#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 1.17 -4.24 0.00 -1.04 -1.26 -4.54 114.28 104.36 1n18 n THR 2 Ca 0.00 -0.80 -0.19 0.00 -2.04 0.00 0.00 64.05 61.02 1n18 n THR 2 Cb 0.00 -0.39 -0.12 0.00 -1.82 0.00 0.00 70.33 67.99 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 -2.65 0.86 0.16 -2.82 1.02 -1.26 -0.26 119.74 114.79 1n18 s LYS 3 Ca -0.10 -0.87 -0.12 0.00 0.02 0.00 0.00 55.97 54.90 1n18 s LYS 3 Cb 0.07 -0.88 0.01 0.00 -0.52 0.00 0.00 37.83 36.51 1n18 s LYS 3 CO 0.84 0.20 0.36 0.00 -0.92 0.00 0.00 175.35 175.83 1n18 s ALA 4 N -1.10 -0.42 -0.02 5.17 0.00 -0.35 -1.65 121.76 123.40 1n18 s ALA 4 Ca -0.00 -0.55 -0.18 0.00 0.00 0.00 0.00 51.96 51.22 1n18 s ALA 4 Cb -0.09 0.79 0.03 0.00 0.00 0.00 0.00 23.12 23.85 1n18 s ALA 4 CO 0.02 -0.67 0.38 0.54 0.00 0.00 0.00 175.76 176.03 1n18 s VAL 5 N -3.91 0.05 -0.04 0.00 0.11 0.29 -0.20 120.40 116.70 1n18 s VAL 5 Ca 0.11 -0.39 0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1n18 s VAL 5 Cb 0.02 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 1n18 s VAL 5 CO -0.04 -0.22 -0.03 0.00 -3.33 0.00 0.00 175.10 171.49 1n18 s ALA 6 N -1.40 0.52 -0.35 1.54 0.00 -0.10 -0.93 121.76 121.04 1n18 s ALA 6 Ca -0.12 0.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 1n18 s ALA 6 Cb -0.04 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1n18 s ALA 6 CO 0.05 -0.02 0.20 0.08 0.00 0.00 0.00 175.76 176.06 1n18 s VAL 7 N 0.91 4.72 -0.08 0.00 1.01 -1.26 -1.13 120.40 124.57 1n18 s VAL 7 Ca -0.11 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 1n18 s VAL 7 Cb -0.14 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1n18 s VAL 7 CO -0.00 -0.09 0.79 -0.76 0.00 0.00 0.00 175.10 175.03 1n18 s LEU 8 N 1.61 4.29 0.01 3.92 1.43 0.54 -3.93 118.68 126.56 1n18 s LEU 8 Ca 0.04 1.29 -0.08 0.00 -1.03 0.00 0.00 54.13 54.35 1n18 s LEU 8 Cb -0.18 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 42.81 1n18 s LEU 8 CO 0.07 -0.22 0.15 -0.54 0.23 0.00 0.00 176.35 176.05 1n18 s LYS 9 N 1.17 0.55 0.00 1.70 1.02 -0.53 -2.22 119.74 121.44 1n18 s LYS 9 Ca 0.41 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.91 1n18 s LYS 9 Cb -0.18 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 1n18 s LYS 9 CO 0.19 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 1n18 n GLY 10 N 1.19 3.74 0.04 -3.33 0.00 -1.25 -1.21 105.19 104.37 1n18 n GLY 10 Ca -0.21 -1.08 0.13 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.31 0.50 0.00 1.61 8.00 -1.26 -4.91 116.55 120.18 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 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 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 3.65 0.05 0.44 0.00 -1.26 -5.02 105.19 104.47 1n18 n GLY 12 Ca 0.05 -1.91 0.13 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 0.15 -2.09 1.61 -0.04 -1.26 -4.88 135.00 128.49 1n18 n PRO 13 Ca 0.00 0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 1n18 n PRO 13 Cb 0.00 -1.65 -0.03 0.00 -0.04 0.00 0.00 33.50 31.78 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 -3.07 3.64 0.14 0.52 1.01 -1.26 -4.44 120.40 116.95 1n18 s VAL 14 Ca 0.11 0.86 -0.16 0.00 0.00 0.00 0.00 61.98 62.79 1n18 s VAL 14 Cb 0.15 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 33.01 1n18 s VAL 14 CO 0.60 -0.06 0.42 0.00 0.00 0.00 0.00 175.10 176.07 1n18 s GLN 15 N 3.54 1.14 0.00 2.72 -2.07 -0.97 -3.76 119.66 120.26 1n18 s GLN 15 Ca 0.69 -0.76 0.00 0.00 -1.82 0.00 0.00 55.36 53.48 1n18 s GLN 15 Cb -0.32 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.08 1n18 s GLN 15 CO 0.27 -0.46 0.00 0.41 -1.32 0.00 0.00 175.29 174.20 1n18 n GLY 16 N -0.25 -0.52 2.90 2.60 0.00 -0.94 -0.92 105.19 108.05 1n18 n GLY 16 Ca -0.14 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 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 0.89 -0.16 -0.61 1.01 -0.87 -0.34 121.20 119.12 1n18 s ILE 17 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.42 1n18 s ILE 17 Cb 0.00 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.57 1n18 s ILE 17 CO 0.00 0.33 -0.18 -0.63 0.00 0.00 0.00 174.94 174.47 1n18 s ILE 18 N 1.49 2.39 0.11 2.92 -1.09 -0.28 -2.57 121.20 124.17 1n18 s ILE 18 Ca 0.00 -0.85 -0.01 0.00 -2.23 0.00 0.00 60.65 57.55 1n18 s ILE 18 Cb -0.13 -2.00 -0.04 0.00 -1.58 0.00 0.00 42.46 38.70 1n18 s ILE 18 CO -0.05 0.52 0.29 0.20 -1.23 0.00 0.00 174.94 174.68 1n18 s ASN 19 N 0.96 6.40 -0.01 3.58 0.01 0.83 -0.93 114.94 125.79 1n18 s ASN 19 Ca -0.03 0.38 0.03 0.00 -0.71 0.00 0.00 52.86 52.53 1n18 s ASN 19 Cb -0.15 -2.00 -0.01 0.00 0.41 0.00 0.00 41.25 39.50 1n18 s ASN 19 CO -0.04 0.10 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.18 1n18 s PHE 20 N -1.62 0.95 -0.12 2.20 0.08 0.71 -1.91 117.98 118.27 1n18 s PHE 20 Ca 0.37 -0.18 -0.06 0.00 0.12 0.00 0.00 56.93 57.18 1n18 s PHE 20 Cb -0.12 -0.62 0.05 0.00 -0.57 0.00 0.00 43.02 41.76 1n18 s PHE 20 CO 0.27 -0.02 0.28 -2.00 -0.10 0.00 0.00 175.22 173.65 1n18 s GLU 21 N -0.21 0.25 -0.23 0.44 2.12 -0.51 -1.21 118.70 119.34 1n18 s GLU 21 Ca 0.03 0.58 -0.01 0.00 0.36 0.00 0.00 54.97 55.94 1n18 s GLU 21 Cb -0.04 -0.08 0.07 0.00 0.26 0.00 0.00 34.13 34.33 1n18 s GLU 21 CO -0.00 -0.16 -0.00 -1.14 -0.54 0.00 0.00 175.26 173.42 1n18 s GLN 22 N 1.23 1.18 0.16 4.30 0.74 0.64 -0.61 119.66 127.30 1n18 s GLN 22 Ca -0.09 -0.83 -0.14 0.00 0.05 0.00 0.00 55.36 54.35 1n18 s GLN 22 Cb -0.09 -2.38 0.05 0.00 1.10 0.00 0.00 33.01 31.69 1n18 s GLN 22 CO -0.09 -0.67 1.78 -0.22 -0.55 0.00 0.00 175.29 175.54 1n18 h LYS 23 N 8.06 0.72 -5.31 1.67 3.64 -1.83 -3.43 116.57 120.09 1n18 h LYS 23 Ca -0.16 -0.08 -0.46 0.00 -1.27 0.00 0.00 60.65 58.68 1n18 h LYS 23 Cb 1.08 -0.14 -0.26 0.00 -0.41 0.00 0.00 32.23 32.49 1n18 h LYS 23 CO 0.40 0.55 -0.80 -1.21 -2.27 0.00 0.00 179.45 176.12 1n18 s GLU 24 N -5.88 1.01 0.57 1.90 0.41 -1.26 -5.03 118.70 110.41 1n18 s GLU 24 Ca -0.13 -0.66 0.28 0.00 -0.41 0.00 0.00 54.97 54.05 1n18 s GLU 24 Cb 0.12 -1.00 1.48 0.00 -1.78 0.00 0.00 34.13 32.95 1n18 s GLU 24 CO 0.76 0.26 1.96 0.66 -0.49 0.00 0.00 175.26 178.40 1n18 h SER 25 N 5.25 0.00 -0.41 -0.19 4.64 -1.95 0.35 113.55 121.24 1n18 h SER 25 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1n18 h SER 25 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1n18 h SER 25 CO 0.46 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.96 1n18 n ASN 26 N -3.99 3.83 -5.02 4.97 6.94 -1.26 -4.93 115.26 115.80 1n18 n ASN 26 Ca 0.09 -2.49 -0.20 0.00 -0.02 0.00 0.00 54.58 51.96 1n18 n ASN 26 Cb 0.63 -0.45 0.05 0.00 -2.36 0.00 0.00 39.78 37.66 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 -1.29 1.79 0.73 4.83 0.00 0.12 -5.11 107.32 108.38 1n18 s GLY 27 Ca 0.38 -2.05 -0.11 0.00 0.00 0.00 0.00 44.72 42.94 1n18 s GLY 27 CO 0.16 -1.68 1.08 2.56 0.00 0.00 0.00 173.10 175.22 1n18 s PRO 28 N -4.61 2.68 -0.16 2.90 0.04 -1.26 -4.85 135.00 129.75 1n18 s PRO 28 Ca 0.60 0.67 -0.04 0.00 0.04 0.00 0.00 61.00 62.27 1n18 s PRO 28 Cb -0.06 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1n18 s PRO 28 CO 0.37 -1.21 -0.04 0.08 0.04 0.00 0.00 177.00 176.25 1n18 s VAL 29 N -3.19 3.87 -0.10 -0.36 1.01 0.11 -4.33 120.40 117.40 1n18 s VAL 29 Ca 0.59 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 1n18 s VAL 29 Cb -0.13 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1n18 s VAL 29 CO 0.54 0.49 0.38 -0.54 0.00 0.00 0.00 175.10 175.97 1n18 s LYS 30 N 0.39 4.18 -0.12 2.72 1.02 0.22 -0.91 119.74 127.23 1n18 s LYS 30 Ca -0.04 0.30 0.02 0.00 0.02 0.00 0.00 55.97 56.27 1n18 s LYS 30 Cb -0.14 -3.37 0.01 0.00 -0.52 0.00 0.00 37.83 33.81 1n18 s LYS 30 CO 0.03 0.34 -0.19 0.08 -0.92 0.00 0.00 175.35 174.69 1n18 s VAL 31 N 0.09 1.79 0.04 3.17 1.01 0.17 -1.42 120.40 125.25 1n18 s VAL 31 Ca 0.22 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 1n18 s VAL 31 Cb -0.15 -1.60 0.05 0.00 0.00 0.00 0.00 36.38 34.68 1n18 s VAL 31 CO 0.09 0.50 0.48 -1.66 0.00 0.00 0.00 175.10 174.51 1n18 s TRP 32 N 0.88 -0.37 -5.00 5.22 -2.14 -0.80 0.85 118.94 117.57 1n18 s TRP 32 Ca -0.07 0.41 0.00 0.00 2.66 0.00 0.00 56.10 59.10 1n18 s TRP 32 Cb -0.15 0.29 0.00 0.00 -3.10 0.00 0.00 33.47 30.51 1n18 s TRP 32 CO -0.01 -0.61 0.00 0.41 -2.66 0.00 0.00 176.95 174.08 1n18 n GLY 33 N 0.50 -0.32 3.28 3.67 0.00 -0.14 -0.12 105.19 112.06 1n18 n GLY 33 Ca -0.19 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 1n18 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n18 s SER 34 N -4.00 -0.22 -0.02 1.61 1.04 -1.06 -0.16 113.70 110.88 1n18 s SER 34 Ca 0.00 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.48 1n18 s SER 34 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1n18 s SER 34 CO 0.00 -0.56 -0.08 -0.63 0.98 0.00 0.00 173.24 172.95 1n18 s ILE 35 N -1.93 0.70 0.33 -1.02 1.01 -0.57 -2.05 121.20 117.67 1n18 s ILE 35 Ca -0.09 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1n18 s ILE 35 Cb -0.03 -0.62 -0.07 0.00 0.01 0.00 0.00 42.46 41.75 1n18 s ILE 35 CO 0.01 0.22 0.01 -1.59 0.00 0.00 0.00 174.94 173.59 1n18 s LYS 36 N 0.14 1.69 0.00 2.79 -2.85 -0.10 -0.55 119.74 120.86 1n18 s LYS 36 Ca -0.02 -1.92 0.00 0.00 -1.00 0.00 0.00 55.97 53.03 1n18 s LYS 36 Cb -0.07 -1.14 0.00 0.00 -2.06 0.00 0.00 37.83 34.56 1n18 s LYS 36 CO 0.00 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.78 1n18 n GLY 37 N -0.72 0.64 3.92 0.59 0.00 -0.85 -2.28 105.19 106.49 1n18 n GLY 37 Ca -0.04 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 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 4.13 0.35 0.99 1.43 -0.77 -4.27 118.68 120.54 1n18 s LEU 38 Ca 0.00 0.50 -0.25 0.00 -1.03 0.00 0.00 54.13 53.35 1n18 s LEU 38 Cb 0.00 -3.31 -0.10 0.00 0.03 0.00 0.00 46.19 42.81 1n18 s LEU 38 CO 0.00 -0.15 0.98 0.42 0.23 0.00 0.00 176.35 177.83 1n18 s THR 39 N -2.04 4.04 0.28 5.49 -4.23 -1.26 -4.09 115.64 113.83 1n18 s THR 39 Ca 0.40 1.63 -0.29 0.00 -1.18 0.00 0.00 61.69 62.26 1n18 s THR 39 Cb -0.10 -3.88 -0.14 0.00 1.34 0.00 0.00 72.50 69.72 1n18 s THR 39 CO 0.31 0.08 1.14 1.21 -0.54 0.00 0.00 174.62 176.82 1n18 n GLU 40 N 0.31 1.60 0.00 3.99 2.13 -1.26 -4.64 120.64 122.77 1n18 n GLU 40 Ca 0.03 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.41 1n18 n GLU 40 Cb 0.50 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.18 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 1.31 0.06 3.78 8.31 0.00 -0.25 -4.91 105.19 113.48 1n18 n GLY 41 Ca 0.09 -2.28 -0.37 0.00 0.00 0.00 0.00 46.02 43.45 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 4.37 -0.05 0.99 1.43 -1.26 -0.81 118.68 123.35 1n18 s LEU 42 Ca 0.00 1.88 -0.02 0.00 -1.03 0.00 0.00 54.13 54.96 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 -0.07 0.10 -1.00 0.23 0.00 0.00 176.35 175.60 1n18 s HIS 43 N -1.55 -0.08 0.49 0.29 3.76 -0.54 -3.44 115.29 114.22 1n18 s HIS 43 Ca 0.49 0.34 -0.22 0.00 -0.15 0.00 0.00 55.06 55.53 1n18 s HIS 43 Cb -0.20 -0.17 -0.08 0.00 1.11 0.00 0.00 32.58 33.23 1n18 s HIS 43 CO 0.26 -0.14 0.97 0.41 -0.85 0.00 0.00 174.74 175.38 1n18 n GLY 44 N 4.30 -0.31 2.74 -2.22 0.00 -0.49 -1.26 105.19 107.95 1n18 n GLY 44 Ca -0.25 0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.39 -0.28 0.12 1.61 5.36 0.06 -0.01 117.98 123.45 1n18 s PHE 45 Ca 0.68 0.03 -0.06 0.00 -0.96 0.00 0.00 56.93 56.62 1n18 s PHE 45 Cb -0.50 -0.43 -0.02 0.00 -0.34 0.00 0.00 43.02 41.73 1n18 s PHE 45 CO 0.53 -0.71 0.16 -1.01 -1.46 0.00 0.00 175.22 172.73 1n18 s HIS 46 N 2.32 0.44 -0.29 10.12 3.76 -0.66 -2.25 115.29 128.73 1n18 s HIS 46 Ca 0.08 -0.86 -0.12 0.00 -0.15 0.00 0.00 55.06 54.01 1n18 s HIS 46 Cb -0.15 -0.20 -0.04 0.00 1.11 0.00 0.00 32.58 33.29 1n18 s HIS 46 CO -0.20 -0.57 0.24 0.08 -0.85 0.00 0.00 174.74 173.44 1n18 s VAL 47 N -3.94 5.27 0.21 -0.90 1.01 0.30 -0.29 120.40 122.06 1n18 s VAL 47 Ca 0.13 0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.26 1n18 s VAL 47 Cb 0.05 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 1n18 s VAL 47 CO -0.05 0.19 0.47 -1.00 0.00 0.00 0.00 175.10 174.72 1n18 s HIS 48 N 1.83 3.46 0.21 5.22 3.76 0.23 -0.75 115.29 129.24 1n18 s HIS 48 Ca 0.09 0.66 -0.13 0.00 -0.15 0.00 0.00 55.06 55.53 1n18 s HIS 48 Cb -0.16 -2.10 0.25 0.00 1.11 0.00 0.00 32.58 31.68 1n18 s HIS 48 CO 0.11 0.32 1.63 1.49 -0.85 0.00 0.00 174.74 177.44 1n18 h GLU 49 N 2.41 0.02 -5.71 1.40 4.81 -0.94 -2.53 114.58 114.04 1n18 h GLU 49 Ca -0.47 -0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.09 1n18 h GLU 49 Cb 1.17 -0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.45 1n18 h GLU 49 CO 0.70 0.01 -0.53 -0.06 -0.73 0.00 0.00 179.01 178.40 1n18 s PHE 50 N -6.21 3.44 -0.62 0.92 0.08 -0.25 -4.64 117.98 110.69 1n18 s PHE 50 Ca -0.14 0.39 -0.04 0.00 0.12 0.00 0.00 56.93 57.26 1n18 s PHE 50 Cb 0.19 -1.91 0.09 0.00 -0.57 0.00 0.00 43.02 40.82 1n18 s PHE 50 CO 0.74 0.61 2.67 0.41 -0.10 0.00 0.00 175.22 179.54 1n18 n GLY 51 N 2.17 4.56 3.21 4.36 0.00 -1.12 -3.57 105.19 114.80 1n18 n GLY 51 Ca -0.19 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.51 1n18 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n18 s ASP 52 N 0.27 5.16 -0.17 1.61 3.68 -1.26 -4.95 116.67 121.01 1n18 s ASP 52 Ca 0.58 -1.33 0.16 0.00 2.13 0.00 0.00 52.55 54.08 1n18 s ASP 52 Cb 0.35 -1.81 0.65 0.00 -1.45 0.00 0.00 42.92 40.66 1n18 s ASP 52 CO -0.21 -0.34 1.56 -3.20 0.13 0.00 0.00 175.17 173.11 1n18 n ASN 53 N 4.72 4.63 0.26 -0.34 4.05 -1.26 -3.13 115.26 124.18 1n18 n ASN 53 Ca -0.11 -2.80 0.10 0.00 0.45 0.00 0.00 54.58 52.21 1n18 n ASN 53 Cb 0.44 -0.58 0.70 0.00 1.23 0.00 0.00 39.78 41.57 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 3.02 0.85 -0.68 -0.44 1.35 -1.93 -1.47 112.91 113.60 1n18 h THR 54 Ca 0.00 -0.21 -0.50 0.00 -0.55 0.00 0.00 66.41 65.15 1n18 h THR 54 Cb 1.58 1.12 -0.39 0.00 -1.73 0.00 0.00 68.15 68.73 1n18 h THR 54 CO 0.30 0.06 -0.77 0.00 -0.25 0.00 0.00 175.52 174.85 1n18 n ALA 55 N -2.44 4.90 -0.62 6.62 0.00 -1.26 -5.04 120.51 122.67 1n18 n ALA 55 Ca -0.03 -3.74 0.00 0.00 0.00 0.00 0.00 53.44 49.67 1n18 n ALA 55 Cb 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.75 1.24 0.17 0.00 0.00 -0.55 -2.54 105.19 102.76 1n18 n GLY 56 Ca 0.42 -0.69 0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 1.10 -0.00 0.00 2.02 -1.82 -2.45 112.91 111.75 1n18 h THR 58 Ca 0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1n18 h THR 58 Cb 0.60 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1n18 h THR 58 CO 0.00 0.12 -0.03 -1.54 0.37 0.00 0.00 175.52 174.44 1n18 n SER 59 N -4.42 0.49 0.11 4.18 3.41 -1.22 -3.87 113.62 112.30 1n18 n SER 59 Ca -0.01 -0.96 0.11 0.00 -0.26 0.00 0.00 58.87 57.75 1n18 n SER 59 Cb 0.16 -0.04 0.46 0.00 -0.26 0.00 0.00 64.21 64.53 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 -0.72 1.56 -0.21 7.33 0.00 -0.92 -4.53 120.51 123.02 1n18 n ALA 60 Ca 0.20 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1n18 n ALA 60 Cb 0.22 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.21 -1.54 2.52 0.00 0.00 -1.25 -1.09 105.19 103.61 1n18 n GLY 61 Ca 0.02 -1.29 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.26 -0.88 -1.91 1.61 -0.04 -1.26 -4.67 135.00 127.59 1n18 n PRO 62 Ca 0.00 -1.34 -0.40 0.00 -0.04 0.00 0.00 63.50 61.72 1n18 n PRO 62 Cb 0.00 -0.90 -0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 -2.89 2.68 -0.00 0.54 3.76 -1.26 -0.66 115.29 117.46 1n18 s HIS 63 Ca 0.49 1.29 -0.30 0.00 -0.15 0.00 0.00 55.06 56.40 1n18 s HIS 63 Cb -0.01 -3.85 -0.09 0.00 1.11 0.00 0.00 32.58 29.74 1n18 s HIS 63 CO 0.35 -2.57 2.01 0.34 -0.85 0.00 0.00 174.74 174.01 1n18 n PHE 64 N 0.25 2.43 -3.14 1.40 -0.00 0.07 -4.41 117.46 114.06 1n18 n PHE 64 Ca 0.03 -0.33 -0.19 0.00 -0.00 0.00 0.00 57.45 56.95 1n18 n PHE 64 Cb 0.41 -2.79 -0.03 0.00 -0.00 0.00 0.00 39.48 37.07 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 8.07 0.23 0.28 -2.13 5.15 -1.26 -1.53 115.26 124.07 1n18 n ASN 65 Ca 0.22 -2.95 0.14 0.00 -0.60 0.00 0.00 54.58 51.38 1n18 n ASN 65 Cb 0.41 -0.37 0.80 0.00 -0.53 0.00 0.00 39.78 40.09 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 3.41 0.00 -0.27 1.20 0.13 -1.97 -2.05 132.00 132.46 1n18 h PRO 66 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1n18 h PRO 66 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1n18 h PRO 66 CO 0.46 0.07 0.00 1.28 -0.23 0.00 0.00 178.00 179.58 1n18 n LEU 67 N -3.73 2.21 -3.76 1.56 4.77 -1.26 -4.96 117.00 111.83 1n18 n LEU 67 Ca -0.02 -0.97 -0.27 0.00 -0.03 0.00 0.00 56.01 54.72 1n18 n LEU 67 Cb 0.18 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1n18 n LEU 67 CO 0.29 0.48 -0.12 -1.20 -1.33 0.00 0.00 177.39 175.52 1n18 n SER 68 N 0.68 -2.95 -4.81 -1.43 7.64 -0.77 -5.00 113.62 106.98 1n18 n SER 68 Ca 0.16 -0.96 -0.26 0.00 1.01 0.00 0.00 58.87 58.82 1n18 n SER 68 Cb 0.40 -3.47 -0.05 0.00 -1.01 0.00 0.00 64.21 60.08 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 -6.11 2.25 0.42 1.43 0.52 -1.26 -5.12 118.95 111.07 1n18 s ARG 69 Ca 0.23 -1.99 -0.14 0.00 -0.52 0.00 0.00 55.73 53.31 1n18 s ARG 69 Cb -0.08 -1.97 -0.08 0.00 0.52 0.00 0.00 34.95 33.34 1n18 s ARG 69 CO 0.86 -0.36 0.83 0.15 0.02 0.00 0.00 175.30 176.80 1n18 s LYS 70 N -4.06 3.91 0.62 3.54 1.02 -1.26 -4.69 119.74 118.81 1n18 s LYS 70 Ca 0.33 0.69 -0.19 0.00 0.02 0.00 0.00 55.97 56.82 1n18 s LYS 70 Cb 0.01 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1n18 s LYS 70 CO 0.19 -0.06 1.26 1.58 -0.92 0.00 0.00 175.35 177.41 1n18 n HIS 71 N -1.12 1.87 -3.33 3.18 -0.00 -0.42 -3.06 115.22 112.33 1n18 n HIS 71 Ca 0.04 0.43 -0.00 0.00 -0.00 0.00 0.00 57.72 58.18 1n18 n HIS 71 Cb 0.54 -2.27 0.00 0.00 -0.00 0.00 0.00 29.99 28.26 1n18 n HIS 71 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1n18 n GLY 72 N 0.93 1.47 3.89 1.57 0.00 -1.26 -4.50 105.19 107.31 1n18 n GLY 72 Ca 0.14 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.71 1.64 0.52 -0.02 0.00 -1.20 -4.69 107.32 101.86 1n18 s GLY 73 Ca 0.02 -0.39 0.24 0.00 0.00 0.00 0.00 44.72 44.59 1n18 s GLY 73 CO 0.01 -0.21 2.00 -0.56 0.00 0.00 0.00 173.10 174.33 1n18 h PRO 74 N 0.48 0.03 -0.52 2.90 0.13 -1.88 -0.36 132.00 132.78 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 1.20 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1n18 h PRO 74 CO 0.62 0.02 0.00 1.63 -0.23 0.00 0.00 178.00 180.04 1n18 n LYS 75 N -4.39 2.24 -3.43 0.86 4.76 -1.26 -4.90 118.16 112.04 1n18 n LYS 75 Ca 0.09 -1.86 -0.36 0.00 -2.87 0.00 0.00 58.31 53.32 1n18 n LYS 75 Cb 0.58 -1.42 -0.06 0.00 -1.84 0.00 0.00 35.03 32.29 1n18 n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1n18 s ASP 76 N -0.98 6.80 0.13 4.39 -0.00 -0.15 -4.98 116.67 121.89 1n18 s ASP 76 Ca 0.34 1.00 -0.14 0.00 -0.00 0.00 0.00 52.55 53.75 1n18 s ASP 76 Cb 0.18 -2.26 -0.01 0.00 -0.00 0.00 0.00 42.92 40.84 1n18 s ASP 76 CO 0.23 0.19 1.60 -0.08 -0.00 0.00 0.00 175.17 177.11 1n18 h GLU 77 N 3.96 0.73 -5.79 8.23 4.22 -1.90 -3.38 114.58 120.65 1n18 h GLU 77 Ca -0.49 -0.21 -0.63 0.00 0.08 0.00 0.00 59.36 58.11 1n18 h GLU 77 Cb 1.20 -0.08 -0.13 0.00 0.50 0.00 0.00 28.75 30.25 1n18 h GLU 77 CO 0.65 0.78 0.39 -2.00 -2.18 0.00 0.00 179.01 176.65 1n18 s GLU 78 N -5.11 3.39 -0.00 1.92 2.56 -1.26 -4.99 118.70 115.22 1n18 s GLU 78 Ca -0.13 -0.13 -0.30 0.00 0.00 0.00 0.00 54.97 54.41 1n18 s GLU 78 Cb 0.10 -3.96 0.10 0.00 2.00 0.00 0.00 34.13 32.38 1n18 s GLU 78 CO 0.79 -1.18 1.09 -0.98 -0.56 0.00 0.00 175.26 174.43 1n18 s ARG 79 N 3.39 0.69 0.36 4.30 1.04 -1.17 -4.12 118.95 123.44 1n18 s ARG 79 Ca 0.30 -0.34 -0.25 0.00 -1.04 0.00 0.00 55.73 54.40 1n18 s ARG 79 Cb -0.12 0.27 -0.10 0.00 -2.04 0.00 0.00 34.95 32.95 1n18 s ARG 79 CO 0.22 -0.31 0.95 -1.01 -0.04 0.00 0.00 175.30 175.11 1n18 s HIS 80 N -2.81 3.57 0.39 5.89 3.76 -1.23 -4.68 115.29 120.18 1n18 s HIS 80 Ca 0.11 1.73 0.09 0.00 -0.15 0.00 0.00 55.06 56.84 1n18 s HIS 80 Cb 0.01 -2.91 0.87 0.00 1.11 0.00 0.00 32.58 31.66 1n18 s HIS 80 CO -0.03 0.09 1.97 0.28 -0.85 0.00 0.00 174.74 176.20 1n18 h VAL 81 N 2.40 0.96 0.00 -0.90 2.07 -1.82 -1.54 116.25 117.42 1n18 h VAL 81 Ca -0.47 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1n18 h VAL 81 Cb 1.19 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1n18 h VAL 81 CO 0.64 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.95 1n18 n GLY 82 N -1.48 -1.01 3.57 2.17 0.00 -0.58 -4.47 105.19 103.40 1n18 n GLY 82 Ca 0.10 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.06 6.02 -0.17 1.61 1.01 -0.58 -0.54 116.67 121.97 1n18 s ASP 83 Ca 0.45 0.17 0.16 0.00 0.71 0.00 0.00 52.55 54.04 1n18 s ASP 83 Cb 0.21 -2.55 0.55 0.00 1.01 0.00 0.00 42.92 42.15 1n18 s ASP 83 CO 0.37 -1.82 1.45 0.18 0.21 0.00 0.00 175.17 175.57 1n18 n LEU 84 N 9.96 4.05 0.00 1.23 4.77 -0.95 -3.68 117.00 132.38 1n18 n LEU 84 Ca 0.12 -2.88 0.00 0.00 -0.03 0.00 0.00 56.01 53.21 1n18 n LEU 84 Cb 0.49 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1n18 n LEU 84 CO 0.71 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 178.06 1n18 n GLY 85 N -0.21 1.71 3.29 -0.72 0.00 -1.20 -4.78 105.19 103.28 1n18 n GLY 85 Ca 0.21 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 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 0.24 1.61 0.01 -1.26 -0.76 114.94 113.31 1n18 s ASN 86 Ca 0.00 -0.69 0.09 0.00 -0.71 0.00 0.00 52.86 51.55 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 0.06 0.01 0.68 -1.51 0.00 0.00 177.10 176.34 1n18 s VAL 87 N -1.18 3.60 -0.17 1.60 -7.23 -0.39 -4.90 120.40 111.73 1n18 s VAL 87 Ca 0.07 -1.74 0.01 0.00 -1.81 0.00 0.00 61.98 58.50 1n18 s VAL 87 Cb -0.10 -2.89 0.01 0.00 0.56 0.00 0.00 36.38 33.96 1n18 s VAL 87 CO 0.04 -0.30 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.46 1n18 s THR 88 N -2.14 2.24 -0.04 5.32 2.01 -1.26 -1.46 115.64 120.31 1n18 s THR 88 Ca 0.30 -0.89 -0.18 0.00 0.31 0.00 0.00 61.69 61.23 1n18 s THR 88 Cb -0.07 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 1n18 s THR 88 CO 0.20 0.53 0.51 0.00 -0.69 0.00 0.00 174.62 175.16 1n18 s ALA 89 N 1.17 3.54 0.97 7.40 0.00 0.01 -4.06 121.76 130.80 1n18 s ALA 89 Ca 0.02 -0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.78 1n18 s ALA 89 Cb -0.14 -2.62 0.12 0.00 0.00 0.00 0.00 23.12 20.49 1n18 s ALA 89 CO -0.09 0.19 0.74 -0.40 0.00 0.00 0.00 175.76 176.21 1n18 n ASP 90 N 2.79 0.10 0.29 0.00 3.85 0.10 -1.09 116.55 122.60 1n18 n ASP 90 Ca -0.09 -1.29 0.16 0.00 -0.71 0.00 0.00 54.79 52.86 1n18 n ASP 90 Cb 0.51 -0.56 0.92 0.00 -1.35 0.00 0.00 41.12 40.65 1n18 n ASP 90 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 1n18 h LYS 91 N 0.00 0.00 -0.24 0.11 2.10 -1.97 0.38 116.57 116.94 1n18 h LYS 91 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1n18 h LYS 91 Cb 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 1n18 h LYS 91 CO 0.17 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.37 1n18 n ASP 92 N -3.80 1.59 -0.09 7.07 10.43 -1.26 -4.86 116.55 125.63 1n18 n ASP 92 Ca -0.02 -1.86 -0.01 0.00 2.57 0.00 0.00 54.79 55.46 1n18 n ASP 92 Cb 0.11 -0.16 -0.01 0.00 1.84 0.00 0.00 41.12 42.91 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 1.04 0.51 3.48 0.44 0.00 0.12 -4.77 105.19 106.01 1n18 n GLY 93 Ca 0.13 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 3.79 -0.26 1.61 1.01 -1.26 -1.84 120.40 121.46 1n18 s VAL 94 Ca 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 1n18 s VAL 94 Cb 0.00 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.75 1n18 s VAL 94 CO 0.00 0.50 -0.03 0.00 0.00 0.00 0.00 175.10 175.56 1n18 s ALA 95 N 0.37 2.77 -0.28 5.51 0.00 0.28 0.02 121.76 130.44 1n18 s ALA 95 Ca -0.05 -1.46 -0.19 0.00 0.00 0.00 0.00 51.96 50.26 1n18 s ALA 95 Cb -0.14 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 1n18 s ALA 95 CO 0.03 -0.84 0.56 -0.51 0.00 0.00 0.00 175.76 175.00 1n18 s ASP 96 N 1.36 6.46 -0.17 0.00 -0.00 -1.26 -1.51 116.67 121.55 1n18 s ASP 96 Ca 0.01 0.47 -0.13 0.00 -0.00 0.00 0.00 52.55 52.89 1n18 s ASP 96 Cb -0.17 -2.30 -0.05 0.00 -0.00 0.00 0.00 42.92 40.40 1n18 s ASP 96 CO -0.03 -0.37 0.27 -0.69 -0.00 0.00 0.00 175.17 174.35 1n18 s VAL 97 N 2.43 5.32 -0.26 -1.27 1.01 0.78 -4.83 120.40 123.57 1n18 s VAL 97 Ca 0.23 0.50 -0.01 0.00 0.00 0.00 0.00 61.98 62.70 1n18 s VAL 97 Cb -0.15 -3.61 0.13 0.00 0.00 0.00 0.00 36.38 32.75 1n18 s VAL 97 CO 0.10 0.39 0.32 -0.55 0.00 0.00 0.00 175.10 175.36 1n18 s SER 98 N 0.49 1.08 0.07 3.32 0.15 -1.25 -0.96 113.70 116.59 1n18 s SER 98 Ca 0.15 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.44 1n18 s SER 98 Cb -0.13 0.73 -0.03 0.00 -1.71 0.00 0.00 66.02 64.88 1n18 s SER 98 CO 0.03 -0.35 -0.06 -0.63 1.20 0.00 0.00 173.24 173.42 1n18 s ILE 99 N 2.43 0.55 -0.04 6.45 1.01 0.25 -5.00 121.20 126.85 1n18 s ILE 99 Ca 0.10 -1.53 0.00 0.00 0.00 0.00 0.00 60.65 59.22 1n18 s ILE 99 Cb -0.14 -1.16 0.03 0.00 0.01 0.00 0.00 42.46 41.19 1n18 s ILE 99 CO -0.25 -0.67 -0.00 -0.70 0.00 0.00 0.00 174.94 173.32 1n18 s GLU 100 N -2.81 0.38 -0.00 2.79 2.12 -1.26 0.43 118.70 120.35 1n18 s GLU 100 Ca 0.01 0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.43 1n18 s GLU 100 Cb -0.01 -0.59 -0.00 0.00 0.26 0.00 0.00 34.13 33.78 1n18 s GLU 100 CO -0.03 -0.16 -0.04 0.34 -0.54 0.00 0.00 175.26 174.83 1n18 s ASP 101 N 1.20 0.46 -0.10 -1.70 -1.08 -0.09 -4.96 116.67 110.39 1n18 s ASP 101 Ca -0.07 -0.10 0.14 0.00 -0.52 0.00 0.00 52.55 52.00 1n18 s ASP 101 Cb -0.13 -0.04 0.40 0.00 -1.46 0.00 0.00 42.92 41.68 1n18 s ASP 101 CO -0.02 0.03 1.31 -1.54 0.52 0.00 0.00 175.17 175.47 1n18 n SER 102 N 2.89 3.30 -0.11 -0.34 3.41 -1.26 0.04 113.62 121.54 1n18 n SER 102 Ca -0.13 -2.59 -0.21 0.00 -0.26 0.00 0.00 58.87 55.68 1n18 n SER 102 Cb 0.58 -0.39 -0.09 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.22 1.26 -2.06 -3.33 0.31 -1.26 -4.93 118.33 108.10 1n18 n VAL 103 Ca 0.16 -0.39 -0.32 0.00 -0.01 0.00 0.00 64.34 63.77 1n18 n VAL 103 Cb 0.66 -1.57 0.01 0.00 -0.91 0.00 0.00 33.84 32.03 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 -2.43 3.97 0.05 2.52 -4.36 -1.26 -5.04 121.20 114.65 1n18 s ILE 104 Ca -0.31 0.90 -0.06 0.00 -0.26 0.00 0.00 60.65 60.92 1n18 s ILE 104 Cb 0.10 -3.45 -0.01 0.00 1.25 0.00 0.00 42.46 40.35 1n18 s ILE 104 CO 0.45 -0.58 0.10 -0.55 0.24 0.00 0.00 174.94 174.61 1n18 s SER 105 N -2.94 0.21 -0.09 4.36 0.15 -1.26 -4.57 113.70 109.55 1n18 s SER 105 Ca 0.62 -0.64 0.19 0.00 0.70 0.00 0.00 55.95 56.82 1n18 s SER 105 Cb -0.15 0.26 0.67 0.00 -1.71 0.00 0.00 66.02 65.09 1n18 s SER 105 CO 0.38 -0.59 1.58 0.18 1.20 0.00 0.00 173.24 175.99 1n18 n LEU 106 N 0.42 4.47 -3.84 3.45 4.77 -1.26 -1.40 117.00 123.61 1n18 n LEU 106 Ca -0.17 -2.36 -0.07 0.00 -0.03 0.00 0.00 56.01 53.38 1n18 n LEU 106 Cb 0.60 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1n18 n LEU 106 CO 0.24 0.84 0.53 -0.94 -1.33 0.00 0.00 177.39 176.72 1n18 s SER 107 N -0.98 -0.19 0.00 -1.43 1.04 -1.26 -1.24 113.70 109.64 1n18 s SER 107 Ca 0.49 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1n18 s SER 107 Cb 0.30 0.72 0.00 0.00 0.10 0.00 0.00 66.02 67.14 1n18 s SER 107 CO 0.25 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.73 1n18 n GLY 108 N -0.48 -0.16 0.42 7.32 0.00 -1.26 -3.85 105.19 107.18 1n18 n GLY 108 Ca -0.05 -1.73 0.21 0.00 0.00 0.00 0.00 46.02 44.46 1n18 n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1n18 h ASP 109 N 0.00 0.00 -0.30 1.61 1.82 -2.01 -0.79 116.42 116.74 1n18 h ASP 109 Ca 0.00 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.46 1n18 h ASP 109 Cb 0.00 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 39.90 1n18 h ASP 109 CO 0.00 0.00 -0.27 1.41 -1.61 0.00 0.00 179.24 178.77 1n18 n HIS 110 N -3.48 0.98 -1.82 0.28 8.25 -1.26 -5.06 115.22 113.11 1n18 n HIS 110 Ca 0.10 -1.69 -0.37 0.00 -0.26 0.00 0.00 57.72 55.51 1n18 n HIS 110 Cb 0.84 -0.43 0.06 0.00 1.12 0.00 0.00 29.99 31.58 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 -2.86 4.77 0.00 0.41 0.15 -0.31 -4.57 113.70 111.29 1n18 s SER 111 Ca 0.44 2.57 0.25 0.00 0.70 0.00 0.00 55.95 59.91 1n18 s SER 111 Cb 0.40 -2.61 0.70 0.00 -1.71 0.00 0.00 66.02 62.79 1n18 s SER 111 CO -0.02 -1.89 1.54 2.30 1.20 0.00 0.00 173.24 176.37 1n18 n ILE 112 N -1.80 0.09 -1.88 6.45 -5.35 -0.49 -4.90 119.36 111.47 1n18 n ILE 112 Ca 0.15 -0.39 -0.42 0.00 -0.27 0.00 0.00 62.75 61.83 1n18 n ILE 112 Cb 0.48 0.79 -0.02 0.00 -1.74 0.00 0.00 39.64 39.15 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 -1.91 2.40 0.00 7.28 -1.09 -1.26 -1.93 121.20 124.69 1n18 s ILE 113 Ca 0.34 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 59.07 1n18 s ILE 113 Cb 0.20 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 1n18 s ILE 113 CO 0.31 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.67 1n18 n GLY 114 N 2.99 0.77 1.96 6.18 0.00 0.47 -5.01 105.19 112.55 1n18 n GLY 114 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.32 0.98 -4.70 1.61 1.74 -0.81 -2.81 116.66 110.34 1n18 n ARG 115 Ca 0.00 -1.70 -0.33 0.00 -0.77 0.00 0.00 57.85 55.05 1n18 n ARG 115 Cb 0.00 0.08 -0.14 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 -1.20 3.25 -0.15 0.55 2.01 -0.95 -0.29 115.64 118.86 1n18 s THR 116 Ca 0.21 -0.60 -0.16 0.00 0.31 0.00 0.00 61.69 61.45 1n18 s THR 116 Cb -0.02 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1n18 s THR 116 CO 0.13 0.52 0.40 -0.22 -0.69 0.00 0.00 174.62 174.76 1n18 s LEU 117 N 0.25 4.24 -0.02 4.42 2.96 -0.48 0.76 118.68 130.80 1n18 s LEU 117 Ca -0.08 0.64 0.05 0.00 -0.22 0.00 0.00 54.13 54.53 1n18 s LEU 117 Cb -0.15 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 1n18 s LEU 117 CO 0.05 0.02 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.24 1n18 s VAL 118 N 0.71 1.37 -0.12 1.68 1.01 0.60 -1.96 120.40 123.69 1n18 s VAL 118 Ca 0.21 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1n18 s VAL 118 Cb -0.14 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1n18 s VAL 118 CO 0.07 0.39 -0.12 0.54 0.00 0.00 0.00 175.10 175.99 1n18 s VAL 119 N -0.24 3.18 0.37 2.92 0.11 -0.67 -1.66 120.40 124.42 1n18 s VAL 119 Ca 0.03 -0.62 0.04 0.00 -2.93 0.00 0.00 61.98 58.49 1n18 s VAL 119 Cb -0.08 -2.33 -0.01 0.00 -1.53 0.00 0.00 36.38 32.42 1n18 s VAL 119 CO 0.00 0.53 0.54 -1.00 -3.33 0.00 0.00 175.10 171.84 1n18 s HIS 120 N 0.22 3.21 0.03 1.54 3.76 0.99 -1.92 115.29 123.12 1n18 s HIS 120 Ca -0.07 0.01 -0.26 0.00 -0.15 0.00 0.00 55.06 54.58 1n18 s HIS 120 Cb -0.15 -2.07 -0.17 0.00 1.11 0.00 0.00 32.58 31.30 1n18 s HIS 120 CO 0.05 -0.09 1.43 1.49 -0.85 0.00 0.00 174.74 176.76 1n18 h GLU 121 N 0.72 -0.34 -6.08 1.40 4.81 -1.07 -3.37 114.58 110.65 1n18 h GLU 121 Ca -0.47 0.02 -0.57 0.00 -0.13 0.00 0.00 59.36 58.22 1n18 h GLU 121 Cb 1.25 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 1n18 h GLU 121 CO 0.56 -0.08 -0.24 0.15 -0.73 0.00 0.00 179.01 178.66 1n18 s LYS 122 N -5.22 2.24 0.41 1.92 1.02 0.46 -4.88 119.74 115.69 1n18 s LYS 122 Ca -0.15 -1.98 -0.22 0.00 0.02 0.00 0.00 55.97 53.65 1n18 s LYS 122 Cb 0.03 -2.20 -0.11 0.00 -0.52 0.00 0.00 37.83 35.03 1n18 s LYS 122 CO 0.60 -0.73 0.94 0.00 -0.92 0.00 0.00 175.35 175.25 1n18 s ALA 123 N -2.78 3.08 -0.23 5.17 0.00 -1.22 -1.40 121.76 124.38 1n18 s ALA 123 Ca 0.39 0.41 -0.24 0.00 0.00 0.00 0.00 51.96 52.52 1n18 s ALA 123 Cb -0.03 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 1n18 s ALA 123 CO 0.25 0.14 0.78 0.34 0.00 0.00 0.00 175.76 177.27 1n18 s ASP 124 N -2.09 6.80 0.00 0.00 3.68 -1.26 -3.91 116.67 119.89 1n18 s ASP 124 Ca 0.60 0.99 0.00 0.00 2.13 0.00 0.00 52.55 56.27 1n18 s ASP 124 Cb -0.11 -2.42 0.00 0.00 -1.45 0.00 0.00 42.92 38.95 1n18 s ASP 124 CO 0.15 -0.45 0.82 -0.90 0.13 0.00 0.00 175.17 174.91 1n18 n ASP 125 N 5.75 0.36 -2.45 -0.34 3.85 -0.02 -4.85 116.55 118.85 1n18 n ASP 125 Ca 0.04 -2.00 -0.11 0.00 -0.71 0.00 0.00 54.79 52.01 1n18 n ASP 125 Cb 0.48 -0.18 -0.01 0.00 -1.35 0.00 0.00 41.12 40.06 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 -0.32 -1.05 -0.72 -2.12 4.77 -1.26 -1.60 117.00 114.70 1n18 n LEU 126 Ca 0.00 0.22 -0.07 0.00 -0.03 0.00 0.00 56.01 56.13 1n18 n LEU 126 Cb 0.09 -2.05 -0.01 0.00 -2.33 0.00 0.00 43.42 39.12 1n18 n LEU 126 CO 0.00 -0.12 -0.08 0.61 -1.33 0.00 0.00 177.39 176.47 1n18 n GLY 127 N -0.78 0.38 0.18 -0.72 0.00 -1.24 -3.27 105.19 99.74 1n18 n GLY 127 Ca -0.13 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.08 2.07 0.27 1.61 4.76 -0.62 -4.72 118.16 119.45 1n18 n LYS 128 Ca -0.08 -1.42 0.17 0.00 -2.87 0.00 0.00 58.31 54.11 1n18 n LYS 128 Cb 0.45 -1.08 0.92 0.00 -1.84 0.00 0.00 35.03 33.48 1n18 n LYS 128 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1n18 h GLY 129 N 0.63 0.00 0.00 0.72 0.00 -1.88 -3.45 103.07 99.08 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 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1n18 n GLY 130 N -1.18 1.64 3.59 4.60 0.00 -1.26 -5.00 105.19 107.57 1n18 n GLY 130 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.27 4.01 0.34 1.61 2.20 -1.26 -5.04 114.94 113.54 1n18 s ASN 131 Ca 0.00 -1.03 0.04 0.00 -0.94 0.00 0.00 52.86 50.93 1n18 s ASN 131 Cb 0.00 -0.48 0.66 0.00 -2.00 0.00 0.00 41.25 39.43 1n18 s ASN 131 CO 0.00 -0.18 1.94 -0.08 -2.94 0.00 0.00 177.10 175.85 1n18 h GLU 132 N 1.93 0.84 -0.05 3.55 4.81 -2.00 -1.08 114.58 122.58 1n18 h GLU 132 Ca -0.42 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 1n18 h GLU 132 Cb 1.25 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1n18 h GLU 132 CO 0.66 0.55 -0.18 1.49 -0.73 0.00 0.00 179.01 180.81 1n18 h GLU 133 N 0.86 0.07 -0.17 1.92 4.57 -2.00 -2.28 114.58 117.55 1n18 h GLU 133 Ca 0.34 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.43 1n18 h GLU 133 Cb 0.23 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1n18 h GLU 133 CO -0.12 0.25 -0.22 1.03 -1.18 0.00 0.00 179.01 178.78 1n18 h SER 134 N 0.07 0.30 -0.05 1.04 0.87 -1.54 -0.61 113.55 113.62 1n18 h SER 134 Ca 0.01 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1n18 h SER 134 Cb 0.36 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1n18 h SER 134 CO 0.02 0.53 0.00 0.35 -0.53 0.00 0.00 176.83 177.20 1n18 n THR 135 N -4.18 0.06 -0.00 2.23 -2.24 -0.86 -2.30 114.28 106.98 1n18 n THR 135 Ca -0.01 -0.13 -0.04 0.00 -2.27 0.00 0.00 64.05 61.60 1n18 n THR 135 Cb 0.35 -0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.40 0.13 -0.00 -0.78 5.02 -0.85 -1.31 118.16 119.98 1n18 n LYS 136 Ca 0.17 0.06 0.01 0.00 -2.02 0.00 0.00 58.31 56.52 1n18 n LYS 136 Cb 0.18 -0.73 -0.01 0.00 -0.02 0.00 0.00 35.03 34.46 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 -3.55 0.00 -1.32 -0.18 -2.24 -0.30 -4.67 114.28 102.02 1n18 n THR 137 Ca -0.07 -0.29 -0.04 0.00 -2.27 0.00 0.00 64.05 61.38 1n18 n THR 137 Cb 0.32 0.78 -0.01 0.00 -2.10 0.00 0.00 70.33 69.32 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 1.61 0.60 3.91 3.38 0.00 -0.97 -3.55 105.19 110.17 1n18 n GLY 138 Ca 0.00 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 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 1.28 -4.63 0.00 1.61 3.02 -1.25 -0.84 115.26 114.45 1n18 n ASN 139 Ca -0.04 -0.78 0.14 0.00 -0.03 0.00 0.00 54.58 53.87 1n18 n ASN 139 Cb 0.22 -3.71 0.70 0.00 -0.61 0.00 0.00 39.78 36.38 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 -4.56 2.38 -0.12 5.41 0.00 -1.23 -4.58 120.51 117.80 1n18 n ALA 140 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1n18 n ALA 140 Cb 0.52 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.12 -1.09 3.68 0.00 0.00 -1.26 -0.41 105.19 107.23 1n18 n GLY 141 Ca 0.13 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 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 3.04 -0.45 1.61 1.04 -1.26 -4.67 113.70 109.01 1n18 s SER 142 Ca 0.00 1.58 -0.17 0.00 0.48 0.00 0.00 55.95 57.83 1n18 s SER 142 Cb 0.00 -2.24 0.04 0.00 0.10 0.00 0.00 66.02 63.92 1n18 s SER 142 CO 0.00 -2.93 0.48 -0.13 0.98 0.00 0.00 173.24 171.64 1n18 s ARG 143 N -4.83 3.08 0.08 4.02 0.52 -1.26 -1.13 118.95 119.43 1n18 s ARG 143 Ca 0.65 -0.88 -0.10 0.00 -0.52 0.00 0.00 55.73 54.88 1n18 s ARG 143 Cb -0.20 -4.03 -0.23 0.00 0.52 0.00 0.00 34.95 31.02 1n18 s ARG 143 CO 0.58 -0.97 1.17 -0.07 0.02 0.00 0.00 175.30 176.03 1n18 h LEU 144 N 9.17 0.69 -7.17 2.53 3.38 -1.69 -3.47 115.31 118.75 1n18 h LEU 144 Ca -0.27 -0.63 -0.06 0.00 0.09 0.00 0.00 57.88 57.01 1n18 h LEU 144 Cb 1.11 -0.22 -0.17 0.00 0.09 0.00 0.00 40.66 41.47 1n18 h LEU 144 CO 0.85 1.45 0.06 0.00 0.09 0.00 0.00 178.44 180.88 1n18 s ALA 145 N -3.02 -1.41 0.22 1.53 0.00 -1.20 -4.05 121.76 113.83 1n18 s ALA 145 Ca -0.07 0.77 -0.22 0.00 0.00 0.00 0.00 51.96 52.43 1n18 s ALA 145 Cb 0.07 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.50 1n18 s ALA 145 CO 0.90 -0.46 0.71 0.00 0.00 0.00 0.00 175.76 176.92 1n18 s GLY 147 N -2.86 -0.52 0.19 0.00 0.00 -0.83 -1.45 107.32 101.85 1n18 s GLY 147 Ca 0.08 1.52 -0.30 0.00 0.00 0.00 0.00 44.72 46.02 1n18 s GLY 147 CO 0.00 1.07 1.12 0.14 0.00 0.00 0.00 173.10 175.44 1n18 s VAL 148 N -0.98 3.77 -0.46 1.40 1.01 -1.26 -1.38 120.40 122.50 1n18 s VAL 148 Ca -0.08 1.54 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 1n18 s VAL 148 Cb -0.01 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.41 1n18 s VAL 148 CO 0.08 0.27 1.17 -0.63 0.00 0.00 0.00 175.10 175.99 1n18 s ILE 149 N -0.29 4.19 0.19 2.22 1.01 0.61 -4.48 121.20 124.65 1n18 s ILE 149 Ca 0.50 1.23 0.08 0.00 0.00 0.00 0.00 60.65 62.45 1n18 s ILE 149 Cb -0.30 -4.54 -0.04 0.00 0.01 0.00 0.00 42.46 37.58 1n18 s ILE 149 CO 0.36 -0.94 -0.02 -0.83 0.00 0.00 0.00 174.94 173.51 1n18 s GLY 150 N 2.58 1.71 0.26 6.18 0.00 -0.10 -0.39 107.32 117.55 1n18 s GLY 150 Ca 0.49 -1.44 -0.30 0.00 0.00 0.00 0.00 44.72 43.47 1n18 s GLY 150 CO 0.31 -1.47 1.43 -0.42 0.00 0.00 0.00 173.10 172.94 1n18 s ILE 151 N -1.84 2.65 0.27 0.90 1.01 -1.26 -0.55 121.20 122.38 1n18 s ILE 151 Ca 0.28 0.56 0.11 0.00 0.00 0.00 0.00 60.65 61.60 1n18 s ILE 151 Cb -0.09 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 1n18 s ILE 151 CO 0.18 0.10 -0.19 0.00 0.00 0.00 0.00 174.94 175.02 1n18 s ALA 152 N -0.16 2.64 -2.00 9.38 0.00 -0.66 -4.78 121.76 126.19 1n18 s ALA 152 Ca 0.58 -1.84 0.20 0.00 0.00 0.00 0.00 51.96 50.90 1n18 s ALA 152 Cb -0.42 -0.24 1.19 0.00 0.00 0.00 0.00 23.12 23.65 1n18 s ALA 152 CO 0.45 0.26 1.58 0.94 0.00 0.00 0.00 175.76 178.99