#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 -4.01 0.00 -2.24 -1.26 -4.62 114.28 102.14 1n18 n THR 2 Ca 0.00 -0.23 -0.11 0.00 -2.27 0.00 0.00 64.05 61.44 1n18 n THR 2 Cb 0.00 0.68 -0.12 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.59 0.36 0.22 -0.78 1.02 -1.26 -0.15 119.74 116.56 1n18 s LYS 3 Ca 0.01 -0.55 -0.11 0.00 0.02 0.00 0.00 55.97 55.35 1n18 s LYS 3 Cb 0.10 -0.09 -0.01 0.00 -0.52 0.00 0.00 37.83 37.31 1n18 s LYS 3 CO 0.59 0.01 0.40 0.00 -0.92 0.00 0.00 175.35 175.42 1n18 s ALA 4 N -1.13 -0.05 -0.00 5.17 0.00 -0.24 -1.23 121.76 124.29 1n18 s ALA 4 Ca -0.10 -0.95 -0.20 0.00 0.00 0.00 0.00 51.96 50.70 1n18 s ALA 4 Cb -0.08 1.06 0.04 0.00 0.00 0.00 0.00 23.12 24.15 1n18 s ALA 4 CO -0.00 -0.78 0.45 0.54 0.00 0.00 0.00 175.76 175.97 1n18 s VAL 5 N -4.02 0.04 -0.02 0.00 0.11 -0.19 -0.61 120.40 115.71 1n18 s VAL 5 Ca 0.23 -0.33 -0.00 0.00 -2.93 0.00 0.00 61.98 58.95 1n18 s VAL 5 Cb 0.01 -0.84 0.03 0.00 -1.53 0.00 0.00 36.38 34.05 1n18 s VAL 5 CO 0.07 -0.18 0.03 0.00 -3.33 0.00 0.00 175.10 171.69 1n18 s ALA 6 N -1.72 0.09 -0.37 1.54 0.00 -0.23 -0.81 121.76 120.27 1n18 s ALA 6 Ca -0.10 0.30 -0.13 0.00 0.00 0.00 0.00 51.96 52.03 1n18 s ALA 6 Cb -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1n18 s ALA 6 CO 0.03 -0.12 0.25 0.08 0.00 0.00 0.00 175.76 176.00 1n18 s VAL 7 N 1.12 5.15 -0.11 0.00 1.01 -1.26 -1.19 120.40 125.13 1n18 s VAL 7 Ca -0.08 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.18 1n18 s VAL 7 Cb -0.13 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1n18 s VAL 7 CO -0.03 -0.14 0.82 -0.76 0.00 0.00 0.00 175.10 174.99 1n18 s LEU 8 N 1.68 4.25 0.03 3.92 1.43 0.10 -4.05 118.68 126.05 1n18 s LEU 8 Ca 0.05 1.27 -0.04 0.00 -1.03 0.00 0.00 54.13 54.37 1n18 s LEU 8 Cb -0.18 -3.25 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 1n18 s LEU 8 CO 0.10 -0.28 0.07 -0.54 0.23 0.00 0.00 176.35 175.92 1n18 s LYS 9 N 1.52 0.51 0.03 1.70 1.02 -0.62 -1.97 119.74 121.93 1n18 s LYS 9 Ca 0.40 -0.68 -0.01 0.00 0.02 0.00 0.00 55.97 55.71 1n18 s LYS 9 Cb -0.18 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 1n18 s LYS 9 CO 0.17 -0.12 0.05 0.41 -0.92 0.00 0.00 175.35 174.95 1n18 n GLY 10 N 1.05 2.59 0.04 -3.33 0.00 -1.23 -1.53 105.19 102.77 1n18 n GLY 10 Ca -0.21 -1.25 0.13 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.67 0.51 0.00 1.61 8.00 -1.26 -4.89 116.55 118.84 1n18 n ASP 11 Ca -0.00 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1n18 n ASP 11 Cb 0.05 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 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 2.28 0.30 0.44 0.00 -1.26 -5.01 105.19 103.35 1n18 n GLY 12 Ca 0.05 -1.91 0.14 0.00 0.00 0.00 0.00 46.02 44.30 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 1.27 -2.68 1.61 -0.04 -1.26 -4.89 135.00 129.02 1n18 n PRO 13 Ca 0.00 -0.60 -0.42 0.00 -0.04 0.00 0.00 63.50 62.44 1n18 n PRO 13 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 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 -2.14 4.76 0.03 0.52 1.01 -1.26 -4.22 120.40 119.10 1n18 s VAL 14 Ca 0.37 2.02 -0.27 0.00 0.00 0.00 0.00 61.98 64.09 1n18 s VAL 14 Cb 0.21 -4.30 0.09 0.00 0.00 0.00 0.00 36.38 32.38 1n18 s VAL 14 CO 0.39 0.03 0.74 0.00 0.00 0.00 0.00 175.10 176.26 1n18 s GLN 15 N 1.85 1.03 0.00 2.72 -2.07 -1.11 -3.58 119.66 118.51 1n18 s GLN 15 Ca 0.49 -0.19 0.00 0.00 -1.82 0.00 0.00 55.36 53.85 1n18 s GLN 15 Cb -0.19 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.21 1n18 s GLN 15 CO 0.20 -0.41 0.00 0.41 -1.32 0.00 0.00 175.29 174.17 1n18 n GLY 16 N 0.08 -0.99 2.98 2.60 0.00 -0.83 -1.19 105.19 107.84 1n18 n GLY 16 Ca -0.14 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.54 1n18 n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n18 s ILE 17 N -2.00 1.10 -0.13 -0.61 1.01 -0.95 0.02 121.20 119.64 1n18 s ILE 17 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1n18 s ILE 17 Cb 0.00 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.43 1n18 s ILE 17 CO 0.00 0.36 -0.20 -0.63 0.00 0.00 0.00 174.94 174.47 1n18 s ILE 18 N 1.01 2.27 0.09 2.92 -1.09 -0.33 -2.37 121.20 123.70 1n18 s ILE 18 Ca -0.08 -0.92 0.02 0.00 -2.23 0.00 0.00 60.65 57.44 1n18 s ILE 18 Cb -0.15 -1.91 -0.04 0.00 -1.58 0.00 0.00 42.46 38.78 1n18 s ILE 18 CO -0.00 0.54 0.18 0.20 -1.23 0.00 0.00 174.94 174.62 1n18 s ASN 19 N 0.67 6.04 -0.02 3.58 0.01 0.10 -1.06 114.94 124.26 1n18 s ASN 19 Ca -0.10 0.14 0.04 0.00 -0.71 0.00 0.00 52.86 52.23 1n18 s ASN 19 Cb -0.16 -1.77 -0.01 0.00 0.41 0.00 0.00 41.25 39.72 1n18 s ASN 19 CO 0.02 0.14 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.26 1n18 s PHE 20 N -1.53 1.19 -0.09 2.20 0.08 0.22 -1.88 117.98 118.17 1n18 s PHE 20 Ca 0.33 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 57.09 1n18 s PHE 20 Cb -0.12 -0.78 0.04 0.00 -0.57 0.00 0.00 43.02 41.59 1n18 s PHE 20 CO 0.26 -0.05 0.20 -2.00 -0.10 0.00 0.00 175.22 173.53 1n18 s GLU 21 N -0.20 0.15 -0.27 0.44 2.12 -0.46 -1.08 118.70 119.40 1n18 s GLU 21 Ca 0.03 0.47 -0.01 0.00 0.36 0.00 0.00 54.97 55.82 1n18 s GLU 21 Cb -0.06 -0.15 0.08 0.00 0.26 0.00 0.00 34.13 34.26 1n18 s GLU 21 CO -0.00 -0.18 0.06 -1.14 -0.54 0.00 0.00 175.26 173.47 1n18 s GLN 22 N 1.31 0.78 0.22 4.30 0.74 0.79 -0.72 119.66 127.08 1n18 s GLN 22 Ca -0.08 -0.85 -0.08 0.00 0.05 0.00 0.00 55.36 54.39 1n18 s GLN 22 Cb -0.11 -2.07 0.17 0.00 1.10 0.00 0.00 33.01 32.10 1n18 s GLN 22 CO -0.07 -0.84 1.83 0.87 -0.55 0.00 0.00 175.29 176.52 1n18 h LYS 23 N 8.13 1.15 -6.14 1.67 1.57 -1.81 -3.41 116.57 117.74 1n18 h LYS 23 Ca -0.15 -0.14 -0.57 0.00 -1.87 0.00 0.00 60.65 57.91 1n18 h LYS 23 Cb 1.05 -0.22 -0.24 0.00 0.08 0.00 0.00 32.23 32.90 1n18 h LYS 23 CO 0.42 0.86 -0.83 -1.21 -0.57 0.00 0.00 179.45 178.12 1n18 s GLU 24 N -5.80 1.27 0.52 3.15 0.41 -1.26 -5.02 118.70 111.96 1n18 s GLU 24 Ca -0.13 -1.05 0.24 0.00 -0.41 0.00 0.00 54.97 53.63 1n18 s GLU 24 Cb 0.16 -1.46 1.36 0.00 -1.78 0.00 0.00 34.13 32.41 1n18 s GLU 24 CO 0.82 0.36 1.99 0.77 -0.49 0.00 0.00 175.26 178.71 1n18 h SER 25 N 4.49 0.04 -0.01 -0.19 0.02 -1.96 -0.04 113.55 115.89 1n18 h SER 25 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1n18 h SER 25 Cb 1.17 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1n18 h SER 25 CO 0.42 0.02 -0.63 -0.46 -1.14 0.00 0.00 176.83 175.04 1n18 n ASN 26 N -4.39 1.66 -4.86 3.07 6.94 -1.26 -4.93 115.26 111.49 1n18 n ASN 26 Ca 0.10 -1.33 -0.28 0.00 -0.02 0.00 0.00 54.58 53.05 1n18 n ASN 26 Cb 0.59 0.65 0.09 0.00 -2.36 0.00 0.00 39.78 38.75 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 -2.59 1.63 0.78 4.83 0.00 -0.03 -5.06 107.32 106.89 1n18 s GLY 27 Ca 0.15 -0.78 -0.11 0.00 0.00 0.00 0.00 44.72 43.98 1n18 s GLY 27 CO 0.65 -0.30 1.09 2.56 0.00 0.00 0.00 173.10 177.10 1n18 s PRO 28 N -5.49 2.17 -0.14 2.90 0.04 -1.26 -4.84 135.00 128.38 1n18 s PRO 28 Ca 0.62 0.99 -0.04 0.00 0.04 0.00 0.00 61.00 62.62 1n18 s PRO 28 Cb -0.10 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1n18 s PRO 28 CO 0.48 -1.65 -0.01 0.08 0.04 0.00 0.00 177.00 175.94 1n18 s VAL 29 N -2.97 4.20 -0.12 -0.36 1.01 0.18 -4.50 120.40 117.84 1n18 s VAL 29 Ca 0.61 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 62.20 1n18 s VAL 29 Cb -0.16 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1n18 s VAL 29 CO 0.56 0.52 0.31 -0.54 0.00 0.00 0.00 175.10 175.94 1n18 s LYS 30 N 0.02 4.11 -0.11 2.72 1.02 0.10 -0.91 119.74 126.68 1n18 s LYS 30 Ca 0.02 0.15 0.03 0.00 0.02 0.00 0.00 55.97 56.18 1n18 s LYS 30 Cb -0.13 -3.36 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 1n18 s LYS 30 CO 0.02 0.38 -0.20 0.08 -0.92 0.00 0.00 175.35 174.71 1n18 s VAL 31 N 0.03 1.81 0.06 3.17 1.01 0.12 -1.36 120.40 125.23 1n18 s VAL 31 Ca 0.18 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 61.09 1n18 s VAL 31 Cb -0.14 -1.61 0.06 0.00 0.00 0.00 0.00 36.38 34.69 1n18 s VAL 31 CO 0.06 0.50 0.55 -1.66 0.00 0.00 0.00 175.10 174.55 1n18 s TRP 32 N 0.74 -0.46 -4.80 5.22 -2.14 -0.79 -0.52 118.94 116.19 1n18 s TRP 32 Ca -0.10 0.50 0.00 0.00 2.66 0.00 0.00 56.10 59.15 1n18 s TRP 32 Cb -0.16 0.38 0.00 0.00 -3.10 0.00 0.00 33.47 30.59 1n18 s TRP 32 CO 0.01 -0.68 0.00 0.41 -2.66 0.00 0.00 176.95 174.04 1n18 n GLY 33 N 0.31 -0.57 2.90 3.67 0.00 -1.02 0.01 105.19 110.49 1n18 n GLY 33 Ca -0.18 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.05 -0.05 1.61 0.15 -1.00 -1.27 113.70 109.09 1n18 s SER 34 Ca 0.00 0.14 0.04 0.00 0.70 0.00 0.00 55.95 56.84 1n18 s SER 34 Cb 0.00 0.10 -0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1n18 s SER 34 CO 0.00 -0.06 -0.18 -0.63 1.20 0.00 0.00 173.24 173.57 1n18 s ILE 35 N 0.43 1.49 0.42 6.45 1.01 -0.44 -2.24 121.20 128.32 1n18 s ILE 35 Ca -0.03 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 59.94 1n18 s ILE 35 Cb -0.05 -1.29 -0.07 0.00 0.01 0.00 0.00 42.46 41.06 1n18 s ILE 35 CO -0.02 0.43 0.02 -1.59 0.00 0.00 0.00 174.94 173.78 1n18 s LYS 36 N 0.10 1.99 0.00 2.79 -2.85 -0.34 0.09 119.74 121.53 1n18 s LYS 36 Ca -0.06 -2.11 0.00 0.00 -1.00 0.00 0.00 55.97 52.80 1n18 s LYS 36 Cb -0.13 -1.65 0.00 0.00 -2.06 0.00 0.00 37.83 33.99 1n18 s LYS 36 CO 0.03 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.81 1n18 n GLY 37 N -1.01 0.43 3.86 0.59 0.00 -0.81 -2.73 105.19 105.52 1n18 n GLY 37 Ca -0.06 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 4.26 0.52 0.99 1.43 -0.57 -4.30 118.68 121.01 1n18 s LEU 38 Ca 0.00 0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 53.24 1n18 s LEU 38 Cb 0.00 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 1n18 s LEU 38 CO 0.00 0.33 1.28 0.42 0.23 0.00 0.00 176.35 178.61 1n18 s THR 39 N -1.16 2.45 0.31 5.49 -4.23 -1.26 -4.01 115.64 113.23 1n18 s THR 39 Ca 0.21 0.34 -0.29 0.00 -1.18 0.00 0.00 61.69 60.76 1n18 s THR 39 Cb -0.12 -3.17 -0.12 0.00 1.34 0.00 0.00 72.50 70.43 1n18 s THR 39 CO 0.11 -0.01 1.41 1.21 -0.54 0.00 0.00 174.62 176.80 1n18 n GLU 40 N -0.92 2.29 0.00 3.99 2.13 -1.26 -4.63 120.64 122.25 1n18 n GLU 40 Ca 0.10 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.73 1n18 n GLU 40 Cb 0.46 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.70 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 1.40 -0.08 3.79 8.31 0.00 -0.62 -4.94 105.19 113.05 1n18 n GLY 41 Ca 0.07 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.49 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 4.17 -0.07 0.99 1.43 -1.26 -1.57 118.68 122.36 1n18 s LEU 42 Ca 0.00 1.83 -0.03 0.00 -1.03 0.00 0.00 54.13 54.90 1n18 s LEU 42 Cb 0.00 -4.22 0.04 0.00 0.03 0.00 0.00 46.19 42.04 1n18 s LEU 42 CO 0.00 -0.25 0.16 -1.00 0.23 0.00 0.00 176.35 175.49 1n18 s HIS 43 N -1.81 -0.19 0.41 0.29 3.76 -0.76 -3.34 115.29 113.65 1n18 s HIS 43 Ca 0.56 0.54 -0.25 0.00 -0.15 0.00 0.00 55.06 55.76 1n18 s HIS 43 Cb -0.16 -0.10 -0.11 0.00 1.11 0.00 0.00 32.58 33.32 1n18 s HIS 43 CO 0.21 -0.19 1.08 0.41 -0.85 0.00 0.00 174.74 175.39 1n18 n GLY 44 N 4.42 -0.02 2.59 -2.22 0.00 0.02 -1.69 105.19 108.29 1n18 n GLY 44 Ca -0.22 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.23 0.21 0.09 1.61 5.36 0.26 -0.38 117.98 123.90 1n18 s PHE 45 Ca 0.62 -0.49 -0.02 0.00 -0.96 0.00 0.00 56.93 56.08 1n18 s PHE 45 Cb -0.56 -0.75 -0.03 0.00 -0.34 0.00 0.00 43.02 41.33 1n18 s PHE 45 CO 0.57 -0.63 0.04 -1.01 -1.46 0.00 0.00 175.22 172.74 1n18 s HIS 46 N 2.13 0.62 -0.28 10.12 3.76 -0.86 -2.73 115.29 128.05 1n18 s HIS 46 Ca 0.05 -1.08 -0.12 0.00 -0.15 0.00 0.00 55.06 53.77 1n18 s HIS 46 Cb -0.16 -0.38 -0.05 0.00 1.11 0.00 0.00 32.58 33.11 1n18 s HIS 46 CO -0.19 -0.47 0.22 0.08 -0.85 0.00 0.00 174.74 173.52 1n18 s VAL 47 N -3.97 5.29 0.21 -0.90 1.01 -0.42 -0.82 120.40 120.81 1n18 s VAL 47 Ca 0.14 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 1n18 s VAL 47 Cb 0.07 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 1n18 s VAL 47 CO -0.05 0.22 0.43 -1.00 0.00 0.00 0.00 175.10 174.71 1n18 s HIS 48 N 1.80 3.48 0.17 5.22 3.76 0.21 -0.87 115.29 129.06 1n18 s HIS 48 Ca 0.08 0.48 -0.21 0.00 -0.15 0.00 0.00 55.06 55.25 1n18 s HIS 48 Cb -0.16 -1.96 0.08 0.00 1.11 0.00 0.00 32.58 31.65 1n18 s HIS 48 CO 0.11 0.33 1.61 1.49 -0.85 0.00 0.00 174.74 177.43 1n18 h GLU 49 N 2.09 -0.20 -5.61 1.40 4.81 -0.86 -2.54 114.58 113.67 1n18 h GLU 49 Ca -0.47 0.01 -0.66 0.00 -0.13 0.00 0.00 59.36 58.11 1n18 h GLU 49 Cb 1.18 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.52 1n18 h GLU 49 CO 0.68 -0.13 -0.51 -0.06 -0.73 0.00 0.00 179.01 178.27 1n18 s PHE 50 N -6.05 3.49 -0.61 0.92 0.08 0.16 -4.61 117.98 111.36 1n18 s PHE 50 Ca -0.15 0.42 -0.04 0.00 0.12 0.00 0.00 56.93 57.29 1n18 s PHE 50 Cb 0.14 -1.96 0.11 0.00 -0.57 0.00 0.00 43.02 40.74 1n18 s PHE 50 CO 0.69 0.60 2.62 0.41 -0.10 0.00 0.00 175.22 179.44 1n18 n GLY 51 N 2.32 4.62 3.21 4.36 0.00 -1.15 -3.70 105.19 114.85 1n18 n GLY 51 Ca -0.19 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.47 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 0.16 5.16 -0.25 1.61 3.68 -1.26 -4.96 116.67 120.80 1n18 s ASP 52 Ca 0.57 -1.35 0.13 0.00 2.13 0.00 0.00 52.55 54.03 1n18 s ASP 52 Cb 0.36 -1.81 0.71 0.00 -1.45 0.00 0.00 42.92 40.74 1n18 s ASP 52 CO -0.23 -0.35 1.67 -3.20 0.13 0.00 0.00 175.17 173.19 1n18 n ASN 53 N 4.71 4.84 -0.17 -0.34 4.05 -1.26 -3.36 115.26 123.73 1n18 n ASN 53 Ca -0.11 -3.09 0.01 0.00 0.45 0.00 0.00 54.58 51.85 1n18 n ASN 53 Cb 0.43 -0.66 0.28 0.00 1.23 0.00 0.00 39.78 41.06 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 2.89 1.18 -2.07 -0.44 1.35 -1.92 -3.05 112.91 110.84 1n18 h THR 54 Ca 0.09 -0.33 -0.58 0.00 -0.55 0.00 0.00 66.41 65.04 1n18 h THR 54 Cb 1.93 0.19 -0.42 0.00 -1.73 0.00 0.00 68.15 68.13 1n18 h THR 54 CO 0.49 0.17 -0.71 0.00 -0.25 0.00 0.00 175.52 175.22 1n18 n ALA 55 N -2.43 4.55 -0.79 6.62 0.00 -1.26 -5.07 120.51 122.13 1n18 n ALA 55 Ca 0.07 -4.49 0.00 0.00 0.00 0.00 0.00 53.44 49.02 1n18 n ALA 55 Cb 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.26 1.41 0.09 0.00 0.00 -1.15 -2.87 105.19 102.40 1n18 n GLY 56 Ca 0.32 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 1.21 0.00 0.00 2.02 -1.87 -2.71 112.91 111.56 1n18 h THR 58 Ca 0.00 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1n18 h THR 58 Cb 0.71 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1n18 h THR 58 CO 0.00 0.30 0.00 -1.54 0.37 0.00 0.00 175.52 174.65 1n18 n SER 59 N -4.23 0.00 0.00 4.18 3.41 -1.22 -3.38 113.62 112.38 1n18 n SER 59 Ca 0.00 -1.30 0.12 0.00 -0.26 0.00 0.00 58.87 57.43 1n18 n SER 59 Cb 0.30 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 64.78 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 -0.84 2.12 -0.24 7.33 0.00 -1.02 -4.41 120.51 123.45 1n18 n ALA 60 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1n18 n ALA 60 Cb 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 0.95 -1.27 2.38 0.00 0.00 -1.22 -0.66 105.19 105.37 1n18 n GLY 61 Ca 0.07 -1.25 -0.18 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.18 -0.80 -2.07 1.61 -0.04 -1.26 -4.68 135.00 127.58 1n18 n PRO 62 Ca 0.00 -1.27 -0.39 0.00 -0.04 0.00 0.00 63.50 61.80 1n18 n PRO 62 Cb 0.00 -0.84 -0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 -2.79 2.82 -0.07 0.54 3.76 -1.26 -0.62 115.29 117.67 1n18 s HIS 63 Ca 0.46 1.42 -0.31 0.00 -0.15 0.00 0.00 55.06 56.49 1n18 s HIS 63 Cb -0.01 -3.64 -0.09 0.00 1.11 0.00 0.00 32.58 29.95 1n18 s HIS 63 CO 0.33 -2.04 2.03 0.34 -0.85 0.00 0.00 174.74 174.55 1n18 n PHE 64 N 0.05 2.29 -3.12 1.40 -0.00 -0.05 -4.38 117.46 113.65 1n18 n PHE 64 Ca 0.04 -0.21 -0.20 0.00 -0.00 0.00 0.00 57.45 57.08 1n18 n PHE 64 Cb 0.44 -2.75 -0.04 0.00 -0.00 0.00 0.00 39.48 37.14 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 8.57 -0.03 0.26 -2.13 5.15 -1.26 -1.53 115.26 124.29 1n18 n ASN 65 Ca 0.24 -2.92 0.11 0.00 -0.60 0.00 0.00 54.58 51.41 1n18 n ASN 65 Cb 0.39 -0.25 0.69 0.00 -0.53 0.00 0.00 39.78 40.07 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 3.59 0.00 -0.22 1.20 0.13 -1.94 -2.38 132.00 132.39 1n18 h PRO 66 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1n18 h PRO 66 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1n18 h PRO 66 CO 0.44 0.12 0.00 1.28 -0.23 0.00 0.00 178.00 179.61 1n18 n LEU 67 N -3.87 1.76 -3.88 1.56 4.77 -1.26 -4.95 117.00 111.13 1n18 n LEU 67 Ca -0.02 -0.77 -0.27 0.00 -0.03 0.00 0.00 56.01 54.91 1n18 n LEU 67 Cb 0.22 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1n18 n LEU 67 CO 0.31 0.39 -0.19 -1.20 -1.33 0.00 0.00 177.39 175.38 1n18 n SER 68 N 0.40 -1.56 -4.92 -1.43 7.64 -0.90 -5.00 113.62 107.86 1n18 n SER 68 Ca 0.15 -1.00 -0.25 0.00 1.01 0.00 0.00 58.87 58.78 1n18 n SER 68 Cb 0.33 -3.16 0.00 0.00 -1.01 0.00 0.00 64.21 60.37 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 -6.41 2.28 0.60 1.43 0.52 -1.26 -5.13 118.95 110.99 1n18 s ARG 69 Ca 0.12 -1.93 -0.07 0.00 -0.52 0.00 0.00 55.73 53.33 1n18 s ARG 69 Cb -0.05 -2.20 0.00 0.00 0.52 0.00 0.00 34.95 33.23 1n18 s ARG 69 CO 0.88 -0.61 0.94 0.15 0.02 0.00 0.00 175.30 176.68 1n18 s LYS 70 N -4.32 3.04 0.43 3.54 -0.14 -1.26 -4.74 119.74 116.29 1n18 s LYS 70 Ca 0.39 0.18 -0.24 0.00 -1.36 0.00 0.00 55.97 54.94 1n18 s LYS 70 Cb -0.03 -2.22 -0.08 0.00 -1.68 0.00 0.00 37.83 33.83 1n18 s LYS 70 CO 0.24 -0.70 1.18 -1.58 -0.76 0.00 0.00 175.35 173.73 1n18 s HIS 71 N -3.05 2.96 0.06 3.18 5.65 0.29 -3.34 115.29 121.04 1n18 s HIS 71 Ca 0.54 1.54 -0.02 0.00 0.25 0.00 0.00 55.06 57.37 1n18 s HIS 71 Cb -0.11 -3.40 0.01 0.00 -1.18 0.00 0.00 32.58 27.90 1n18 s HIS 71 CO 0.47 -1.45 0.12 0.41 -0.65 0.00 0.00 174.74 173.64 1n18 n GLY 72 N 0.55 1.96 3.93 1.59 0.00 -1.26 -4.40 105.19 107.56 1n18 n GLY 72 Ca 0.06 -1.09 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.34 1.47 0.57 -0.02 0.00 -1.18 -4.67 107.32 102.15 1n18 s GLY 73 Ca 0.03 -0.75 0.27 0.00 0.00 0.00 0.00 44.72 44.27 1n18 s GLY 73 CO 0.02 -0.60 2.04 -0.56 0.00 0.00 0.00 173.10 174.01 1n18 h PRO 74 N 0.38 0.00 0.00 2.90 0.13 -1.86 -1.25 132.00 132.29 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 1.22 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 -0.14 1.63 -0.23 0.00 0.00 178.00 179.87 1n18 n LYS 75 N -3.99 0.25 -2.61 0.86 5.02 -1.26 -4.87 118.16 111.55 1n18 n LYS 75 Ca 0.04 0.17 -0.36 0.00 -2.02 0.00 0.00 58.31 56.14 1n18 n LYS 75 Cb 0.43 -1.76 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 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 -4.36 6.89 0.09 4.39 -0.00 -0.48 -4.96 116.67 118.25 1n18 s ASP 76 Ca 0.10 1.97 -0.13 0.00 -0.00 0.00 0.00 52.55 54.49 1n18 s ASP 76 Cb 0.13 -2.58 -0.20 0.00 -0.00 0.00 0.00 42.92 40.27 1n18 s ASP 76 CO 0.62 -0.39 1.23 -0.08 -0.00 0.00 0.00 175.17 176.55 1n18 h GLU 77 N 2.60 0.71 -5.90 8.23 4.81 -1.89 -3.38 114.58 119.74 1n18 h GLU 77 Ca -0.48 -0.71 -0.59 0.00 -0.13 0.00 0.00 59.36 57.45 1n18 h GLU 77 Cb 1.21 0.19 -0.11 0.00 0.63 0.00 0.00 28.75 30.66 1n18 h GLU 77 CO 0.63 1.29 0.91 -2.00 -0.73 0.00 0.00 179.01 179.11 1n18 s GLU 78 N -3.43 3.24 0.23 1.92 2.56 -1.26 -4.93 118.70 117.02 1n18 s GLU 78 Ca -0.10 -0.66 -0.22 0.00 0.00 0.00 0.00 54.97 53.99 1n18 s GLU 78 Cb 0.07 -4.39 0.04 0.00 2.00 0.00 0.00 34.13 31.86 1n18 s GLU 78 CO 0.91 -2.01 0.71 -0.98 -0.56 0.00 0.00 175.26 173.34 1n18 s ARG 79 N 4.83 1.58 0.35 4.30 1.04 -1.21 -3.99 118.95 125.84 1n18 s ARG 79 Ca 0.31 -0.80 -0.22 0.00 -1.04 0.00 0.00 55.73 53.98 1n18 s ARG 79 Cb -0.10 0.58 -0.10 0.00 -2.04 0.00 0.00 34.95 33.29 1n18 s ARG 79 CO 0.09 -0.71 0.89 -1.01 -0.04 0.00 0.00 175.30 174.51 1n18 s HIS 80 N -3.80 3.50 0.40 5.89 3.76 -1.22 -4.68 115.29 119.15 1n18 s HIS 80 Ca 0.08 1.60 0.11 0.00 -0.15 0.00 0.00 55.06 56.70 1n18 s HIS 80 Cb -0.04 -2.81 0.92 0.00 1.11 0.00 0.00 32.58 31.76 1n18 s HIS 80 CO 0.01 0.09 1.95 0.28 -0.85 0.00 0.00 174.74 176.21 1n18 h VAL 81 N 2.28 0.90 -0.00 -0.90 2.07 -1.83 -1.51 116.25 117.27 1n18 h VAL 81 Ca -0.48 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1n18 h VAL 81 Cb 1.19 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1n18 h VAL 81 CO 0.64 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.94 1n18 n GLY 82 N -1.49 -0.91 3.55 2.17 0.00 -0.58 -4.31 105.19 103.62 1n18 n GLY 82 Ca 0.12 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.93 5.76 0.00 1.61 1.01 -0.57 -1.31 116.67 121.24 1n18 s ASP 83 Ca 0.44 -0.43 0.23 0.00 0.71 0.00 0.00 52.55 53.50 1n18 s ASP 83 Cb 0.21 -2.55 0.57 0.00 1.01 0.00 0.00 42.92 42.15 1n18 s ASP 83 CO 0.34 -2.11 1.49 0.18 0.21 0.00 0.00 175.17 175.28 1n18 n LEU 84 N 11.18 3.69 0.00 1.23 4.77 -1.11 -3.63 117.00 133.14 1n18 n LEU 84 Ca 0.21 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.43 1n18 n LEU 84 Cb 0.50 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1n18 n LEU 84 CO 0.68 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 178.23 1n18 n GLY 85 N 1.59 0.45 3.41 -0.72 0.00 -1.21 -4.77 105.19 103.95 1n18 n GLY 85 Ca 0.22 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 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 3.15 0.18 1.61 0.01 -1.26 -0.57 114.94 114.06 1n18 s ASN 86 Ca 0.00 -1.02 0.11 0.00 -0.71 0.00 0.00 52.86 51.24 1n18 s ASN 86 Cb 0.00 -0.23 -0.04 0.00 0.41 0.00 0.00 41.25 41.39 1n18 s ASN 86 CO 0.00 -0.04 -0.23 0.68 -1.51 0.00 0.00 177.10 175.99 1n18 s VAL 87 N -2.65 2.25 -0.15 1.60 -7.23 -0.68 -4.89 120.40 108.64 1n18 s VAL 87 Ca 0.26 -1.98 -0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1n18 s VAL 87 Cb -0.03 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.84 1n18 s VAL 87 CO 0.11 -0.13 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.74 1n18 s THR 88 N -1.67 2.81 -0.10 5.32 2.01 -1.26 -1.83 115.64 120.92 1n18 s THR 88 Ca 0.19 -0.72 -0.11 0.00 0.31 0.00 0.00 61.69 61.36 1n18 s THR 88 Cb -0.08 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 1n18 s THR 88 CO 0.09 0.51 0.24 0.00 -0.69 0.00 0.00 174.62 174.77 1n18 s ALA 89 N 0.77 3.77 0.93 7.40 0.00 -0.61 -4.12 121.76 129.89 1n18 s ALA 89 Ca -0.05 -0.49 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 1n18 s ALA 89 Cb -0.15 -2.18 0.12 0.00 0.00 0.00 0.00 23.12 20.91 1n18 s ALA 89 CO 0.01 0.46 0.71 -0.40 0.00 0.00 0.00 175.76 176.54 1n18 n ASP 90 N 2.30 0.18 0.34 0.00 3.85 0.00 -1.59 116.55 121.63 1n18 n ASP 90 Ca -0.17 -1.33 0.22 0.00 -0.71 0.00 0.00 54.79 52.80 1n18 n ASP 90 Cb 0.53 -0.53 1.19 0.00 -1.35 0.00 0.00 41.12 40.96 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 -0.01 0.11 2.10 -1.96 0.18 116.57 116.99 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 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 1n18 h LYS 91 CO 0.17 0.00 -0.16 -0.25 -2.00 0.00 0.00 179.45 177.22 1n18 n ASP 92 N -3.13 1.22 0.00 7.07 10.43 -1.26 -4.91 116.55 125.97 1n18 n ASP 92 Ca -0.03 -1.13 0.00 0.00 2.57 0.00 0.00 54.79 56.20 1n18 n ASP 92 Cb 0.09 0.08 0.00 0.00 1.84 0.00 0.00 41.12 43.13 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 1.28 0.55 3.51 0.44 0.00 0.62 -4.71 105.19 106.87 1n18 n GLY 93 Ca 0.15 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 4.00 -0.31 1.61 1.01 -1.26 -1.52 120.40 121.94 1n18 s VAL 94 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 1n18 s VAL 94 Cb 0.00 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.64 1n18 s VAL 94 CO 0.00 0.48 0.08 0.00 0.00 0.00 0.00 175.10 175.66 1n18 s ALA 95 N 0.41 3.04 -0.84 5.51 0.00 0.11 -0.82 121.76 129.18 1n18 s ALA 95 Ca -0.03 -1.55 -0.17 0.00 0.00 0.00 0.00 51.96 50.21 1n18 s ALA 95 Cb -0.14 -2.16 0.15 0.00 0.00 0.00 0.00 23.12 20.97 1n18 s ALA 95 CO 0.03 -1.05 0.95 -0.51 0.00 0.00 0.00 175.76 175.17 1n18 s ASP 96 N 1.46 6.58 0.19 0.00 -0.00 -1.26 -1.32 116.67 122.32 1n18 s ASP 96 Ca 0.01 -2.10 -0.30 0.00 -0.00 0.00 0.00 52.55 50.15 1n18 s ASP 96 Cb -0.18 -2.33 -0.09 0.00 -0.00 0.00 0.00 42.92 40.32 1n18 s ASP 96 CO 0.02 -0.94 1.40 -0.69 -0.00 0.00 0.00 175.17 174.96 1n18 s VAL 97 N 1.98 2.97 -0.28 -1.27 1.01 -0.40 -4.92 120.40 119.49 1n18 s VAL 97 Ca 0.25 0.77 0.01 0.00 0.00 0.00 0.00 61.98 63.01 1n18 s VAL 97 Cb -0.10 -3.49 0.16 0.00 0.00 0.00 0.00 36.38 32.95 1n18 s VAL 97 CO -0.06 0.10 0.41 -0.55 0.00 0.00 0.00 175.10 174.99 1n18 s SER 98 N 0.60 0.38 0.06 3.32 0.15 -1.25 -2.43 113.70 114.52 1n18 s SER 98 Ca 0.61 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.98 1n18 s SER 98 Cb -0.39 1.11 -0.03 0.00 -1.71 0.00 0.00 66.02 65.00 1n18 s SER 98 CO 0.37 -0.35 -0.10 -0.63 1.20 0.00 0.00 173.24 173.74 1n18 s ILE 99 N 2.54 0.75 -0.06 6.45 1.01 0.32 -5.00 121.20 127.20 1n18 s ILE 99 Ca 0.10 -1.29 0.01 0.00 0.00 0.00 0.00 60.65 59.47 1n18 s ILE 99 Cb -0.13 -0.92 0.02 0.00 0.01 0.00 0.00 42.46 41.45 1n18 s ILE 99 CO -0.29 -0.41 -0.06 -0.70 0.00 0.00 0.00 174.94 173.49 1n18 s GLU 100 N -1.99 1.06 -0.01 2.79 2.12 -1.26 0.11 118.70 121.53 1n18 s GLU 100 Ca -0.04 -0.15 0.01 0.00 0.36 0.00 0.00 54.97 55.16 1n18 s GLU 100 Cb -0.08 -1.09 0.00 0.00 0.26 0.00 0.00 34.13 33.22 1n18 s GLU 100 CO 0.00 -0.13 -0.04 0.34 -0.54 0.00 0.00 175.26 174.89 1n18 s ASP 101 N 1.20 0.55 0.00 -1.70 -1.08 -0.09 -4.94 116.67 110.60 1n18 s ASP 101 Ca -0.06 -0.08 0.18 0.00 -0.52 0.00 0.00 52.55 52.07 1n18 s ASP 101 Cb -0.14 -0.10 0.32 0.00 -1.46 0.00 0.00 42.92 41.54 1n18 s ASP 101 CO -0.02 0.03 1.24 -1.20 0.52 0.00 0.00 175.17 175.75 1n18 n SER 102 N 3.14 3.01 -0.11 -0.34 7.64 -1.26 0.48 113.62 126.18 1n18 n SER 102 Ca -0.15 -1.88 -0.23 0.00 1.01 0.00 0.00 58.87 57.62 1n18 n SER 102 Cb 0.57 -0.18 -0.11 0.00 -1.01 0.00 0.00 64.21 63.47 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 1.10 1.55 -1.40 0.44 0.31 -1.26 -4.88 118.33 114.19 1n18 n VAL 103 Ca 0.15 -0.45 -0.31 0.00 -0.01 0.00 0.00 64.34 63.72 1n18 n VAL 103 Cb 0.50 -1.70 0.08 0.00 -0.91 0.00 0.00 33.84 31.81 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 -2.50 3.42 0.16 2.52 -4.36 -1.26 -4.93 121.20 114.24 1n18 s ILE 104 Ca -0.34 0.46 -0.10 0.00 -0.26 0.00 0.00 60.65 60.41 1n18 s ILE 104 Cb 0.10 -3.07 -0.00 0.00 1.25 0.00 0.00 42.46 40.74 1n18 s ILE 104 CO 0.58 -0.60 0.30 -0.55 0.24 0.00 0.00 174.94 174.91 1n18 s SER 105 N -3.60 0.01 -0.02 4.36 0.15 -1.07 -4.62 113.70 108.90 1n18 s SER 105 Ca 0.60 -0.77 0.18 0.00 0.70 0.00 0.00 55.95 56.66 1n18 s SER 105 Cb -0.16 0.44 0.56 0.00 -1.71 0.00 0.00 66.02 65.15 1n18 s SER 105 CO 0.56 -0.89 1.47 0.18 1.20 0.00 0.00 173.24 175.76 1n18 n LEU 106 N -0.21 3.78 -3.50 3.45 4.77 -1.26 -1.13 117.00 122.90 1n18 n LEU 106 Ca -0.09 -2.10 -0.11 0.00 -0.03 0.00 0.00 56.01 53.68 1n18 n LEU 106 Cb 0.63 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1n18 n LEU 106 CO 0.23 0.88 0.38 -0.94 -1.33 0.00 0.00 177.39 176.60 1n18 s SER 107 N -1.02 -0.49 0.00 -1.43 1.04 -1.26 -3.00 113.70 107.54 1n18 s SER 107 Ca 0.42 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1n18 s SER 107 Cb 0.23 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.95 1n18 s SER 107 CO 0.26 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1n18 n GLY 108 N -0.37 -1.96 0.30 7.32 0.00 -1.26 -3.60 105.19 105.62 1n18 n GLY 108 Ca -0.15 -1.48 0.13 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.56 1.61 3.45 -2.01 -2.21 116.42 116.70 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 0.00 0.00 1.41 -1.57 0.00 0.00 179.24 179.08 1n18 n HIS 110 N -4.25 1.26 -1.93 4.55 8.25 -1.26 -4.99 115.22 116.85 1n18 n HIS 110 Ca -0.00 -0.63 -0.41 0.00 -0.26 0.00 0.00 57.72 56.42 1n18 n HIS 110 Cb 0.22 -0.21 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 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 -1.06 6.54 0.00 0.41 0.15 -0.83 -2.61 113.70 116.29 1n18 s SER 111 Ca 0.46 2.84 0.23 0.00 0.70 0.00 0.00 55.95 60.19 1n18 s SER 111 Cb 0.30 -2.65 0.34 0.00 -1.71 0.00 0.00 66.02 62.31 1n18 s SER 111 CO 0.22 -0.75 1.35 2.30 1.20 0.00 0.00 173.24 177.56 1n18 n ILE 112 N 1.35 0.33 -1.81 6.45 -5.35 -0.29 -4.90 119.36 115.15 1n18 n ILE 112 Ca 0.04 -0.67 -0.42 0.00 -0.27 0.00 0.00 62.75 61.43 1n18 n ILE 112 Cb 0.40 1.16 -0.03 0.00 -1.74 0.00 0.00 39.64 39.43 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 -1.65 2.24 0.00 7.28 -1.09 -1.26 -1.60 121.20 125.11 1n18 s ILE 113 Ca 0.35 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.95 1n18 s ILE 113 Cb 0.22 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 1n18 s ILE 113 CO 0.31 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 1n18 n GLY 114 N 3.47 0.69 1.40 6.18 0.00 0.62 -5.01 105.19 112.53 1n18 n GLY 114 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.57 1.13 -4.92 1.61 1.74 -0.62 -2.95 116.66 110.07 1n18 n ARG 115 Ca 0.00 -1.23 -0.33 0.00 -0.77 0.00 0.00 57.85 55.52 1n18 n ARG 115 Cb 0.00 0.09 -0.15 0.00 -1.02 0.00 0.00 32.46 31.38 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 -0.86 2.73 -0.12 0.55 2.01 -0.96 -0.27 115.64 118.71 1n18 s THR 116 Ca 0.13 -0.78 -0.20 0.00 0.31 0.00 0.00 61.69 61.16 1n18 s THR 116 Cb -0.01 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1n18 s THR 116 CO 0.08 0.54 0.56 -0.22 -0.69 0.00 0.00 174.62 174.89 1n18 s LEU 117 N 0.34 4.26 -0.03 4.42 2.96 -0.20 0.68 118.68 131.10 1n18 s LEU 117 Ca -0.14 0.90 0.04 0.00 -0.22 0.00 0.00 54.13 54.72 1n18 s LEU 117 Cb -0.17 -2.82 -0.00 0.00 0.50 0.00 0.00 46.19 43.69 1n18 s LEU 117 CO 0.07 -0.09 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.16 1n18 s VAL 118 N 0.95 1.34 -0.11 1.68 1.01 0.00 -1.58 120.40 123.69 1n18 s VAL 118 Ca 0.29 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1n18 s VAL 118 Cb -0.16 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1n18 s VAL 118 CO 0.12 0.39 -0.09 0.54 0.00 0.00 0.00 175.10 176.06 1n18 s VAL 119 N -0.05 3.44 0.35 2.92 0.11 -0.48 -2.04 120.40 124.66 1n18 s VAL 119 Ca -0.01 -0.54 0.05 0.00 -2.93 0.00 0.00 61.98 58.55 1n18 s VAL 119 Cb -0.10 -2.45 -0.01 0.00 -1.53 0.00 0.00 36.38 32.29 1n18 s VAL 119 CO 0.01 0.54 0.50 -1.00 -3.33 0.00 0.00 175.10 171.83 1n18 s HIS 120 N -0.02 3.18 0.11 1.54 3.76 0.48 -1.58 115.29 122.76 1n18 s HIS 120 Ca -0.01 -0.09 -0.16 0.00 -0.15 0.00 0.00 55.06 54.65 1n18 s HIS 120 Cb -0.14 -2.02 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 1n18 s HIS 120 CO 0.03 -0.04 1.55 1.49 -0.85 0.00 0.00 174.74 176.93 1n18 h GLU 121 N 0.81 0.64 -5.54 1.40 4.81 -0.82 -3.38 114.58 112.50 1n18 h GLU 121 Ca -0.47 -0.21 -0.64 0.00 -0.13 0.00 0.00 59.36 57.92 1n18 h GLU 121 Cb 1.25 -0.05 -0.12 0.00 0.63 0.00 0.00 28.75 30.46 1n18 h GLU 121 CO 0.55 0.76 -0.53 0.15 -0.73 0.00 0.00 179.01 179.21 1n18 s LYS 122 N -4.96 2.12 0.53 1.92 1.02 0.13 -4.92 119.74 115.57 1n18 s LYS 122 Ca -0.13 -2.18 -0.20 0.00 0.02 0.00 0.00 55.97 53.49 1n18 s LYS 122 Cb 0.09 -1.69 -0.06 0.00 -0.52 0.00 0.00 37.83 35.65 1n18 s LYS 122 CO 0.78 -0.23 1.11 0.00 -0.92 0.00 0.00 175.35 176.09 1n18 s ALA 123 N -2.76 2.74 -0.21 5.17 0.00 -1.21 -0.80 121.76 124.67 1n18 s ALA 123 Ca 0.24 0.78 -0.20 0.00 0.00 0.00 0.00 51.96 52.79 1n18 s ALA 123 Cb 0.05 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1n18 s ALA 123 CO 0.13 -0.67 0.59 0.34 0.00 0.00 0.00 175.76 176.15 1n18 s ASP 124 N -1.81 6.62 0.00 0.00 3.68 -1.26 -3.95 116.67 119.95 1n18 s ASP 124 Ca 0.71 0.75 0.06 0.00 2.13 0.00 0.00 52.55 56.21 1n18 s ASP 124 Cb -0.22 -2.33 0.35 0.00 -1.45 0.00 0.00 42.92 39.26 1n18 s ASP 124 CO 0.26 -0.27 1.22 -0.90 0.13 0.00 0.00 175.17 175.61 1n18 n ASP 125 N 5.13 0.03 -2.38 -0.34 3.85 0.14 -4.87 116.55 118.11 1n18 n ASP 125 Ca -0.02 -1.82 -0.18 0.00 -0.71 0.00 0.00 54.79 52.06 1n18 n ASP 125 Cb 0.50 -0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.25 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 -0.57 -1.63 -0.11 -2.12 4.77 -1.26 -1.76 117.00 114.31 1n18 n LEU 126 Ca 0.04 0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 56.09 1n18 n LEU 126 Cb 0.02 -2.64 -0.01 0.00 -2.33 0.00 0.00 43.42 38.47 1n18 n LEU 126 CO 0.03 -0.21 -0.01 0.61 -1.33 0.00 0.00 177.39 176.48 1n18 n GLY 127 N -0.91 0.51 0.79 -0.72 0.00 -1.25 -3.13 105.19 100.48 1n18 n GLY 127 Ca -0.21 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.84 2.90 0.24 1.61 5.02 -0.72 -4.63 118.16 119.73 1n18 n LYS 128 Ca -0.01 -2.57 0.15 0.00 -2.02 0.00 0.00 58.31 53.86 1n18 n LYS 128 Cb 0.06 -1.64 0.46 0.00 -0.02 0.00 0.00 35.03 33.89 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 1.85 0.00 0.00 0.72 0.00 -1.90 -3.47 103.07 100.26 1n18 h GLY 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n18 h GLY 129 CO 0.15 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.30 1n18 n GLY 130 N 0.51 0.91 3.73 4.60 0.00 -1.26 -4.99 105.19 108.70 1n18 n GLY 130 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.90 4.32 0.17 1.61 4.22 -1.26 -5.04 114.94 116.06 1n18 s ASN 131 Ca 0.00 -1.19 -0.15 0.00 -2.14 0.00 0.00 52.86 49.37 1n18 s ASN 131 Cb 0.00 -0.30 0.11 0.00 1.28 0.00 0.00 41.25 42.34 1n18 s ASN 131 CO 0.00 -0.60 1.71 -0.33 -2.04 0.00 0.00 177.10 175.84 1n18 h GLU 132 N 1.42 0.16 -0.72 3.55 5.08 -2.02 -2.64 114.58 119.41 1n18 h GLU 132 Ca -0.43 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 57.99 1n18 h GLU 132 Cb 1.26 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 1n18 h GLU 132 CO 0.71 0.10 0.47 1.49 -1.00 0.00 0.00 179.01 180.79 1n18 h GLU 133 N 0.16 0.71 -0.93 2.33 4.57 -2.00 -2.67 114.58 116.75 1n18 h GLU 133 Ca 0.19 -0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.42 1n18 h GLU 133 Cb 0.26 -0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 28.62 1n18 h GLU 133 CO -0.29 0.47 0.60 1.03 -1.18 0.00 0.00 179.01 179.64 1n18 h SER 134 N 0.73 0.89 0.44 1.04 0.87 -1.80 0.12 113.55 115.83 1n18 h SER 134 Ca 0.32 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1n18 h SER 134 Cb 0.30 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1n18 h SER 134 CO -0.11 0.54 0.00 0.35 -0.53 0.00 0.00 176.83 177.08 1n18 n THR 135 N -4.53 0.16 -0.05 2.23 -2.24 -1.01 -2.18 114.28 106.67 1n18 n THR 135 Ca 0.15 0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1n18 n THR 135 Cb 0.27 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 67.85 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 -1.26 0.20 0.00 -0.78 5.02 -0.28 -0.55 118.16 120.50 1n18 n LYS 136 Ca 0.13 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1n18 n LYS 136 Cb 0.19 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 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 -3.42 0.00 -1.15 -0.18 -2.24 0.24 -4.71 114.28 102.82 1n18 n THR 137 Ca -0.18 -0.34 -0.05 0.00 -2.27 0.00 0.00 64.05 61.21 1n18 n THR 137 Cb 0.63 1.13 -0.02 0.00 -2.10 0.00 0.00 70.33 69.97 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 0.40 0.77 2.94 3.38 0.00 -0.93 -3.01 105.19 108.74 1n18 n GLY 138 Ca 0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 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 0.58 -6.02 0.08 1.61 3.02 -1.25 -0.68 115.26 112.60 1n18 n ASN 139 Ca -0.05 -0.25 0.11 0.00 -0.03 0.00 0.00 54.58 54.36 1n18 n ASN 139 Cb 0.21 -4.89 0.44 0.00 -0.61 0.00 0.00 39.78 34.94 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 -3.33 1.84 -0.29 5.41 0.00 -1.16 -4.66 120.51 118.32 1n18 n ALA 140 Ca -0.13 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1n18 n ALA 140 Cb 0.63 -1.37 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 0.39 -0.36 3.67 0.00 0.00 -1.26 -0.70 105.19 106.94 1n18 n GLY 141 Ca 0.04 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 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 3.06 -0.50 1.61 1.04 -1.26 -4.67 113.70 108.99 1n18 s SER 142 Ca 0.00 1.77 -0.17 0.00 0.48 0.00 0.00 55.95 58.03 1n18 s SER 142 Cb 0.00 -2.38 0.08 0.00 0.10 0.00 0.00 66.02 63.82 1n18 s SER 142 CO 0.00 -2.94 0.48 -0.13 0.98 0.00 0.00 173.24 171.63 1n18 s ARG 143 N -4.76 3.02 0.17 4.02 0.52 -1.26 -0.59 118.95 120.07 1n18 s ARG 143 Ca 0.65 -1.29 -0.03 0.00 -0.52 0.00 0.00 55.73 54.53 1n18 s ARG 143 Cb -0.20 -4.15 0.06 0.00 0.52 0.00 0.00 34.95 31.17 1n18 s ARG 143 CO 0.58 -1.14 1.45 -0.07 0.02 0.00 0.00 175.30 176.14 1n18 h LEU 144 N 9.06 0.60 -7.16 2.53 3.38 -1.59 -3.47 115.31 118.66 1n18 h LEU 144 Ca -0.28 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.28 1n18 h LEU 144 Cb 1.10 -0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.54 1n18 h LEU 144 CO 0.93 1.09 0.08 0.00 0.09 0.00 0.00 178.44 180.64 1n18 s ALA 145 N -3.80 -1.37 0.26 1.53 0.00 -1.18 -4.15 121.76 113.05 1n18 s ALA 145 Ca -0.07 0.48 -0.21 0.00 0.00 0.00 0.00 51.96 52.16 1n18 s ALA 145 Cb 0.11 0.58 0.03 0.00 0.00 0.00 0.00 23.12 23.83 1n18 s ALA 145 CO 0.85 -0.61 0.70 0.00 0.00 0.00 0.00 175.76 176.70 1n18 s GLY 147 N -2.90 -0.33 0.08 0.00 0.00 -0.62 -1.59 107.32 101.97 1n18 s GLY 147 Ca 0.10 1.97 -0.30 0.00 0.00 0.00 0.00 44.72 46.49 1n18 s GLY 147 CO 0.04 1.16 1.09 0.14 0.00 0.00 0.00 173.10 175.54 1n18 s VAL 148 N -0.87 4.24 -0.40 1.40 1.01 -1.26 -1.04 120.40 123.48 1n18 s VAL 148 Ca -0.03 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 63.37 1n18 s VAL 148 Cb -0.01 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.29 1n18 s VAL 148 CO 0.02 0.19 1.30 -0.63 0.00 0.00 0.00 175.10 175.98 1n18 s ILE 149 N 0.59 4.06 0.22 2.22 1.01 0.63 -4.52 121.20 125.41 1n18 s ILE 149 Ca 0.53 1.12 0.08 0.00 0.00 0.00 0.00 60.65 62.39 1n18 s ILE 149 Cb -0.27 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 1n18 s ILE 149 CO 0.30 -0.74 0.03 -0.83 0.00 0.00 0.00 174.94 173.70 1n18 s GLY 150 N 3.19 1.65 0.20 6.18 0.00 0.01 -0.28 107.32 118.27 1n18 s GLY 150 Ca 0.56 -1.48 -0.30 0.00 0.00 0.00 0.00 44.72 43.50 1n18 s GLY 150 CO 0.29 -1.52 1.37 -0.42 0.00 0.00 0.00 173.10 172.83 1n18 s ILE 151 N -2.01 3.04 0.25 0.90 1.01 -1.26 -1.02 121.20 122.11 1n18 s ILE 151 Ca 0.30 0.83 0.10 0.00 0.00 0.00 0.00 60.65 61.88 1n18 s ILE 151 Cb -0.08 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1n18 s ILE 151 CO 0.20 0.11 -0.08 0.00 0.00 0.00 0.00 174.94 175.17 1n18 s ALA 152 N 0.32 3.00 -2.00 9.38 0.00 -0.36 -4.80 121.76 127.29 1n18 s ALA 152 Ca 0.60 -1.67 0.23 0.00 0.00 0.00 0.00 51.96 51.11 1n18 s ALA 152 Cb -0.38 -0.63 1.35 0.00 0.00 0.00 0.00 23.12 23.46 1n18 s ALA 152 CO 0.38 0.32 1.72 0.94 0.00 0.00 0.00 175.76 179.12