.00 0.00 174.74 177.22 1n18 h GLU 49 N 1.46 -0.08 -5.62 1.40 4.81 -0.66 -2.65 114.58 113.24 1n18 h GLU 49 Ca -0.48 0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 58.11 1n18 h GLU 49 Cb 1.19 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.45 1n18 h GLU 49 CO 0.65 -0.05 -0.58 -0.06 -0.73 0.00 0.00 179.01 178.24 1n18 s PHE 50 N -6.17 3.26 -0.57 0.92 0.08 -0.04 -4.65 117.98 110.81 1n18 s PHE 50 Ca -0.14 0.17 -0.05 0.00 0.12 0.00 0.00 56.93 57.03 1n18 s PHE 50 Cb 0.15 -1.93 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 1n18 s PHE 50 CO 0.71 0.36 2.86 0.41 -0.10 0.00 0.00 175.22 179.46 1n18 n GLY 51 N 2.72 4.26 3.19 4.36 0.00 -1.13 -3.78 105.19 114.81 1n18 n GLY 51 Ca -0.18 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 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 0.71 4.34 -0.17 1.61 3.68 -1.26 -4.95 116.67 120.63 1n18 s ASP 52 Ca 0.60 -0.91 0.17 0.00 2.13 0.00 0.00 52.55 54.54 1n18 s ASP 52 Cb 0.33 -1.66 0.48 0.00 -1.45 0.00 0.00 42.92 40.62 1n18 s ASP 52 CO -0.16 -0.14 1.37 -3.20 0.13 0.00 0.00 175.17 173.18 1n18 n ASN 53 N 4.66 3.54 -0.17 -0.34 4.05 -1.26 -2.53 115.26 123.20 1n18 n ASN 53 Ca -0.16 -3.07 -0.01 0.00 0.45 0.00 0.00 54.58 51.79 1n18 n ASN 53 Cb 0.47 -0.53 0.07 0.00 1.23 0.00 0.00 39.78 41.02 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 1.42 0.58 -2.32 -0.44 1.35 -1.94 -2.93 112.91 108.64 1n18 h THR 54 Ca 0.01 -0.04 -0.64 0.00 -0.55 0.00 0.00 66.41 65.19 1n18 h THR 54 Cb 1.37 0.44 -0.39 0.00 -1.73 0.00 0.00 68.15 67.84 1n18 h THR 54 CO 0.19 0.02 -0.31 0.00 -0.25 0.00 0.00 175.52 175.17 1n18 n ALA 55 N -2.70 4.55 -0.84 6.62 0.00 -1.26 -5.07 120.51 121.81 1n18 n ALA 55 Ca 0.07 -4.75 0.00 0.00 0.00 0.00 0.00 53.44 48.76 1n18 n ALA 55 Cb 0.30 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.51 -0.42 0.08 0.00 0.00 -1.11 -3.33 105.19 100.92 1n18 n GLY 56 Ca 0.31 -1.00 0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 1.19 0.00 0.00 2.02 -1.88 -2.05 112.91 112.19 1n18 h THR 58 Ca 0.00 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1n18 h THR 58 Cb 0.27 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1n18 h THR 58 CO 0.00 0.22 0.00 0.28 0.37 0.00 0.00 175.52 176.39 1n18 h SER 59 N 0.85 0.00 0.10 4.18 0.02 -1.57 -2.80 113.55 114.32 1n18 h SER 59 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1n18 h SER 59 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1n18 h SER 59 CO -0.03 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.66 1n18 h ALA 60 N 2.08 1.00 -0.05 3.77 0.00 -1.07 -3.41 119.26 121.59 1n18 h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n18 h ALA 60 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1n18 h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1n18 n GLY 61 N -1.01 -1.19 3.54 0.00 0.00 -1.06 -0.86 105.19 104.61 1n18 n GLY 61 Ca -0.02 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 -0.57 -1.93 1.61 -0.04 -1.26 -4.74 135.00 128.06 1n18 n PRO 62 Ca 0.00 -2.21 -0.42 0.00 -0.04 0.00 0.00 63.50 60.83 1n18 n PRO 62 Cb 0.00 -0.90 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 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 2.97 -0.27 0.54 3.76 -1.26 -0.25 115.29 117.58 1n18 s HIS 63 Ca 0.64 0.85 -0.33 0.00 -0.15 0.00 0.00 55.06 56.07 1n18 s HIS 63 Cb -0.03 -3.91 -0.10 0.00 1.11 0.00 0.00 32.58 29.65 1n18 s HIS 63 CO 0.44 -3.11 2.14 0.34 -0.85 0.00 0.00 174.74 173.70 1n18 n PHE 64 N 2.76 1.83 -3.25 1.40 -0.00 0.02 -4.49 117.46 115.73 1n18 n PHE 64 Ca 0.09 0.13 -0.25 0.00 -0.00 0.00 0.00 57.45 57.42 1n18 n PHE 64 Cb 0.39 -2.61 -0.07 0.00 -0.00 0.00 0.00 39.48 37.19 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 9.78 0.67 0.23 -2.13 5.15 -1.26 -1.87 115.26 125.83 1n18 n ASN 65 Ca 0.35 -2.78 0.16 0.00 -0.60 0.00 0.00 54.58 51.71 1n18 n ASN 65 Cb 0.30 -0.64 0.72 0.00 -0.53 0.00 0.00 39.78 39.63 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 4.16 0.00 -0.48 1.20 0.13 -1.93 -2.59 132.00 132.49 1n18 h PRO 66 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1n18 h PRO 66 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1n18 h PRO 66 CO 0.51 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.56 1n18 n LEU 67 N -2.72 3.53 -3.79 1.56 4.77 -1.26 -4.99 117.00 114.09 1n18 n LEU 67 Ca 0.00 -1.68 -0.33 0.00 -0.03 0.00 0.00 56.01 53.97 1n18 n LEU 67 Cb 0.20 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1n18 n LEU 67 CO 0.21 0.81 -0.12 -1.20 -1.33 0.00 0.00 177.39 175.76 1n18 n SER 68 N 1.43 -4.16 -4.79 -1.43 7.64 -0.98 -5.00 113.62 106.34 1n18 n SER 68 Ca 0.20 -1.06 -0.28 0.00 1.01 0.00 0.00 58.87 58.74 1n18 n SER 68 Cb 0.59 -3.06 -0.06 0.00 -1.01 0.00 0.00 64.21 60.67 1n18 n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1n18 s ARG 69 N -6.31 2.21 0.68 1.43 0.52 -1.26 -5.13 118.95 111.08 1n18 s ARG 69 Ca 0.39 -2.08 -0.11 0.00 -0.52 0.00 0.00 55.73 53.41 1n18 s ARG 69 Cb -0.15 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.46 1n18 s ARG 69 CO 0.88 -0.34 1.06 0.15 0.02 0.00 0.00 175.30 177.08 1n18 s LYS 70 N -4.00 3.02 0.68 3.54 -0.14 -1.26 -4.70 119.74 116.88 1n18 s LYS 70 Ca 0.28 0.47 -0.13 0.00 -1.36 0.00 0.00 55.97 55.23 1n18 s LYS 70 Cb 0.02 -2.06 0.01 0.00 -1.68 0.00 0.00 37.83 34.12 1n18 s LYS 70 CO 0.16 -0.91 1.08 -1.58 -0.76 0.00 0.00 175.35 173.34 1n18 s HIS 71 N -3.29 2.83 0.00 3.18 5.65 -0.38 -3.04 115.29 120.24 1n18 s HIS 71 Ca 0.57 1.51 0.00 0.00 0.25 0.00 0.00 55.06 57.39 1n18 s HIS 71 Cb -0.11 -3.02 0.00 0.00 -1.18 0.00 0.00 32.58 28.27 1n18 s HIS 71 CO 0.52 -1.45 0.00 0.41 -0.65 0.00 0.00 174.74 173.56 1n18 n GLY 72 N -1.18 0.83 3.94 1.59 0.00 -1.26 -4.50 105.19 104.61 1n18 n GLY 72 Ca 0.09 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.18 1.38 0.62 -0.02 0.00 -1.07 -4.64 107.32 101.41 1n18 s GLY 73 Ca 0.00 -0.90 0.32 0.00 0.00 0.00 0.00 44.72 44.13 1n18 s GLY 73 CO 0.00 -0.82 2.07 -0.56 0.00 0.00 0.00 173.10 173.79 1n18 h PRO 74 N 0.66 0.00 0.00 2.90 0.13 -1.89 0.13 132.00 133.93 1n18 h PRO 74 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1n18 h PRO 74 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1n18 h PRO 74 CO 0.61 0.00 -0.38 1.63 -0.23 0.00 0.00 178.00 179.63 1n18 n LYS 75 N -3.45 0.12 -2.78 0.86 5.02 -1.26 -4.88 118.16 111.79 1n18 n LYS 75 Ca 0.01 0.05 -0.40 0.00 -2.02 0.00 0.00 58.31 55.95 1n18 n LYS 75 Cb 0.34 -1.59 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 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 -3.54 7.61 0.04 4.39 -0.00 0.03 -4.97 116.67 120.24 1n18 s ASP 76 Ca 0.10 1.91 -0.25 0.00 -0.00 0.00 0.00 52.55 54.31 1n18 s ASP 76 Cb 0.16 -2.60 -0.17 0.00 -0.00 0.00 0.00 42.92 40.31 1n18 s ASP 76 CO 0.66 0.16 1.51 -0.08 -0.00 0.00 0.00 175.17 177.41 1n18 h GLU 77 N 4.23 -0.07 -6.29 8.23 4.57 -1.90 -3.37 114.58 119.99 1n18 h GLU 77 Ca -0.45 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.19 1n18 h GLU 77 Cb 1.20 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 29.72 1n18 h GLU 77 CO 0.68 0.16 1.01 -2.00 -1.18 0.00 0.00 179.01 177.68 1n18 s GLU 78 N -5.30 3.19 0.12 1.92 2.56 -1.26 -4.93 118.70 114.99 1n18 s GLU 78 Ca -0.14 -0.28 -0.25 0.00 0.00 0.00 0.00 54.97 54.29 1n18 s GLU 78 Cb 0.04 -4.18 0.07 0.00 2.00 0.00 0.00 34.13 32.06 1n18 s GLU 78 CO 0.65 -2.11 0.85 -0.98 -0.56 0.00 0.00 175.26 173.11 1n18 s ARG 79 N 5.57 1.16 0.41 4.30 1.04 -1.17 -4.16 118.95 126.11 1n18 s ARG 79 Ca 0.34 -0.55 -0.23 0.00 -1.04 0.00 0.00 55.73 54.25 1n18 s ARG 79 Cb -0.09 0.45 -0.09 0.00 -2.04 0.00 0.00 34.95 33.18 1n18 s ARG 79 CO 0.15 -0.52 1.01 -1.01 -0.04 0.00 0.00 175.30 174.89 1n18 s HIS 80 N -3.39 3.27 0.41 5.89 3.76 -1.21 -4.72 115.29 119.31 1n18 s HIS 80 Ca 0.08 1.64 0.11 0.00 -0.15 0.00 0.00 55.06 56.74 1n18 s HIS 80 Cb -0.02 -3.04 0.94 0.00 1.11 0.00 0.00 32.58 31.58 1n18 s HIS 80 CO -0.03 -0.47 1.98 0.28 -0.85 0.00 0.00 174.74 175.65 1n18 h VAL 81 N 2.06 0.94 -0.13 -0.90 2.07 -1.84 -1.61 116.25 116.83 1n18 h VAL 81 Ca -0.48 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1n18 h VAL 81 Cb 1.21 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1n18 h VAL 81 CO 0.62 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.91 1n18 n GLY 82 N -1.50 -0.24 3.57 2.17 0.00 -0.78 -4.28 105.19 104.13 1n18 n GLY 82 Ca 0.10 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.30 6.18 -0.24 1.61 1.01 -0.61 -1.00 116.67 122.33 1n18 s ASP 83 Ca 0.22 0.04 0.13 0.00 0.71 0.00 0.00 52.55 53.65 1n18 s ASP 83 Cb 0.11 -2.55 0.55 0.00 1.01 0.00 0.00 42.92 42.04 1n18 s ASP 83 CO 0.17 -1.71 1.49 0.18 0.21 0.00 0.00 175.17 175.50 1n18 n LEU 84 N 9.36 4.28 0.00 1.23 4.77 -0.91 -3.68 117.00 132.05 1n18 n LEU 84 Ca 0.09 -3.29 0.00 0.00 -0.03 0.00 0.00 56.01 52.79 1n18 n LEU 84 Cb 0.49 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1n18 n LEU 84 CO 0.71 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 178.25 1n18 n GLY 85 N -0.68 2.68 3.30 -0.72 0.00 -1.23 -4.74 105.19 103.80 1n18 n GLY 85 Ca 0.28 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 2.54 0.22 1.61 0.01 -1.26 -0.92 114.94 113.14 1n18 s ASN 86 Ca 0.00 -0.76 0.09 0.00 -0.71 0.00 0.00 52.86 51.48 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 0.01 -0.07 0.68 -1.51 0.00 0.00 177.10 176.21 1n18 s VAL 87 N -1.56 3.24 -0.17 1.60 -7.23 -0.68 -4.91 120.40 110.70 1n18 s VAL 87 Ca 0.10 -1.80 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1n18 s VAL 87 Cb -0.08 -2.66 0.02 0.00 0.56 0.00 0.00 36.38 34.22 1n18 s VAL 87 CO 0.05 -0.23 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.52 1n18 s THR 88 N -1.98 2.03 -0.06 5.32 2.01 -1.26 -1.38 115.64 120.31 1n18 s THR 88 Ca 0.28 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 61.19 1n18 s THR 88 Cb -0.08 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 1n18 s THR 88 CO 0.17 0.54 0.40 0.00 -0.69 0.00 0.00 174.62 175.04 1n18 s ALA 89 N 1.18 3.63 1.03 7.40 0.00 -0.37 -4.12 121.76 130.51 1n18 s ALA 89 Ca 0.02 -0.26 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 1n18 s ALA 89 Cb -0.14 -2.44 0.23 0.00 0.00 0.00 0.00 23.12 20.77 1n18 s ALA 89 CO -0.10 0.30 1.27 -0.40 0.00 0.00 0.00 175.76 176.83 1n18 n ASP 90 N 2.58 -0.16 -0.28 0.00 3.85 0.11 -1.45 116.55 121.19 1n18 n ASP 90 Ca -0.12 -1.43 0.34 0.00 -0.71 0.00 0.00 54.79 52.87 1n18 n ASP 90 Cb 0.52 -0.99 0.73 0.00 -1.35 0.00 0.00 41.12 40.03 1n18 n ASP 90 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 1n18 h LYS 91 N 0.00 0.00 -0.62 0.11 3.64 -1.97 0.24 116.57 117.96 1n18 h LYS 91 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1n18 h LYS 91 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1n18 h LYS 91 CO 0.29 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.22 1n18 n ASP 92 N -4.00 3.73 -0.18 4.20 10.43 -1.26 -4.80 116.55 124.66 1n18 n ASP 92 Ca 0.24 -2.30 -0.02 0.00 2.57 0.00 0.00 54.79 55.28 1n18 n ASP 92 Cb 1.24 -0.49 -0.01 0.00 1.84 0.00 0.00 41.12 43.70 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 0.57 3.49 0.44 0.00 0.83 -4.70 105.19 106.84 1n18 n GLY 93 Ca 0.20 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.03 3.98 -0.23 1.61 1.01 -1.25 -1.68 120.40 121.81 1n18 s VAL 94 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1n18 s VAL 94 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1n18 s VAL 94 CO 0.00 0.46 -0.05 0.00 0.00 0.00 0.00 175.10 175.51 1n18 s ALA 95 N 0.63 2.77 -0.35 5.51 0.00 0.53 0.04 121.76 130.90 1n18 s ALA 95 Ca -0.01 -1.28 -0.22 0.00 0.00 0.00 0.00 51.96 50.45 1n18 s ALA 95 Cb -0.14 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1n18 s ALA 95 CO 0.02 -0.57 0.70 0.34 0.00 0.00 0.00 175.76 176.25 1n18 s ASP 96 N 1.42 6.50 -0.17 0.00 -1.08 -1.26 -1.58 116.67 120.50 1n18 s ASP 96 Ca 0.04 0.30 -0.14 0.00 -0.52 0.00 0.00 52.55 52.23 1n18 s ASP 96 Cb -0.15 -2.36 -0.05 0.00 -1.46 0.00 0.00 42.92 38.91 1n18 s ASP 96 CO -0.04 -0.63 0.31 -0.69 0.52 0.00 0.00 175.17 174.64 1n18 s VAL 97 N 2.85 5.29 -0.27 1.11 1.01 0.22 -4.81 120.40 125.80 1n18 s VAL 97 Ca 0.28 0.56 -0.00 0.00 0.00 0.00 0.00 61.98 62.81 1n18 s VAL 97 Cb -0.14 -3.64 0.14 0.00 0.00 0.00 0.00 36.38 32.74 1n18 s VAL 97 CO 0.15 0.36 0.35 -0.55 0.00 0.00 0.00 175.10 175.41 1n18 s SER 98 N 0.63 0.79 0.08 3.32 0.15 -1.25 -1.23 113.70 116.20 1n18 s SER 98 Ca 0.16 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.54 1n18 s SER 98 Cb -0.13 0.88 -0.03 0.00 -1.71 0.00 0.00 66.02 65.03 1n18 s SER 98 CO 0.05 -0.35 -0.12 -0.63 1.20 0.00 0.00 173.24 173.39 1n18 s ILE 99 N 2.48 1.01 -0.10 6.45 1.01 0.23 -5.01 121.20 127.26 1n18 s ILE 99 Ca 0.10 -1.37 -0.01 0.00 0.00 0.00 0.00 60.65 59.37 1n18 s ILE 99 Cb -0.14 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.26 1n18 s ILE 99 CO -0.26 -0.33 -0.06 -0.70 0.00 0.00 0.00 174.94 173.59 1n18 s GLU 100 N -2.01 1.35 -0.01 2.79 2.56 -1.26 -0.65 118.70 121.47 1n18 s GLU 100 Ca -0.01 -0.19 0.02 0.00 0.00 0.00 0.00 54.97 54.79 1n18 s GLU 100 Cb -0.08 -1.46 -0.00 0.00 2.00 0.00 0.00 34.13 34.59 1n18 s GLU 100 CO 0.02 -0.26 -0.06 0.34 -0.56 0.00 0.00 175.26 174.73 1n18 s ASP 101 N 1.72 0.76 0.00 -1.70 -1.08 -0.69 -4.97 116.67 110.71 1n18 s ASP 101 Ca 0.04 -0.12 0.15 0.00 -0.52 0.00 0.00 52.55 52.10 1n18 s ASP 101 Cb -0.13 -0.10 0.16 0.00 -1.46 0.00 0.00 42.92 41.39 1n18 s ASP 101 CO -0.07 0.07 1.02 -1.54 0.52 0.00 0.00 175.17 175.17 1n18 n SER 102 N 2.98 2.38 -0.05 -0.34 3.41 -1.26 0.21 113.62 120.95 1n18 n SER 102 Ca -0.14 -1.67 -0.21 0.00 -0.26 0.00 0.00 58.87 56.59 1n18 n SER 102 Cb 0.57 -0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 64.35 1n18 n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1n18 n VAL 103 N 0.83 1.67 -1.67 -3.33 0.31 -1.26 -4.84 118.33 110.04 1n18 n VAL 103 Ca 0.10 -0.55 -0.30 0.00 -0.01 0.00 0.00 64.34 63.57 1n18 n VAL 103 Cb 0.39 -1.69 0.07 0.00 -0.91 0.00 0.00 33.84 31.69 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 3.45 0.17 2.52 -4.36 -1.26 -4.98 121.20 114.21 1n18 s ILE 104 Ca -0.27 0.47 -0.16 0.00 -0.26 0.00 0.00 60.65 60.43 1n18 s ILE 104 Cb 0.08 -3.30 0.03 0.00 1.25 0.00 0.00 42.46 40.52 1n18 s ILE 104 CO 0.69 -0.61 0.45 -0.55 0.24 0.00 0.00 174.94 175.16 1n18 s SER 105 N -4.03 -0.22 -0.22 4.36 0.15 -1.16 -4.62 113.70 107.96 1n18 s SER 105 Ca 0.59 -0.46 0.15 0.00 0.70 0.00 0.00 55.95 56.92 1n18 s SER 105 Cb -0.13 0.53 0.62 0.00 -1.71 0.00 0.00 66.02 65.32 1n18 s SER 105 CO 0.54 -0.96 1.55 0.18 1.20 0.00 0.00 173.24 175.74 1n18 n LEU 106 N -0.29 4.61 -3.56 3.45 4.77 -1.26 -1.35 117.00 123.36 1n18 n LEU 106 Ca -0.12 -3.10 -0.13 0.00 -0.03 0.00 0.00 56.01 52.63 1n18 n LEU 106 Cb 0.63 -0.61 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1n18 n LEU 106 CO 0.18 0.74 0.68 -0.94 -1.33 0.00 0.00 177.39 176.72 1n18 s SER 107 N -1.64 -0.45 0.00 -1.43 1.04 -1.26 -2.16 113.70 107.80 1n18 s SER 107 Ca 0.47 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1n18 s SER 107 Cb 0.38 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1n18 s SER 107 CO 0.10 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1n18 n GLY 108 N 0.79 -2.06 0.31 7.32 0.00 -1.26 -3.92 105.19 106.36 1n18 n GLY 108 Ca -0.13 -1.76 0.19 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.47 1.61 3.45 -2.01 -1.39 116.42 117.60 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 -3.37 1.35 -2.20 4.55 8.25 -1.26 -4.97 115.22 117.56 1n18 n HIS 110 Ca -0.03 -0.71 -0.41 0.00 -0.26 0.00 0.00 57.72 56.31 1n18 n HIS 110 Cb 0.11 -0.31 -0.03 0.00 1.12 0.00 0.00 29.99 30.88 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 -1.22 6.88 0.00 0.41 0.15 -0.53 -2.98 113.70 116.41 1n18 s SER 111 Ca 0.46 2.49 0.24 0.00 0.70 0.00 0.00 55.95 59.84 1n18 s SER 111 Cb 0.33 -2.62 0.32 0.00 -1.71 0.00 0.00 66.02 62.34 1n18 s SER 111 CO 0.16 -0.50 1.34 2.30 1.20 0.00 0.00 173.24 177.75 1n18 n ILE 112 N 1.93 0.28 -1.80 6.45 -5.35 -0.46 -4.91 119.36 115.51 1n18 n ILE 112 Ca 0.04 -0.64 -0.42 0.00 -0.27 0.00 0.00 62.75 61.46 1n18 n ILE 112 Cb 0.42 1.21 -0.03 0.00 -1.74 0.00 0.00 39.64 39.51 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 -1.72 2.43 0.00 7.28 -1.09 -1.26 -1.42 121.20 125.42 1n18 s ILE 113 Ca 0.34 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.94 1n18 s ILE 113 Cb 0.22 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 1n18 s ILE 113 CO 0.31 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 1n18 n GLY 114 N 4.00 0.82 0.32 6.18 0.00 0.26 -5.00 105.19 111.77 1n18 n GLY 114 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.02 1.13 -5.06 1.61 1.74 -0.51 -2.82 116.66 110.72 1n18 n ARG 115 Ca 0.00 -0.26 -0.32 0.00 -0.77 0.00 0.00 57.85 56.50 1n18 n ARG 115 Cb 0.00 -0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.29 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 0.39 2.56 -0.18 0.55 2.01 -1.00 -0.54 115.64 119.42 1n18 s THR 116 Ca 0.04 -0.89 -0.11 0.00 0.31 0.00 0.00 61.69 61.04 1n18 s THR 116 Cb -0.00 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 1n18 s THR 116 CO 0.03 0.57 0.19 -0.22 -0.69 0.00 0.00 174.62 174.50 1n18 s LEU 117 N -0.33 4.23 -0.01 4.42 2.96 -0.03 0.11 118.68 130.03 1n18 s LEU 117 Ca 0.02 0.34 0.05 0.00 -0.22 0.00 0.00 54.13 54.32 1n18 s LEU 117 Cb -0.13 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.36 1n18 s LEU 117 CO 0.02 0.16 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.36 1n18 s VAL 118 N 0.36 1.25 -0.16 1.68 1.01 0.42 -1.72 120.40 123.24 1n18 s VAL 118 Ca 0.11 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1n18 s VAL 118 Cb -0.12 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.21 1n18 s VAL 118 CO 0.00 0.33 -0.13 0.54 0.00 0.00 0.00 175.10 175.84 1n18 s VAL 119 N -0.40 2.85 0.49 2.92 0.11 -0.77 -1.74 120.40 123.86 1n18 s VAL 119 Ca 0.06 -0.70 -0.02 0.00 -2.93 0.00 0.00 61.98 58.39 1n18 s VAL 119 Cb -0.06 -2.22 -0.00 0.00 -1.53 0.00 0.00 36.38 32.57 1n18 s VAL 119 CO -0.00 0.50 0.74 -1.00 -3.33 0.00 0.00 175.10 172.01 1n18 s HIS 120 N 0.85 3.26 0.22 1.54 3.76 0.60 -1.92 115.29 123.60 1n18 s HIS 120 Ca -0.04 0.39 -0.08 0.00 -0.15 0.00 0.00 55.06 55.18 1n18 s HIS 120 Cb -0.15 -2.42 0.17 0.00 1.11 0.00 0.00 32.58 31.29 1n18 s HIS 120 CO -0.00 -0.47 1.83 1.49 -0.85 0.00 0.00 174.74 176.74 1n18 h GLU 121 N 0.24 1.15 -5.06 1.40 4.81 -0.91 -3.36 114.58 112.84 1n18 h GLU 121 Ca -0.46 -0.15 -0.61 0.00 -0.13 0.00 0.00 59.36 58.01 1n18 h GLU 121 Cb 1.25 -0.22 -0.13 0.00 0.63 0.00 0.00 28.75 30.28 1n18 h GLU 121 CO 0.59 0.86 -0.50 0.15 -0.73 0.00 0.00 179.01 179.38 1n18 s LYS 122 N -5.80 2.06 0.50 1.92 1.02 0.63 -4.92 119.74 115.15 1n18 s LYS 122 Ca -0.13 -2.29 -0.21 0.00 0.02 0.00 0.00 55.97 53.36 1n18 s LYS 122 Cb 0.16 -0.88 -0.07 0.00 -0.52 0.00 0.00 37.83 36.52 1n18 s LYS 122 CO 0.82 -0.48 1.15 0.00 -0.92 0.00 0.00 175.35 175.92 1n18 s ALA 123 N -3.09 2.84 -0.25 5.17 0.00 -1.18 -0.52 121.76 124.73 1n18 s ALA 123 Ca 0.16 0.89 -0.18 0.00 0.00 0.00 0.00 51.96 52.83 1n18 s ALA 123 Cb 0.01 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1n18 s ALA 123 CO 0.10 -0.72 0.52 0.34 0.00 0.00 0.00 175.76 176.00 1n18 s ASP 124 N -1.54 6.46 0.00 0.00 3.68 -1.26 -3.93 116.67 120.08 1n18 s ASP 124 Ca 0.68 0.55 0.09 0.00 2.13 0.00 0.00 52.55 56.01 1n18 s ASP 124 Cb -0.27 -2.28 0.55 0.00 -1.45 0.00 0.00 42.92 39.47 1n18 s ASP 124 CO 0.31 -0.27 1.10 -0.90 0.13 0.00 0.00 175.17 175.54 1n18 n ASP 125 N 5.43 0.00 -1.53 -0.34 3.85 0.02 -4.84 116.55 119.14 1n18 n ASP 125 Ca -0.04 -1.06 -0.20 0.00 -0.71 0.00 0.00 54.79 52.79 1n18 n ASP 125 Cb 0.50 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.18 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 -0.71 -1.39 0.00 -2.12 4.77 -1.26 -1.99 117.00 114.29 1n18 n LEU 126 Ca 0.07 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1n18 n LEU 126 Cb 0.03 -2.84 0.00 0.00 -2.33 0.00 0.00 43.42 38.28 1n18 n LEU 126 CO 0.05 -1.09 0.00 0.61 -1.33 0.00 0.00 177.39 175.64 1n18 n GLY 127 N -0.32 0.75 1.41 -0.72 0.00 -1.26 -2.61 105.19 102.44 1n18 n GLY 127 Ca -0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.25 2.27 0.23 1.61 4.01 -0.84 -4.63 118.16 118.56 1n18 n LYS 128 Ca 0.00 -3.09 0.11 0.00 -0.51 0.00 0.00 58.31 54.82 1n18 n LYS 128 Cb 0.00 -1.93 0.51 0.00 -0.51 0.00 0.00 35.03 33.09 1n18 n LYS 128 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 1n18 h GLY 129 N 1.29 0.00 0.00 0.72 0.00 -1.89 -3.47 103.07 99.72 1n18 h GLY 129 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1n18 h GLY 129 CO 0.54 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.69 1n18 n GLY 130 N 0.03 0.64 3.33 4.60 0.00 -1.26 -5.01 105.19 107.52 1n18 n GLY 130 Ca -0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.46 0.22 0.14 1.61 2.20 -1.26 -5.06 114.94 110.33 1n18 s ASN 131 Ca 0.00 -1.28 -0.16 0.00 -0.94 0.00 0.00 52.86 50.48 1n18 s ASN 131 Cb 0.00 0.47 0.01 0.00 -2.00 0.00 0.00 41.25 39.73 1n18 s ASN 131 CO 0.00 -0.97 1.74 -0.08 -2.94 0.00 0.00 177.10 174.85 1n18 h GLU 132 N 2.46 0.60 -0.71 3.55 4.81 -2.00 -2.87 114.58 120.42 1n18 h GLU 132 Ca -0.32 -0.08 0.11 0.00 -0.13 0.00 0.00 59.36 58.94 1n18 h GLU 132 Cb 1.25 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 30.44 1n18 h GLU 132 CO 0.46 0.50 0.32 1.49 -0.73 0.00 0.00 179.01 181.05 1n18 h GLU 133 N 0.55 0.50 -0.77 1.92 4.57 -1.99 -1.07 114.58 118.29 1n18 h GLU 133 Ca 0.15 -0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.39 1n18 h GLU 133 Cb 0.08 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.51 1n18 h GLU 133 CO -0.02 0.33 0.50 1.03 -1.18 0.00 0.00 179.01 179.67 1n18 h SER 134 N 0.52 0.65 0.27 1.04 0.87 -1.85 0.32 113.55 115.36 1n18 h SER 134 Ca 0.37 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1n18 h SER 134 Cb 0.46 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1n18 h SER 134 CO -0.32 0.39 0.00 0.35 -0.53 0.00 0.00 176.83 176.72 1n18 n THR 135 N -4.50 0.06 -0.05 2.23 -2.24 -0.42 -2.09 114.28 107.27 1n18 n THR 135 Ca 0.13 0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.82 1n18 n THR 135 Cb 0.31 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 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 -1.15 0.24 0.00 -0.78 5.02 0.83 -1.25 118.16 121.07 1n18 n LYS 136 Ca 0.17 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1n18 n LYS 136 Cb 0.16 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 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 -3.63 0.00 -1.02 -0.18 -2.24 0.56 -4.75 114.28 103.02 1n18 n THR 137 Ca -0.19 -0.44 -0.01 0.00 -2.27 0.00 0.00 64.05 61.15 1n18 n THR 137 Cb 0.54 0.97 -0.00 0.00 -2.10 0.00 0.00 70.33 69.74 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 1.01 0.48 3.56 3.38 0.00 -0.89 -3.41 105.19 109.32 1n18 n GLY 138 Ca 0.00 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 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 0.61 -5.17 0.00 1.61 3.02 -1.26 -0.80 115.26 113.26 1n18 n ASN 139 Ca -0.01 -0.56 0.11 0.00 -0.03 0.00 0.00 54.58 54.10 1n18 n ASN 139 Cb 0.05 -4.15 0.55 0.00 -0.61 0.00 0.00 39.78 35.63 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 -4.27 2.14 -0.05 5.41 0.00 -1.22 -4.70 120.51 117.81 1n18 n ALA 140 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1n18 n ALA 140 Cb 0.55 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.81 -1.28 3.51 0.00 0.00 -1.26 -0.27 105.19 106.70 1n18 n GLY 141 Ca 0.09 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 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 0.86 -0.44 1.61 1.04 -1.26 -4.61 113.70 106.90 1n18 s SER 142 Ca 0.00 1.09 -0.09 0.00 0.48 0.00 0.00 55.95 57.42 1n18 s SER 142 Cb 0.00 -1.65 0.09 0.00 0.10 0.00 0.00 66.02 64.57 1n18 s SER 142 CO 0.00 -4.21 0.30 -0.13 0.98 0.00 0.00 173.24 170.17 1n18 s ARG 143 N -4.91 2.57 0.12 4.02 0.52 -1.26 -0.83 118.95 119.18 1n18 s ARG 143 Ca 0.68 -1.57 -0.13 0.00 -0.52 0.00 0.00 55.73 54.19 1n18 s ARG 143 Cb -0.18 -3.85 -0.05 0.00 0.52 0.00 0.00 34.95 31.40 1n18 s ARG 143 CO 0.60 -1.05 1.49 -0.07 0.02 0.00 0.00 175.30 176.29 1n18 h LEU 144 N 8.43 0.82 -7.24 2.53 3.38 -1.68 -3.47 115.31 118.08 1n18 h LEU 144 Ca -0.22 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.27 1n18 h LEU 144 Cb 1.08 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.45 1n18 h LEU 144 CO 0.80 1.06 0.02 0.00 0.09 0.00 0.00 178.44 180.41 1n18 s ALA 145 N -4.57 -1.22 0.24 1.53 0.00 -1.21 -4.13 121.76 112.40 1n18 s ALA 145 Ca -0.12 0.37 -0.19 0.00 0.00 0.00 0.00 51.96 52.03 1n18 s ALA 145 Cb 0.10 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.77 1n18 s ALA 145 CO 0.84 -0.57 0.61 0.00 0.00 0.00 0.00 175.76 176.63 1n18 s GLY 147 N -2.92 -0.43 0.20 0.00 0.00 -0.70 -2.02 107.32 101.45 1n18 s GLY 147 Ca 0.12 1.81 -0.30 0.00 0.00 0.00 0.00 44.72 46.35 1n18 s GLY 147 CO 0.04 1.21 1.04 0.14 0.00 0.00 0.00 173.10 175.53 1n18 s VAL 148 N -0.74 3.97 -0.58 1.40 1.01 -1.26 -0.85 120.40 123.34 1n18 s VAL 148 Ca -0.05 1.79 -0.28 0.00 0.00 0.00 0.00 61.98 63.45 1n18 s VAL 148 Cb -0.02 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.25 1n18 s VAL 148 CO 0.04 0.35 1.16 -0.63 0.00 0.00 0.00 175.10 176.03 1n18 s ILE 149 N -0.58 4.05 0.16 2.22 1.01 0.29 -4.48 121.20 123.87 1n18 s ILE 149 Ca 0.46 0.80 0.02 0.00 0.00 0.00 0.00 60.65 61.94 1n18 s ILE 149 Cb -0.28 -4.71 -0.04 0.00 0.01 0.00 0.00 42.46 37.44 1n18 s ILE 149 CO 0.34 -1.34 0.30 -0.83 0.00 0.00 0.00 174.94 173.41 1n18 s GLY 150 N 2.98 1.69 0.19 6.18 0.00 0.28 -0.57 107.32 118.06 1n18 s GLY 150 Ca 0.41 -1.02 -0.31 0.00 0.00 0.00 0.00 44.72 43.80 1n18 s GLY 150 CO 0.24 -1.02 1.43 -0.42 0.00 0.00 0.00 173.10 173.33 1n18 s ILE 151 N -1.77 2.93 0.24 0.90 1.01 -1.26 -0.82 121.20 122.42 1n18 s ILE 151 Ca 0.35 0.72 0.10 0.00 0.00 0.00 0.00 60.65 61.82 1n18 s ILE 151 Cb -0.11 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1n18 s ILE 151 CO 0.29 0.09 -0.07 0.00 0.00 0.00 0.00 174.94 175.25 1n18 s ALA 152 N 0.53 3.02 -2.00 9.38 0.00 -0.09 -4.80 121.76 127.80 1n18 s ALA 152 Ca 0.62 -1.63 0.12 0.00 0.00 0.00 0.00 51.96 51.07 1n18 s ALA 152 Cb -0.40 -0.68 0.74 0.00 0.00 0.00 0.00 23.12 22.78 1n18 s ALA 152 CO 0.36 0.33 1.17 0.94 0.00 0.00 0.00 175.76 178.56