#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgl s PHE 5 N 0.00 -0.05 -0.11 -1.84 -0.12 -1.26 -4.84 117.98 109.76 1sgl s PHE 5 Ca 0.00 -0.23 0.07 0.00 -0.05 0.00 0.00 56.93 56.72 1sgl s PHE 5 Cb 0.00 0.10 -0.11 0.00 -0.63 0.00 0.00 43.02 42.37 1sgl s PHE 5 CO 0.00 -0.57 -0.01 -0.25 -0.05 0.00 0.00 175.22 174.33 1sgl n ASP 6 N 0.14 2.61 -4.38 1.98 8.00 -1.26 -5.03 116.55 118.61 1sgl n ASP 6 Ca -0.17 -0.02 -0.19 0.00 0.71 0.00 0.00 54.79 55.12 1sgl n ASP 6 Cb 0.62 0.45 -0.10 0.00 -0.02 0.00 0.00 41.12 42.06 1sgl n ASP 6 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1sgl s TYR 7 N -2.26 1.79 0.08 1.24 1.51 -1.26 -3.35 117.35 115.10 1sgl s TYR 7 Ca -0.09 -0.67 0.05 0.00 -1.01 0.00 0.00 57.07 55.34 1sgl s TYR 7 Cb 0.04 -0.95 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 1sgl s TYR 7 CO 0.39 0.27 -0.03 -0.06 -1.11 0.00 0.00 175.55 175.01 1sgl s PHE 8 N -3.05 2.93 -0.11 2.71 0.40 0.11 -0.20 117.98 120.77 1sgl s PHE 8 Ca 0.26 -0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.58 1sgl s PHE 8 Cb 0.02 -1.53 0.00 0.00 0.51 0.00 0.00 43.02 42.02 1sgl s PHE 8 CO 0.09 0.45 -0.22 0.42 0.70 0.00 0.00 175.22 176.66 1sgl s ILE 9 N -1.23 1.97 -0.37 0.64 1.01 0.42 -0.97 121.20 122.67 1sgl s ILE 9 Ca 0.23 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 1sgl s ILE 9 Cb -0.11 -1.72 0.04 0.00 0.01 0.00 0.00 42.46 40.67 1sgl s ILE 9 CO 0.15 0.54 0.17 -0.22 0.00 0.00 0.00 174.94 175.59 1sgl s LEU 10 N 0.47 4.62 -0.17 2.97 2.96 0.13 -1.29 118.68 128.37 1sgl s LEU 10 Ca -0.16 -1.11 -0.17 0.00 -0.22 0.00 0.00 54.13 52.47 1sgl s LEU 10 Cb -0.17 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1sgl s LEU 10 CO 0.06 -0.38 0.44 0.00 -1.32 0.00 0.00 176.35 175.15 1sgl s ALA 11 N 1.48 3.53 0.06 5.97 0.00 -0.12 -1.38 121.76 131.30 1sgl s ALA 11 Ca 0.01 -0.38 0.09 0.00 0.00 0.00 0.00 51.96 51.67 1sgl s ALA 11 Cb -0.20 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 1sgl s ALA 11 CO 0.05 -0.21 -0.23 -0.51 0.00 0.00 0.00 175.76 174.86 1sgl s LEU 12 N 1.10 2.36 0.00 0.00 1.43 -0.03 -0.80 118.68 122.74 1sgl s LEU 12 Ca 0.22 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 52.82 1sgl s LEU 12 Cb -0.15 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1sgl s LEU 12 CO 0.09 0.24 -0.20 -1.10 0.23 0.00 0.00 176.35 175.61 1sgl s GLN 13 N -1.50 2.16 -0.38 1.70 -0.21 0.28 -1.07 119.66 120.65 1sgl s GLN 13 Ca 0.13 -0.91 -0.25 0.00 0.02 0.00 0.00 55.36 54.35 1sgl s GLN 13 Cb -0.10 -2.18 0.02 0.00 1.00 0.00 0.00 33.01 31.74 1sgl s GLN 13 CO 0.04 0.56 0.91 -0.46 -2.12 0.00 0.00 175.29 174.22 1sgl s TRP 14 N -0.79 3.06 0.28 0.91 -0.11 -0.36 -0.96 118.94 120.97 1sgl s TRP 14 Ca 0.12 0.70 0.02 0.00 1.22 0.00 0.00 56.10 58.16 1sgl s TRP 14 Cb -0.10 -3.65 0.60 0.00 -1.50 0.00 0.00 33.47 28.82 1sgl s TRP 14 CO 0.02 -0.85 1.78 0.00 -4.62 0.00 0.00 176.95 173.29 1sgl h ALA 15 N 8.55 1.45 -0.88 5.86 0.00 -1.72 -1.99 119.26 130.52 1sgl h ALA 15 Ca -0.23 0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1sgl h ALA 15 Cb 1.08 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1sgl h ALA 15 CO 0.98 -0.01 0.57 0.78 0.00 0.00 0.00 179.25 181.57 1sgl h GLY 16 N 0.75 1.27 1.68 0.00 0.00 -1.83 -1.60 103.07 103.34 1sgl h GLY 16 Ca 0.51 -0.40 -0.27 0.00 0.00 0.00 0.00 47.33 47.17 1sgl h GLY 16 CO -0.35 0.29 -1.21 -0.84 0.00 0.00 0.00 176.54 174.44 1sgl h THR 17 N 1.00 1.53 0.00 4.70 2.02 -1.60 -2.70 112.91 117.86 1sgl h THR 17 Ca 0.38 -3.12 0.00 0.00 0.77 0.00 0.00 66.41 64.44 1sgl h THR 17 Cb 0.20 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 1sgl h THR 17 CO -0.14 0.91 0.00 0.28 0.37 0.00 0.00 175.52 176.94 1sgl h SER 18 N 0.06 0.00 -0.02 4.18 0.02 -1.11 -3.13 113.55 113.55 1sgl h SER 18 Ca -0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1sgl h SER 18 Cb 1.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.49 1sgl h SER 18 CO 0.19 0.00 -0.00 0.00 -1.14 0.00 0.00 176.83 175.88 1sgl n ARG 20 N 0.92 0.05 -1.91 0.00 1.85 -1.02 -3.00 116.66 113.56 1sgl n ARG 20 Ca 0.10 0.29 -0.39 0.00 -1.00 0.00 0.00 57.85 56.85 1sgl n ARG 20 Cb 0.41 -1.59 0.04 0.00 -1.05 0.00 0.00 32.46 30.27 1sgl n ARG 20 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1sgl n SER 21 N -1.69 7.38 0.00 2.89 2.88 -1.26 -5.02 113.62 118.81 1sgl n SER 21 Ca 0.03 -3.83 0.00 0.00 -1.33 0.00 0.00 58.87 53.74 1sgl n SER 21 Cb 0.19 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 1sgl n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sgl n GLY 22 N -0.57 2.00 0.00 0.46 0.00 -1.16 -4.96 105.19 100.96 1sgl n GLY 22 Ca 0.54 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1sgl n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgl n GLY 23 N 0.00 1.39 3.78 -0.02 0.00 -1.26 -4.93 105.19 104.15 1sgl n GLY 23 Ca 0.00 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.57 1sgl n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sgl s ALA 24 N -1.69 3.59 0.06 4.61 0.00 -1.26 -5.07 121.76 122.01 1sgl s ALA 24 Ca 0.00 -0.75 -0.31 0.00 0.00 0.00 0.00 51.96 50.90 1sgl s ALA 24 Cb 0.00 -1.70 -0.07 0.00 0.00 0.00 0.00 23.12 21.35 1sgl s ALA 24 CO 0.00 0.62 1.38 0.00 0.00 0.00 0.00 175.76 177.76 1sgl n PRO 27 N -0.35 1.94 -0.79 0.00 -0.02 -1.26 -2.41 135.00 132.11 1sgl n PRO 27 Ca 0.01 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1sgl n PRO 27 Cb 0.66 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1sgl n PRO 27 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1sgl n TYR 28 N -0.02 0.00 -2.35 6.00 4.02 -1.26 -4.97 117.16 118.58 1sgl n TYR 28 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.53 1sgl n TYR 28 Cb 0.38 -0.85 -0.03 0.00 -0.02 0.00 0.00 39.34 38.82 1sgl n TYR 28 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1sgl s ASN 29 N -2.38 7.01 0.00 7.72 2.47 -1.01 -1.43 114.94 127.32 1sgl s ASN 29 Ca 0.00 2.11 0.31 0.00 0.42 0.00 0.00 52.86 55.69 1sgl s ASN 29 Cb 0.00 -2.58 1.58 0.00 -1.45 0.00 0.00 41.25 38.80 1sgl s ASN 29 CO 0.00 -0.52 2.08 0.61 -3.72 0.00 0.00 177.10 175.55 1sgl n GLY 30 N 3.28 -1.20 0.41 1.21 0.00 0.35 -3.41 105.19 105.82 1sgl n GLY 30 Ca 0.10 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.09 1sgl n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sgl n LYS 33 N 4.20 0.00 0.00 0.00 3.00 -1.26 -4.87 118.16 119.22 1sgl n LYS 33 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 1sgl n LYS 33 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.54 1sgl n LYS 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sgl n ALA 34 N 0.00 0.00 -3.86 3.14 0.00 -1.26 -4.23 120.51 114.29 1sgl n ALA 34 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1sgl n ALA 34 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 1sgl n ALA 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sgl s ASP 35 N -4.00 2.73 0.03 0.00 -0.00 -1.26 -5.11 116.67 109.05 1sgl s ASP 35 Ca 0.00 -0.63 -0.14 0.00 -0.00 0.00 0.00 52.55 51.78 1sgl s ASP 35 Cb 0.00 -0.84 0.02 0.00 -0.00 0.00 0.00 42.92 42.10 1sgl s ASP 35 CO 0.00 -0.20 0.30 -0.55 -0.00 0.00 0.00 175.17 174.73 1sgl s SER 36 N 1.68 -0.14 0.56 0.27 0.15 -1.26 -5.16 113.70 109.81 1sgl s SER 36 Ca 0.01 -0.12 -0.19 0.00 0.70 0.00 0.00 55.95 56.35 1sgl s SER 36 Cb -0.15 0.35 -0.05 0.00 -1.71 0.00 0.00 66.02 64.45 1sgl s SER 36 CO -0.07 -0.57 1.13 -2.16 1.20 0.00 0.00 173.24 172.76 1sgl s PRO 37 N -2.24 3.27 0.15 5.44 0.04 -1.26 -4.99 135.00 135.42 1sgl s PRO 37 Ca -0.07 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.24 1sgl s PRO 37 Cb -0.02 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 1sgl s PRO 37 CO -0.01 -0.91 1.15 0.99 0.04 0.00 0.00 177.00 178.26 1sgl s THR 38 N -1.86 3.83 0.30 1.26 2.01 -1.26 -5.02 115.64 114.90 1sgl s THR 38 Ca 0.72 1.51 -0.05 0.00 0.31 0.00 0.00 61.69 64.17 1sgl s THR 38 Cb -0.23 -3.96 -0.00 0.00 0.01 0.00 0.00 72.50 68.31 1sgl s THR 38 CO 0.29 0.22 0.44 -1.10 -0.69 0.00 0.00 174.62 173.79 1sgl s GLN 39 N -0.04 1.74 0.03 4.92 -0.21 -1.26 -4.71 119.66 120.13 1sgl s GLN 39 Ca 0.52 -1.60 -0.27 0.00 0.02 0.00 0.00 55.36 54.03 1sgl s GLN 39 Cb -0.30 0.43 -0.05 0.00 1.00 0.00 0.00 33.01 34.10 1sgl s GLN 39 CO 0.34 -0.71 0.86 -0.06 -2.12 0.00 0.00 175.29 173.60 1sgl s PHE 40 N -3.44 3.71 0.32 0.91 0.40 -1.26 -1.92 117.98 116.71 1sgl s PHE 40 Ca 0.29 1.58 0.08 0.00 -0.60 0.00 0.00 56.93 58.28 1sgl s PHE 40 Cb 0.00 -2.96 -0.06 0.00 0.51 0.00 0.00 43.02 40.51 1sgl s PHE 40 CO 0.16 0.15 -0.08 0.95 0.70 0.00 0.00 175.22 177.11 1sgl s THR 41 N 0.37 2.01 0.07 0.64 -4.23 -0.13 -4.91 115.64 109.46 1sgl s THR 41 Ca 0.44 -2.17 -0.30 0.00 -1.18 0.00 0.00 61.69 58.48 1sgl s THR 41 Cb -0.21 -2.60 -0.05 0.00 1.34 0.00 0.00 72.50 70.98 1sgl s THR 41 CO 0.25 -0.22 1.10 -0.63 -0.54 0.00 0.00 174.62 174.58 1sgl s ILE 42 N -2.76 4.25 -0.25 2.99 1.01 -0.08 -0.55 121.20 125.81 1sgl s ILE 42 Ca 0.32 1.70 -0.05 0.00 0.00 0.00 0.00 60.65 62.62 1sgl s ILE 42 Cb 0.03 -4.09 -0.14 0.00 0.01 0.00 0.00 42.46 38.28 1sgl s ILE 42 CO 0.15 0.18 -0.27 1.57 0.00 0.00 0.00 174.94 176.57 1sgl n HIS 43 N 3.49 0.00 0.00 3.97 -0.00 0.02 -4.60 115.22 118.10 1sgl n HIS 43 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 1sgl n HIS 43 Cb 0.48 -0.92 0.00 0.00 -0.00 0.00 0.00 29.99 29.55 1sgl n HIS 43 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1sgl n GLY 44 N 1.92 1.64 3.46 1.57 0.00 -1.12 -4.95 105.19 107.71 1sgl n GLY 44 Ca -0.46 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 1sgl n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sgl s LEU 45 N 0.00 2.77 0.06 0.99 2.96 -1.26 -0.95 118.68 123.25 1sgl s LEU 45 Ca 0.00 -0.21 -0.19 0.00 -0.22 0.00 0.00 54.13 53.51 1sgl s LEU 45 Cb 0.00 -1.58 0.04 0.00 0.50 0.00 0.00 46.19 45.15 1sgl s LEU 45 CO 0.00 0.31 0.45 0.00 -1.32 0.00 0.00 176.35 175.78 1sgl s ARG 46 N -0.49 0.99 0.31 1.98 1.70 -0.41 -4.54 118.95 118.49 1sgl s ARG 46 Ca 0.06 -0.38 -0.29 0.00 -0.47 0.00 0.00 55.73 54.66 1sgl s ARG 46 Cb -0.12 0.44 -0.10 0.00 -0.57 0.00 0.00 34.95 34.61 1sgl s ARG 46 CO 0.02 -0.36 1.15 -2.14 -1.08 0.00 0.00 175.30 172.89 1sgl s PRO 47 N -2.71 4.49 -0.48 3.89 0.02 -1.26 -0.44 135.00 138.52 1sgl s PRO 47 Ca -0.04 1.89 -0.22 0.00 0.02 0.00 0.00 61.00 62.65 1sgl s PRO 47 Cb -0.00 -3.08 0.03 0.00 0.02 0.00 0.00 34.50 31.47 1sgl s PRO 47 CO -0.04 0.05 0.76 -2.00 -0.33 0.00 0.00 177.00 175.44 1sgl s GLU 48 N -1.66 3.31 -0.14 5.54 2.12 0.71 -4.83 118.70 123.75 1sgl s GLU 48 Ca 0.47 -0.34 -0.06 0.00 0.36 0.00 0.00 54.97 55.41 1sgl s GLU 48 Cb -0.33 -3.99 -0.04 0.00 0.26 0.00 0.00 34.13 30.03 1sgl s GLU 48 CO 0.43 -1.19 0.05 0.71 -0.54 0.00 0.00 175.26 174.72 1sgl s TYR 49 N 3.20 3.27 -0.22 5.30 1.51 -1.26 -4.43 117.35 124.73 1sgl s TYR 49 Ca 0.26 0.15 0.23 0.00 -1.01 0.00 0.00 57.07 56.70 1sgl s TYR 49 Cb -0.14 -1.97 0.50 0.00 -0.11 0.00 0.00 41.96 40.23 1sgl s TYR 49 CO 0.19 0.32 1.12 0.43 -1.11 0.00 0.00 175.55 176.50 1sgl n SER 50 N 2.92 1.52 -3.20 2.29 7.64 -1.26 -4.96 113.62 118.57 1sgl n SER 50 Ca -0.18 -2.05 -0.23 0.00 1.01 0.00 0.00 58.87 57.43 1sgl n SER 50 Cb 0.53 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 63.23 1sgl n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sgl n GLY 51 N -0.41 3.64 5.00 0.23 0.00 -1.26 -4.99 105.19 107.40 1sgl n GLY 51 Ca 0.07 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1sgl n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgl n GLY 52 N 0.80 0.69 3.82 -0.02 0.00 -1.26 -4.81 105.19 104.40 1sgl n GLY 52 Ca 0.25 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 1sgl n GLY 52 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sgl s GLU 53 N 0.00 4.04 -0.38 1.61 2.12 -1.26 -5.04 118.70 119.79 1sgl s GLU 53 Ca 0.00 0.50 0.02 0.00 0.36 0.00 0.00 54.97 55.85 1sgl s GLU 53 Cb 0.00 -3.25 0.15 0.00 0.26 0.00 0.00 34.13 31.29 1sgl s GLU 53 CO 0.00 0.61 0.27 1.03 -0.54 0.00 0.00 175.26 176.63 1sgl s ARG 54 N -0.88 0.70 0.65 4.30 0.52 -1.26 -4.62 118.95 118.36 1sgl s ARG 54 Ca 0.25 -1.66 -0.17 0.00 -0.52 0.00 0.00 55.73 53.63 1sgl s ARG 54 Cb -0.17 -1.34 -0.07 0.00 0.52 0.00 0.00 34.95 33.89 1sgl s ARG 54 CO 0.14 -1.29 0.50 -2.30 0.02 0.00 0.00 175.30 172.38 1sgl n PRO 55 N 3.53 0.40 -3.62 3.54 -0.02 -1.26 -5.06 135.00 132.51 1sgl n PRO 55 Ca 0.20 0.17 -0.15 0.00 -2.02 0.00 0.00 63.50 61.69 1sgl n PRO 55 Cb 0.42 -1.74 -0.07 0.00 -0.02 0.00 0.00 33.50 32.08 1sgl n PRO 55 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sgl s SER 56 N -1.31 -0.58 -0.41 2.55 1.04 -1.26 -4.97 113.70 108.76 1sgl s SER 56 Ca 0.67 0.85 -0.15 0.00 0.48 0.00 0.00 55.95 57.80 1sgl s SER 56 Cb -0.40 0.82 0.02 0.00 0.10 0.00 0.00 66.02 66.56 1sgl s SER 56 CO 0.57 -0.41 0.52 0.00 0.98 0.00 0.00 173.24 174.89 1sgl n THR 59 N -0.44 0.00 -2.21 0.00 5.66 -1.26 -4.91 114.28 111.12 1sgl n THR 59 Ca 0.08 -0.15 -0.19 0.00 -3.05 0.00 0.00 64.05 60.74 1sgl n THR 59 Cb 0.43 0.70 -0.03 0.00 -1.55 0.00 0.00 70.33 69.88 1sgl n THR 59 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1sgl n GLY 60 N 0.77 0.04 3.68 1.09 0.00 -1.26 -4.93 105.19 104.57 1sgl n GLY 60 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1sgl n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sgl s GLY 61 N -2.18 2.12 0.07 -0.02 0.00 -1.26 -5.04 107.32 101.01 1sgl s GLY 61 Ca 0.00 -0.45 -0.31 0.00 0.00 0.00 0.00 44.72 43.96 1sgl s GLY 61 CO 0.00 0.87 1.71 -0.56 0.00 0.00 0.00 173.10 175.12 1sgl s SER 62 N 1.01 6.56 0.11 1.64 0.01 -1.26 -4.91 113.70 116.86 1sgl s SER 62 Ca 0.21 2.53 -0.31 0.00 1.31 0.00 0.00 55.95 59.69 1sgl s SER 62 Cb -0.15 -2.56 -0.10 0.00 0.21 0.00 0.00 66.02 63.43 1sgl s SER 62 CO 0.09 -0.92 1.75 0.12 0.41 0.00 0.00 173.24 174.68 1sgl s PHE 63 N 2.88 2.31 -0.40 2.43 5.36 -1.26 -4.97 117.98 124.33 1sgl s PHE 63 Ca 0.76 0.15 -0.07 0.00 -0.96 0.00 0.00 56.93 56.81 1sgl s PHE 63 Cb -0.41 -4.08 0.08 0.00 -0.34 0.00 0.00 43.02 38.27 1sgl s PHE 63 CO 0.33 -4.40 0.21 0.34 -1.46 0.00 0.00 175.22 170.24 1sgl s ASP 64 N 2.50 5.46 0.58 6.13 -1.08 -1.26 -4.97 116.67 124.02 1sgl s ASP 64 Ca 0.78 -1.55 0.28 0.00 -0.52 0.00 0.00 52.55 51.54 1sgl s ASP 64 Cb -0.44 -1.92 1.53 0.00 -1.46 0.00 0.00 42.92 40.64 1sgl s ASP 64 CO 0.34 -0.49 1.98 -0.65 0.52 0.00 0.00 175.17 176.88 1sgl h PRO 65 N 8.28 0.00 -0.51 4.34 0.11 -2.04 -2.40 132.00 139.78 1sgl h PRO 65 Ca -0.21 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.95 1sgl h PRO 65 Cb 1.07 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1sgl h PRO 65 CO 0.71 0.00 0.34 -0.44 -0.21 0.00 0.00 178.00 178.40 1sgl h ASP 66 N 0.00 0.45 0.00 -2.05 3.32 -2.02 -2.32 116.42 113.79 1sgl h ASP 66 Ca 0.17 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1sgl h ASP 66 Cb 0.90 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1sgl h ASP 66 CO -0.00 0.30 0.00 -0.62 -1.72 0.00 0.00 179.24 177.20 1sgl n GLU 67 N -4.47 0.72 -0.01 3.56 1.02 -0.90 -3.07 120.64 117.49 1sgl n GLU 67 Ca 0.06 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.17 1sgl n GLU 67 Cb 0.19 -1.31 -0.12 0.00 -0.02 0.00 0.00 31.44 30.18 1sgl n GLU 67 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1sgl n ILE 68 N -0.81 1.28 0.00 -3.67 5.41 -0.87 -4.40 119.36 116.29 1sgl n ILE 68 Ca 0.11 -0.74 0.00 0.00 1.00 0.00 0.00 62.75 63.12 1sgl n ILE 68 Cb 0.05 -0.75 0.00 0.00 -0.71 0.00 0.00 39.64 38.23 1sgl n ILE 68 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 1sgl n MET 69 N -2.88 0.00 0.00 0.38 1.56 -1.17 0.54 117.12 115.54 1sgl n MET 69 Ca -0.15 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.28 1sgl n MET 69 Cb 0.94 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.31 1sgl n MET 69 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1sgl n PRO 70 N -2.29 0.29 0.00 2.12 -0.04 -1.26 -2.53 135.00 131.29 1sgl n PRO 70 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1sgl n PRO 70 Cb 0.00 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1sgl n PRO 70 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1sgl n PHE 71 N -0.47 0.00 -0.28 0.54 0.99 0.19 -4.91 117.46 113.51 1sgl n PHE 71 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.44 1sgl n PHE 71 Cb 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 39.48 38.54 1sgl n PHE 71 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.76 177.11 1sgl h PHE 72 N 0.00 -0.76 -0.64 1.38 3.57 -1.43 0.38 116.94 119.44 1sgl h PHE 72 Ca 0.00 0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1sgl h PHE 72 Cb 0.09 0.45 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1sgl h PHE 72 CO 0.00 -0.38 0.43 0.78 -2.23 0.00 0.00 178.31 176.91 1sgl h GLY 73 N -0.05 0.90 1.38 2.40 0.00 -1.91 -1.68 103.07 104.11 1sgl h GLY 73 Ca 0.33 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 1sgl h GLY 73 CO -0.83 0.33 -0.24 0.50 0.00 0.00 0.00 176.54 176.30 1sgl h LYS 74 N 0.87 0.71 -0.48 4.80 1.57 -1.60 -2.65 116.57 119.79 1sgl h LYS 74 Ca 0.24 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1sgl h LYS 74 Cb -0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1sgl h LYS 74 CO -0.05 0.89 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.61 1sgl h LEU 75 N 0.62 0.86 -1.13 2.94 3.38 -0.62 0.21 115.31 121.58 1sgl h LEU 75 Ca 0.09 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1sgl h LEU 75 Cb 0.73 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1sgl h LEU 75 CO 0.06 0.98 0.06 0.58 0.09 0.00 0.00 178.44 180.21 1sgl h VAL 76 N 0.72 1.21 0.14 1.22 2.07 -1.25 0.45 116.25 120.82 1sgl h VAL 76 Ca 0.13 -0.80 -0.26 0.00 0.82 0.00 0.00 66.70 66.59 1sgl h VAL 76 Cb 0.56 0.81 0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1sgl h VAL 76 CO 0.03 0.29 -1.27 -0.08 0.02 0.00 0.00 177.57 176.56 1sgl h GLU 77 N 0.65 0.29 0.00 1.57 4.81 -1.29 -3.37 114.58 117.25 1sgl h GLU 77 Ca 0.14 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1sgl h GLU 77 Cb 0.31 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1sgl h GLU 77 CO 0.00 1.24 -1.08 0.66 -0.73 0.00 0.00 179.01 179.10 1sgl n TYR 78 N -3.95 0.00 -2.55 0.92 4.02 0.73 -4.58 117.16 111.76 1sgl n TYR 78 Ca -0.21 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.53 1sgl n TYR 78 Cb 0.91 -0.07 0.02 0.00 -0.02 0.00 0.00 39.34 40.18 1sgl n TYR 78 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1sgl n TRP 79 N -1.58 2.10 -1.27 -0.72 -0.00 0.16 -0.90 117.44 115.23 1sgl n TRP 79 Ca 0.03 -2.71 -0.29 0.00 -0.00 0.00 0.00 57.50 54.53 1sgl n TRP 79 Cb 0.34 -0.26 0.18 0.00 -0.00 0.00 0.00 31.31 31.57 1sgl n TRP 79 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1sgl s PRO 80 N -3.43 0.28 0.25 5.87 0.04 -1.20 -4.74 135.00 132.07 1sgl s PRO 80 Ca 0.37 0.31 0.07 0.00 0.04 0.00 0.00 61.00 61.79 1sgl s PRO 80 Cb 0.41 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 33.18 1sgl s PRO 80 CO -0.05 -2.79 0.20 -0.08 0.04 0.00 0.00 177.00 174.33 1sgl s THR 81 N -3.09 4.45 -0.10 1.26 -1.32 -0.52 -4.82 115.64 111.50 1sgl s THR 81 Ca 0.66 -1.40 0.12 0.00 -1.21 0.00 0.00 61.69 59.86 1sgl s THR 81 Cb -0.16 -3.41 0.19 0.00 -1.51 0.00 0.00 72.50 67.62 1sgl s THR 81 CO 0.56 -0.35 1.11 -1.22 -2.21 0.00 0.00 174.62 172.51 1sgl n TYR 82 N -1.18 0.05 -4.36 9.09 4.01 -1.26 -0.50 117.16 123.01 1sgl n TYR 82 Ca -0.08 -0.80 -0.20 0.00 -0.16 0.00 0.00 57.90 56.67 1sgl n TYR 82 Cb 0.58 -0.12 -0.10 0.00 -0.31 0.00 0.00 39.34 39.39 1sgl n TYR 82 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1sgl s ARG 83 N -2.14 1.35 0.00 -0.72 0.52 -1.26 -4.97 118.95 111.73 1sgl s ARG 83 Ca 0.20 -1.58 0.19 0.00 -0.52 0.00 0.00 55.73 54.03 1sgl s ARG 83 Cb 0.18 -1.22 0.24 0.00 0.52 0.00 0.00 34.95 34.66 1sgl s ARG 83 CO 0.02 0.21 1.18 0.00 0.02 0.00 0.00 175.30 176.74 1sgl s ALA 85 N -1.47 3.49 0.66 0.00 0.00 -1.26 -4.99 121.76 118.19 1sgl s ALA 85 Ca 0.26 -1.61 -0.13 0.00 0.00 0.00 0.00 51.96 50.48 1sgl s ALA 85 Cb 0.17 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 1sgl s ALA 85 CO 0.25 0.17 1.06 -0.51 0.00 0.00 0.00 175.76 176.73 1sgl s LEU 86 N -3.82 3.28 0.02 0.00 1.43 -1.26 -4.98 118.68 113.34 1sgl s LEU 86 Ca 0.35 1.72 -0.16 0.00 -1.03 0.00 0.00 54.13 55.01 1sgl s LEU 86 Cb -0.06 -4.51 -0.06 0.00 0.03 0.00 0.00 46.19 41.59 1sgl s LEU 86 CO 0.23 -1.38 0.47 -1.61 0.23 0.00 0.00 176.35 174.29 1sgl s GLU 87 N -4.61 4.04 -0.06 1.70 0.41 0.29 -4.79 118.70 115.68 1sgl s GLU 87 Ca 0.61 0.52 -0.30 0.00 -0.41 0.00 0.00 54.97 55.39 1sgl s GLU 87 Cb -0.15 -3.24 -0.06 0.00 -1.78 0.00 0.00 34.13 28.90 1sgl s GLU 87 CO 0.47 0.64 1.69 -1.14 -0.49 0.00 0.00 175.26 176.44 1sgl s GLN 88 N -0.99 4.12 0.00 1.61 2.00 -1.26 -0.96 119.66 124.18 1sgl s GLN 88 Ca 0.26 2.17 0.00 0.00 -2.00 0.00 0.00 55.36 55.79 1sgl s GLN 88 Cb -0.18 -4.01 0.00 0.00 0.80 0.00 0.00 33.01 29.62 1sgl s GLN 88 CO 0.15 -0.92 0.00 0.45 -0.50 0.00 0.00 175.29 174.47 1sgl n SER 89 N 7.39 1.36 -4.76 6.67 2.88 0.15 -4.93 113.62 122.38 1sgl n SER 89 Ca 0.18 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.31 1sgl n SER 89 Cb 0.43 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.86 1sgl n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sgl n ASN 91 N 1.05 -4.93 -1.18 0.00 5.03 -1.26 -2.23 115.26 111.73 1sgl n ASN 91 Ca -0.00 -0.44 -0.12 0.00 0.87 0.00 0.00 54.58 54.89 1sgl n ASN 91 Cb 0.43 -4.12 -0.05 0.00 -1.02 0.00 0.00 39.78 35.02 1sgl n ASN 91 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1sgl n ASN 92 N -2.19 -3.79 -4.72 6.41 3.02 -1.24 -4.90 115.26 107.85 1sgl n ASN 92 Ca -0.03 0.29 -0.40 0.00 -0.03 0.00 0.00 54.58 54.41 1sgl n ASN 92 Cb 0.56 -3.31 -0.04 0.00 -0.61 0.00 0.00 39.78 36.38 1sgl n ASN 92 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1sgl s ARG 93 N -2.90 4.48 0.31 3.52 0.52 -0.95 -4.87 118.95 119.07 1sgl s ARG 93 Ca 0.00 1.06 -0.27 0.00 -0.52 0.00 0.00 55.73 56.00 1sgl s ARG 93 Cb 0.00 -3.44 -0.10 0.00 0.52 0.00 0.00 34.95 31.93 1sgl s ARG 93 CO 0.00 0.06 0.97 0.15 0.02 0.00 0.00 175.30 176.50 1sgl s LYS 94 N 0.76 4.62 0.14 3.54 -0.14 -1.26 -0.67 119.74 126.72 1sgl s LYS 94 Ca 0.42 1.43 -0.15 0.00 -1.36 0.00 0.00 55.97 56.32 1sgl s LYS 94 Cb -0.19 -2.93 0.02 0.00 -1.68 0.00 0.00 37.83 33.05 1sgl s LYS 94 CO 0.22 0.29 0.39 -1.21 -0.76 0.00 0.00 175.35 174.27 1sgl s GLU 95 N -1.82 1.11 0.47 1.68 0.41 -0.13 -4.88 118.70 115.53 1sgl s GLU 95 Ca 0.48 -0.81 -0.15 0.00 -0.41 0.00 0.00 54.97 54.07 1sgl s GLU 95 Cb -0.22 0.45 -0.08 0.00 -1.78 0.00 0.00 34.13 32.51 1sgl s GLU 95 CO 0.28 -0.43 0.92 0.96 -0.49 0.00 0.00 175.26 176.50 1sgl s ILE 96 N -3.84 4.59 0.19 -1.63 -4.36 -1.26 0.11 121.20 115.00 1sgl s ILE 96 Ca 0.06 1.08 -0.18 0.00 -0.26 0.00 0.00 60.65 61.35 1sgl s ILE 96 Cb 0.02 -3.71 0.16 0.00 1.25 0.00 0.00 42.46 40.18 1sgl s ILE 96 CO -0.09 -0.60 1.37 -0.11 0.24 0.00 0.00 174.94 175.75 1sgl n LEU 97 N -1.40 -0.64 -0.33 0.37 7.94 -1.26 -0.08 117.00 121.60 1sgl n LEU 97 Ca 0.05 1.55 0.07 0.00 -1.11 0.00 0.00 56.01 56.57 1sgl n LEU 97 Cb 0.54 -0.33 0.23 0.00 0.53 0.00 0.00 43.42 44.39 1sgl n LEU 97 CO 0.46 -1.37 1.19 -0.50 -1.11 0.00 0.00 177.39 176.05 1sgl h TRP 98 N 0.00 1.01 -0.07 1.96 6.55 -1.93 -0.14 115.95 123.33 1sgl h TRP 98 Ca 0.28 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 60.13 1sgl h TRP 98 Cb 0.50 -0.31 -0.00 0.00 -0.86 0.00 0.00 29.16 28.49 1sgl h TRP 98 CO -0.80 0.36 -0.03 0.78 -1.05 0.00 0.00 178.44 177.70 1sgl h GLY 99 N 0.86 0.16 0.82 1.49 0.00 -0.85 -2.10 103.07 103.45 1sgl h GLY 99 Ca 0.48 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.70 1sgl h GLY 99 CO -0.29 0.12 0.30 -1.61 0.00 0.00 0.00 176.54 175.06 1sgl h GLN 100 N -0.22 0.57 -0.64 4.80 4.15 -0.65 -0.50 115.11 122.63 1sgl h GLN 100 Ca 0.02 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1sgl h GLN 100 Cb 0.45 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 1sgl h GLN 100 CO 0.01 0.38 0.31 1.96 -1.93 0.00 0.00 178.83 179.55 1sgl h GLN 101 N 0.59 0.93 -0.06 1.69 1.08 -1.05 0.36 115.11 118.65 1sgl h GLN 101 Ca 0.22 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 1sgl h GLN 101 Cb 0.06 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.33 1sgl h GLN 101 CO -0.12 0.74 0.01 -0.92 -0.95 0.00 0.00 178.83 177.60 1sgl h TYR 102 N 0.89 0.10 -0.20 2.96 3.20 -0.95 -1.05 116.97 121.91 1sgl h TYR 102 Ca 0.22 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 1sgl h TYR 102 Cb 0.12 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1sgl h TYR 102 CO 0.00 0.30 -0.10 0.93 -1.64 0.00 0.00 178.16 177.66 1sgl h GLU 103 N -0.12 0.42 -0.14 1.82 5.08 -1.01 -0.58 114.58 120.04 1sgl h GLU 103 Ca 0.02 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 1sgl h GLU 103 Cb 0.25 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1sgl h GLU 103 CO 0.00 0.71 -0.54 -0.22 -1.00 0.00 0.00 179.01 177.96 1sgl h LYS 104 N 0.12 0.41 0.00 2.33 3.64 -0.99 -3.19 116.57 118.88 1sgl h LYS 104 Ca 0.04 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1sgl h LYS 104 Cb 0.58 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1sgl h LYS 104 CO 0.03 0.85 -0.90 0.72 -2.27 0.00 0.00 179.45 177.88 1sgl n HIS 105 N -3.94 0.00 -0.12 1.91 8.25 -0.44 -1.48 115.22 119.40 1sgl n HIS 105 Ca -0.03 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.53 1sgl n HIS 105 Cb 0.59 0.02 0.43 0.00 1.12 0.00 0.00 29.99 32.15 1sgl n HIS 105 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1sgl h GLY 106 N 0.00 0.75 1.89 -1.41 0.00 -0.73 -1.03 103.07 102.54 1sgl h GLY 106 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 1sgl h GLY 106 CO 0.00 0.15 -0.30 -0.91 0.00 0.00 0.00 176.54 175.48 1sgl h THR 107 N 0.56 1.25 -0.01 4.70 1.35 -1.47 -2.14 112.91 117.14 1sgl h THR 107 Ca 0.29 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1sgl h THR 107 Cb 0.39 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1sgl h THR 107 CO -0.09 0.35 0.00 0.00 -0.25 0.00 0.00 175.52 175.53 1sgl n ALA 109 N -0.72 3.34 -1.77 0.00 0.00 -0.80 -4.90 120.51 115.66 1sgl n ALA 109 Ca 0.19 -0.58 -0.37 0.00 0.00 0.00 0.00 53.44 52.69 1sgl n ALA 109 Cb 0.13 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1sgl n ALA 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sgl s SER 110 N -2.44 5.91 0.00 0.00 0.15 -1.19 -1.56 113.70 114.57 1sgl s SER 110 Ca 0.21 2.33 0.16 0.00 0.70 0.00 0.00 55.95 59.36 1sgl s SER 110 Cb 0.19 -2.60 0.50 0.00 -1.71 0.00 0.00 66.02 62.39 1sgl s SER 110 CO 0.54 -1.10 1.40 -0.81 1.20 0.00 0.00 173.24 174.46 1sgl n PRO 111 N -0.79 1.95 -0.22 5.44 -0.04 -1.26 -4.85 135.00 135.23 1sgl n PRO 111 Ca 0.09 -1.46 -0.08 0.00 -0.04 0.00 0.00 63.50 62.01 1sgl n PRO 111 Cb 0.48 -1.37 0.05 0.00 -0.04 0.00 0.00 33.50 32.62 1sgl n PRO 111 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1sgl h VAL 112 N 2.57 1.26 -3.10 0.52 2.07 -1.70 -3.39 116.25 114.48 1sgl h VAL 112 Ca 0.00 -1.08 -0.64 0.00 0.82 0.00 0.00 66.70 65.80 1sgl h VAL 112 Cb 0.58 0.69 -0.35 0.00 -1.52 0.00 0.00 31.29 30.69 1sgl h VAL 112 CO 0.00 0.40 -0.85 -0.63 0.02 0.00 0.00 177.57 176.51 1sgl s ILE 113 N -5.13 1.86 -0.33 4.57 1.01 -0.79 -5.10 121.20 117.29 1sgl s ILE 113 Ca -0.12 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 1sgl s ILE 113 Cb 0.14 -1.70 0.07 0.00 0.01 0.00 0.00 42.46 40.98 1sgl s ILE 113 CO 0.85 0.51 0.05 -0.54 0.00 0.00 0.00 174.94 175.81 1sgl s LYS 114 N 1.30 2.22 0.00 2.79 1.02 -1.26 -3.16 119.74 122.65 1sgl s LYS 114 Ca 0.03 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 54.56 1sgl s LYS 114 Cb -0.13 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 1sgl s LYS 114 CO -0.11 -0.76 0.00 0.41 -0.92 0.00 0.00 175.35 173.97 1sgl n GLY 115 N 4.57 -0.36 0.45 -3.33 0.00 -1.26 -4.44 105.19 100.81 1sgl n GLY 115 Ca -0.09 -1.65 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 1sgl n GLY 115 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sgl h GLU 116 N 0.00 -0.57 -0.56 1.61 5.08 -1.96 -2.20 114.58 115.99 1sgl h GLU 116 Ca 0.00 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1sgl h GLU 116 Cb 0.00 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.28 1sgl h GLU 116 CO 0.00 -0.38 -0.46 2.35 -1.00 0.00 0.00 179.01 179.52 1sgl h TRP 117 N -0.59 -1.37 -0.24 4.33 7.01 -1.87 -0.08 115.95 123.15 1sgl h TRP 117 Ca 0.04 0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 1sgl h TRP 117 Cb 0.68 0.68 -0.01 0.00 -2.10 0.00 0.00 29.16 28.40 1sgl h TRP 117 CO -0.52 -0.43 0.06 -0.97 -2.79 0.00 0.00 178.44 173.78 1sgl h ASN 118 N -0.25 0.30 0.21 2.65 -1.24 -1.75 0.24 115.58 115.74 1sgl h ASN 118 Ca 0.16 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 1sgl h ASN 118 Cb 0.57 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.54 1sgl h ASN 118 CO -0.68 0.31 -0.10 0.22 -1.29 0.00 0.00 177.43 175.89 1sgl h TYR 119 N 0.33 -0.26 -0.40 0.67 3.20 -0.40 0.20 116.97 120.32 1sgl h TYR 119 Ca 0.08 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.82 1sgl h TYR 119 Cb 0.13 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1sgl h TYR 119 CO 0.00 -0.00 -0.27 0.74 -1.64 0.00 0.00 178.16 176.99 1sgl h PHE 120 N -0.50 0.97 -0.13 -3.82 0.04 -1.10 -1.32 116.94 111.08 1sgl h PHE 120 Ca -0.03 -0.24 -0.00 0.00 2.80 0.00 0.00 57.97 60.50 1sgl h PHE 120 Cb 0.38 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1sgl h PHE 120 CO -0.00 1.01 0.08 -0.22 -0.60 0.00 0.00 178.31 178.58 1sgl h LYS 121 N 0.72 0.18 -0.45 1.51 3.64 -0.92 -1.12 116.57 120.12 1sgl h LYS 121 Ca 0.09 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1sgl h LYS 121 Cb 0.81 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1sgl h LYS 121 CO 0.07 0.16 0.01 -0.22 -2.27 0.00 0.00 179.45 177.20 1sgl h LYS 122 N 0.15 0.80 -0.60 1.90 1.63 -0.89 -1.25 116.57 118.30 1sgl h LYS 122 Ca 0.05 -0.25 -0.01 0.00 -0.85 0.00 0.00 60.65 59.58 1sgl h LYS 122 Cb 0.03 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.55 1sgl h LYS 122 CO -0.01 0.85 0.32 1.15 -3.45 0.00 0.00 179.45 178.31 1sgl h THR 123 N 0.64 1.20 -0.42 1.00 2.02 -1.12 -1.69 112.91 114.54 1sgl h THR 123 Ca 0.13 -0.52 -0.13 0.00 0.77 0.00 0.00 66.41 66.65 1sgl h THR 123 Cb 0.49 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1sgl h THR 123 CO 0.02 0.22 -0.27 -0.07 0.37 0.00 0.00 175.52 175.80 1sgl h LEU 124 N 0.82 0.93 -0.40 2.58 3.38 -1.12 -2.35 115.31 119.15 1sgl h LEU 124 Ca 0.21 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1sgl h LEU 124 Cb 0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1sgl h LEU 124 CO -0.03 1.14 0.25 0.11 0.09 0.00 0.00 178.44 179.99 1sgl h LYS 125 N 0.77 0.54 -0.76 1.13 1.57 -1.00 -1.56 116.57 117.26 1sgl h LYS 125 Ca 0.09 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1sgl h LYS 125 Cb 0.83 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 1sgl h LYS 125 CO 0.07 0.40 0.31 -0.07 -0.57 0.00 0.00 179.45 179.59 1sgl h LEU 126 N 0.53 1.04 -0.54 2.94 3.38 -1.25 0.88 115.31 122.30 1sgl h LEU 126 Ca 0.14 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1sgl h LEU 126 Cb -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1sgl h LEU 126 CO -0.03 0.93 0.27 0.15 0.09 0.00 0.00 178.44 179.85 1sgl h PHE 127 N 1.10 0.76 -0.04 1.13 3.57 -1.11 -1.73 116.94 120.62 1sgl h PHE 127 Ca 0.25 -0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.47 1sgl h PHE 127 Cb 0.20 -0.24 0.02 0.00 2.79 0.00 0.00 35.95 38.72 1sgl h PHE 127 CO 0.02 0.58 -0.97 0.52 -2.23 0.00 0.00 178.31 176.23 1sgl h MET 128 N 0.72 0.70 -0.42 1.11 2.86 -1.07 -3.04 114.93 115.79 1sgl h MET 128 Ca 0.19 -0.70 -0.14 0.00 -2.06 0.00 0.00 59.70 56.98 1sgl h MET 128 Cb 0.09 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1sgl h MET 128 CO -0.03 1.29 -0.30 -0.22 1.06 0.00 0.00 176.91 178.71 1sgl h LYS 129 N 0.42 0.95 -2.33 1.72 3.64 -0.80 -3.26 116.57 116.91 1sgl h LYS 129 Ca -0.11 -0.46 -0.66 0.00 -1.27 0.00 0.00 60.65 58.16 1sgl h LYS 129 Cb 1.61 -0.01 -0.38 0.00 -0.41 0.00 0.00 32.23 33.05 1sgl h LYS 129 CO 0.19 1.12 -0.18 0.66 -2.27 0.00 0.00 179.45 178.97 1sgl n TYR 130 N -4.10 3.52 -2.33 1.91 4.02 -0.66 -5.04 117.16 114.48 1sgl n TYR 130 Ca -0.01 -3.64 -0.42 0.00 -0.01 0.00 0.00 57.90 53.82 1sgl n TYR 130 Cb 0.50 -0.72 -0.02 0.00 -0.02 0.00 0.00 39.34 39.08 1sgl n TYR 130 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1sgl s ASN 131 N -2.63 6.13 0.29 7.72 3.84 -1.15 -4.79 114.94 124.35 1sgl s ASN 131 Ca 0.43 0.54 0.05 0.00 0.21 0.00 0.00 52.86 54.08 1sgl s ASN 131 Cb 0.20 -2.54 0.45 0.00 -0.55 0.00 0.00 41.25 38.81 1sgl s ASN 131 CO -0.07 -1.65 1.72 -0.37 -2.79 0.00 0.00 177.10 173.93 1sgl h VAL 132 N 6.47 1.28 -0.59 -5.21 -1.51 -1.95 -2.75 116.25 111.99 1sgl h VAL 132 Ca -0.27 -1.38 0.01 0.00 -1.23 0.00 0.00 66.70 63.83 1sgl h VAL 132 Cb 1.11 1.52 -0.03 0.00 -2.13 0.00 0.00 31.29 31.76 1sgl h VAL 132 CO 1.14 0.42 0.39 0.44 -1.23 0.00 0.00 177.57 178.73 1sgl h ASP 133 N 0.30 0.66 -0.70 4.19 3.32 -1.91 -1.16 116.42 121.13 1sgl h ASP 133 Ca 0.04 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1sgl h ASP 133 Cb 0.74 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1sgl h ASP 133 CO 0.06 0.48 0.18 0.50 -1.72 0.00 0.00 179.24 178.74 1sgl h LYS 134 N 0.79 1.11 0.03 3.56 1.63 -1.95 -1.28 116.57 120.46 1sgl h LYS 134 Ca 0.22 -0.26 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1sgl h LYS 134 Cb -0.08 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.40 1sgl h LYS 134 CO -0.05 0.97 -0.02 0.00 -3.45 0.00 0.00 179.45 176.91 1sgl h ALA 135 N 1.13 -0.04 -0.44 5.00 0.00 -1.14 -1.24 119.26 122.53 1sgl h ALA 135 Ca 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1sgl h ALA 135 Cb 0.35 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1sgl h ALA 135 CO -0.00 -0.49 0.22 -0.07 0.00 0.00 0.00 179.25 178.91 1sgl h LEU 136 N -0.10 0.56 -0.87 0.00 3.38 -1.08 -2.34 115.31 114.86 1sgl h LEU 136 Ca -0.00 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1sgl h LEU 136 Cb 0.09 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1sgl h LEU 136 CO 0.01 0.52 0.57 -0.33 0.09 0.00 0.00 178.44 179.29 1sgl h GLU 137 N 0.57 1.08 -0.44 1.13 3.07 -1.15 0.86 114.58 119.70 1sgl h GLU 137 Ca 0.15 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.94 1sgl h GLU 137 Cb 0.09 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 1sgl h GLU 137 CO -0.02 0.71 0.24 -0.44 -1.40 0.00 0.00 179.01 178.10 1sgl h ASP 138 N 1.11 0.53 0.63 1.42 5.19 -0.84 -1.34 116.42 123.12 1sgl h ASP 138 Ca 0.34 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 1sgl h ASP 138 Cb -0.03 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.35 1sgl h ASP 138 CO -0.11 0.44 -0.15 0.00 -3.12 0.00 0.00 179.24 176.30 1sgl n ALA 139 N -2.47 2.77 -0.55 3.45 0.00 -0.74 -4.91 120.51 118.06 1sgl n ALA 139 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1sgl n ALA 139 Cb 0.10 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1sgl n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sgl n GLY 140 N 1.41 0.67 3.44 0.00 0.00 -0.51 -5.03 105.19 105.17 1sgl n GLY 140 Ca 0.10 -0.47 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 1sgl n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sgl s ILE 141 N -2.00 5.14 0.15 -0.61 1.01 0.22 -5.00 121.20 120.11 1sgl s ILE 141 Ca 0.00 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.01 1sgl s ILE 141 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1sgl s ILE 141 CO 0.00 -0.52 -0.10 0.68 0.00 0.00 0.00 174.94 174.99 1sgl s VAL 142 N 1.96 1.19 0.26 2.92 -7.23 -1.26 -3.70 120.40 114.54 1sgl s VAL 142 Ca 0.08 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 57.90 1sgl s VAL 142 Cb -0.20 -1.84 -0.14 0.00 0.56 0.00 0.00 36.38 34.76 1sgl s VAL 142 CO 0.10 -0.73 1.25 0.00 -0.31 0.00 0.00 175.10 175.41 1sgl n ALA 143 N -0.17 0.50 -3.63 1.32 0.00 -1.26 -4.90 120.51 112.37 1sgl n ALA 143 Ca -0.10 0.41 -0.12 0.00 0.00 0.00 0.00 53.44 53.62 1sgl n ALA 143 Cb 0.60 -2.17 -0.07 0.00 0.00 0.00 0.00 19.45 17.82 1sgl n ALA 143 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sgl s SER 144 N -0.07 -0.64 0.00 0.00 0.15 0.87 -4.84 113.70 109.16 1sgl s SER 144 Ca 0.64 1.24 0.22 0.00 0.70 0.00 0.00 55.95 58.75 1sgl s SER 144 Cb -0.68 1.25 -0.09 0.00 -1.71 0.00 0.00 66.02 64.79 1sgl s SER 144 CO 0.55 -0.21 1.00 0.59 1.20 0.00 0.00 173.24 176.36 1sgl n ASN 145 N 2.52 0.98 -0.01 5.45 3.02 -1.26 -3.74 115.26 122.22 1sgl n ASN 145 Ca -0.13 -0.91 0.06 0.00 -0.03 0.00 0.00 54.58 53.57 1sgl n ASN 145 Cb 0.55 0.85 -0.10 0.00 -0.61 0.00 0.00 39.78 40.47 1sgl n ASN 145 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1sgl n SER 146 N -1.41 1.92 -4.41 6.41 3.41 -1.26 -5.01 113.62 113.27 1sgl n SER 146 Ca 0.05 -0.07 -0.30 0.00 -0.26 0.00 0.00 58.87 58.28 1sgl n SER 146 Cb 0.34 1.54 -0.13 0.00 -0.26 0.00 0.00 64.21 65.69 1sgl n SER 146 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1sgl s LYS 147 N -2.83 1.95 0.25 4.33 -2.85 -1.26 -5.13 119.74 114.19 1sgl s LYS 147 Ca -0.04 -1.04 0.07 0.00 -1.00 0.00 0.00 55.97 53.96 1sgl s LYS 147 Cb 0.08 -2.10 -0.03 0.00 -2.06 0.00 0.00 37.83 33.72 1sgl s LYS 147 CO 0.53 0.53 0.23 -1.64 0.10 0.00 0.00 175.35 175.10 1sgl s MET 148 N -1.37 3.03 0.11 1.78 -1.94 -1.26 -4.60 119.30 115.05 1sgl s MET 148 Ca 0.13 -0.99 0.09 0.00 -1.71 0.00 0.00 55.69 53.21 1sgl s MET 148 Cb -0.10 -2.63 -0.04 0.00 2.01 0.00 0.00 34.83 34.07 1sgl s MET 148 CO 0.04 0.41 -0.23 0.71 -0.01 0.00 0.00 175.02 175.94 1sgl s TYR 149 N -2.10 1.95 0.04 -0.03 1.51 0.20 -4.89 117.35 114.03 1sgl s TYR 149 Ca 0.33 -0.41 -0.31 0.00 -1.01 0.00 0.00 57.07 55.68 1sgl s TYR 149 Cb -0.08 -1.07 -0.06 0.00 -0.11 0.00 0.00 41.96 40.64 1sgl s TYR 149 CO 0.26 0.25 1.38 0.34 -1.11 0.00 0.00 175.55 176.66 1sgl s ASP 150 N -1.95 6.86 0.23 2.29 -1.08 -1.26 -0.45 116.67 121.31 1sgl s ASP 150 Ca 0.09 2.17 -0.08 0.00 -0.52 0.00 0.00 52.55 54.21 1sgl s ASP 150 Cb -0.10 -2.57 0.37 0.00 -1.46 0.00 0.00 42.92 39.17 1sgl s ASP 150 CO 0.05 -0.68 1.68 0.25 0.52 0.00 0.00 175.17 176.99 1sgl h LEU 151 N 7.77 -0.09 -1.30 -1.34 5.85 -1.08 -1.21 115.31 123.91 1sgl h LEU 151 Ca -0.39 0.14 0.16 0.00 0.84 0.00 0.00 57.88 58.63 1sgl h LEU 151 Cb 1.19 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.36 1sgl h LEU 151 CO 0.88 -0.06 0.58 0.50 -0.34 0.00 0.00 178.44 180.01 1sgl h LYS 152 N 0.22 0.63 -0.87 1.25 1.63 -1.90 -1.31 116.57 116.22 1sgl h LYS 152 Ca 0.37 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.10 1sgl h LYS 152 Cb 0.60 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.05 1sgl h LYS 152 CO -0.50 0.42 0.43 -0.44 -3.45 0.00 0.00 179.45 175.91 1sgl h ASP 153 N 0.65 1.12 -0.15 4.20 5.19 -1.60 -0.99 116.42 124.84 1sgl h ASP 153 Ca 0.47 -0.13 -0.07 0.00 -0.62 0.00 0.00 57.03 56.68 1sgl h ASP 153 Cb 0.83 -0.29 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 1sgl h ASP 153 CO -0.22 0.94 -0.18 0.40 -3.12 0.00 0.00 179.24 177.05 1sgl h ILE 154 N 1.23 1.35 -0.44 0.35 2.04 -1.25 -2.33 117.51 118.46 1sgl h ILE 154 Ca 0.30 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 1sgl h ILE 154 Cb 0.10 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1sgl h ILE 154 CO -0.04 0.41 0.28 0.58 0.00 0.00 0.00 178.15 179.37 1sgl h VAL 155 N 0.01 1.13 -0.57 1.67 2.07 -1.25 -2.17 116.25 117.15 1sgl h VAL 155 Ca 0.02 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1sgl h VAL 155 Cb 0.73 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1sgl h VAL 155 CO 0.04 0.13 0.23 0.58 0.02 0.00 0.00 177.57 178.58 1sgl h VAL 156 N 0.59 1.20 -0.17 2.57 2.07 -1.21 -0.68 116.25 120.63 1sgl h VAL 156 Ca 0.16 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1sgl h VAL 156 Cb -0.02 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1sgl h VAL 156 CO -0.03 0.25 0.06 0.00 0.02 0.00 0.00 177.57 177.87 1sgl h ALA 157 N 1.45 0.22 -0.15 1.67 0.00 -0.99 -0.57 119.26 120.90 1sgl h ALA 157 Ca 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1sgl h ALA 157 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1sgl h ALA 157 CO -0.02 -0.17 0.00 0.28 0.00 0.00 0.00 179.25 179.34 1sgl h VAL 158 N 0.11 1.25 -0.68 0.00 2.07 -1.10 -1.94 116.25 115.96 1sgl h VAL 158 Ca 0.06 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1sgl h VAL 158 Cb 0.21 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1sgl h VAL 158 CO -0.00 0.24 0.44 -0.33 0.02 0.00 0.00 177.57 177.94 1sgl h GLU 159 N -0.00 0.90 -0.49 1.57 5.08 -1.13 0.31 114.58 120.83 1sgl h GLU 159 Ca 0.04 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1sgl h GLU 159 Cb 0.37 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1sgl h GLU 159 CO 0.01 0.61 0.08 0.77 -1.00 0.00 0.00 179.01 179.48 1sgl h SER 160 N 0.93 0.71 0.26 1.42 0.02 -1.04 0.36 113.55 116.20 1sgl h SER 160 Ca 0.25 -0.14 -0.34 0.00 -0.84 0.00 0.00 61.79 60.72 1sgl h SER 160 Cb -0.09 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.27 1sgl h SER 160 CO -0.05 0.73 -1.68 0.00 -1.14 0.00 0.00 176.83 174.68 1sgl h ALA 161 N 1.36 0.16 0.00 3.77 0.00 -0.93 -3.38 119.26 120.23 1sgl h ALA 161 Ca 0.16 -1.11 -0.22 0.00 0.00 0.00 0.00 54.91 53.73 1sgl h ALA 161 Cb 0.33 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1sgl h ALA 161 CO 0.00 1.02 -1.71 0.28 0.00 0.00 0.00 179.25 178.85 1sgl n VAL 162 N -3.57 1.23 -0.55 0.00 0.31 0.11 -4.99 118.33 110.86 1sgl n VAL 162 Ca -0.22 -0.73 0.00 0.00 -0.01 0.00 0.00 64.34 63.38 1sgl n VAL 162 Cb 1.07 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 1sgl n VAL 162 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sgl n GLY 163 N 1.49 0.71 3.40 2.92 0.00 0.13 -4.86 105.19 108.97 1sgl n GLY 163 Ca -0.15 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 1sgl n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sgl s ALA 164 N -2.00 -1.36 -0.00 4.61 0.00 -1.23 -4.87 121.76 116.90 1sgl s ALA 164 Ca 0.00 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 1sgl s ALA 164 Cb 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 1sgl s ALA 164 CO 0.00 -0.33 1.33 0.50 0.00 0.00 0.00 175.76 177.26 1sgl s ARG 165 N -1.27 4.32 0.73 0.00 3.52 -1.26 -4.05 118.95 120.93 1sgl s ARG 165 Ca -0.12 1.87 -0.04 0.00 -0.13 0.00 0.00 55.73 57.31 1sgl s ARG 165 Cb -0.02 -3.53 0.11 0.00 -1.56 0.00 0.00 34.95 29.95 1sgl s ARG 165 CO 0.07 -0.51 1.02 -1.25 -0.81 0.00 0.00 175.30 173.83 1sgl s PRO 166 N 2.18 1.74 -0.20 5.12 0.04 -1.26 -0.99 135.00 141.63 1sgl s PRO 166 Ca 0.61 -0.79 -0.01 0.00 0.04 0.00 0.00 61.00 60.85 1sgl s PRO 166 Cb -0.30 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 32.01 1sgl s PRO 166 CO 0.26 -1.45 -0.13 0.21 0.04 0.00 0.00 177.00 175.92 1sgl s LYS 167 N -5.23 3.15 -0.04 4.56 2.20 -0.42 -4.75 119.74 119.21 1sgl s LYS 167 Ca 0.65 -0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 55.50 1sgl s LYS 167 Cb -0.07 -2.77 -0.04 0.00 -1.51 0.00 0.00 37.83 33.45 1sgl s LYS 167 CO 0.45 -0.21 0.05 -0.51 -0.36 0.00 0.00 175.35 174.77 1sgl s LEU 168 N 1.37 3.79 -0.06 5.43 2.01 -1.26 -0.95 118.68 129.01 1sgl s LEU 168 Ca 0.05 0.16 0.01 0.00 0.01 0.00 0.00 54.13 54.36 1sgl s LEU 168 Cb -0.14 -2.06 0.02 0.00 0.01 0.00 0.00 46.19 44.02 1sgl s LEU 168 CO -0.09 0.32 -0.05 -0.60 1.01 0.00 0.00 176.35 176.95 1sgl s ARG 169 N -1.35 0.92 0.27 1.70 3.52 -0.60 -4.56 118.95 118.84 1sgl s ARG 169 Ca 0.18 -0.11 0.11 0.00 -0.13 0.00 0.00 55.73 55.78 1sgl s ARG 169 Cb -0.12 -0.96 -0.05 0.00 -1.56 0.00 0.00 34.95 32.26 1sgl s ARG 169 CO 0.08 -0.12 -0.11 0.00 -0.81 0.00 0.00 175.30 174.34 1sgl n ASP 171 N -0.72 0.19 0.00 0.00 5.68 0.36 -4.83 116.55 117.23 1sgl n ASP 171 Ca -0.06 -1.28 0.12 0.00 -0.50 0.00 0.00 54.79 53.08 1sgl n ASP 171 Cb 0.59 -0.38 0.57 0.00 -1.14 0.00 0.00 41.12 40.76 1sgl n ASP 171 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1sgl n GLU 172 N -2.06 0.10 -0.19 0.11 1.02 -1.26 -2.73 120.64 115.63 1sgl n GLU 172 Ca 0.07 0.06 0.11 0.00 -0.02 0.00 0.00 57.16 57.38 1sgl n GLU 172 Cb 0.24 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.42 1sgl n GLU 172 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1sgl n GLU 173 N -1.44 2.31 -0.71 3.49 4.71 -1.26 -4.94 120.64 122.81 1sgl n GLU 173 Ca 0.08 -1.99 0.00 0.00 -0.01 0.00 0.00 57.16 55.24 1sgl n GLU 173 Cb 0.27 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 1sgl n GLU 173 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sgl n GLY 174 N 1.41 0.57 3.79 0.62 0.00 -1.10 -4.96 105.19 105.52 1sgl n GLY 174 Ca 0.19 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 1sgl n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sgl s LEU 175 N 0.00 4.38 0.02 0.99 1.02 -1.26 -2.02 118.68 121.81 1sgl s LEU 175 Ca 0.00 0.79 -0.30 0.00 0.02 0.00 0.00 54.13 54.64 1sgl s LEU 175 Cb 0.00 -2.52 -0.06 0.00 0.02 0.00 0.00 46.19 43.63 1sgl s LEU 175 CO 0.00 0.22 1.39 -0.69 0.02 0.00 0.00 176.35 177.29 1sgl s VAL 176 N -0.39 3.66 -0.20 -1.59 1.01 -0.99 -0.49 120.40 121.41 1sgl s VAL 176 Ca 0.22 1.08 -0.07 0.00 0.00 0.00 0.00 61.98 63.21 1sgl s VAL 176 Cb -0.15 -3.69 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 1sgl s VAL 176 CO 0.10 0.01 -0.23 0.00 0.00 0.00 0.00 175.10 174.98 1sgl n GLN 177 N 5.11 0.43 -4.03 2.72 6.02 0.44 -4.61 117.38 123.46 1sgl n GLN 177 Ca 0.13 0.17 -0.08 0.00 -0.01 0.00 0.00 57.00 57.20 1sgl n GLN 177 Cb 0.44 -1.25 -0.10 0.00 1.02 0.00 0.00 30.24 30.34 1sgl n GLN 177 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1sgl s LYS 178 N -2.37 0.45 -0.04 -1.09 1.02 -0.91 -1.23 119.74 115.59 1sgl s LYS 178 Ca -0.27 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 54.82 1sgl s LYS 178 Cb 0.10 0.16 0.03 0.00 -0.52 0.00 0.00 37.83 37.59 1sgl s LYS 178 CO 0.37 -0.08 0.03 -1.17 -0.92 0.00 0.00 175.35 173.58 1sgl s LEU 179 N -2.14 0.65 0.02 3.17 0.20 -0.23 -1.56 118.68 118.79 1sgl s LEU 179 Ca -0.05 0.03 0.07 0.00 0.69 0.00 0.00 54.13 54.87 1sgl s LEU 179 Cb -0.02 -0.17 -0.03 0.00 -0.43 0.00 0.00 46.19 45.54 1sgl s LEU 179 CO -0.05 -0.18 -0.21 -0.44 -0.29 0.00 0.00 176.35 175.18 1sgl s SER 180 N 1.62 3.57 0.03 3.68 0.01 -0.13 -0.85 113.70 121.62 1sgl s SER 180 Ca -0.02 -0.44 0.06 0.00 1.31 0.00 0.00 55.95 56.87 1sgl s SER 180 Cb -0.13 -0.53 -0.03 0.00 0.21 0.00 0.00 66.02 65.55 1sgl s SER 180 CO -0.03 0.28 -0.16 -0.76 0.41 0.00 0.00 173.24 172.98 1sgl s LEU 181 N -1.17 2.69 0.02 2.44 1.43 -0.48 -1.30 118.68 122.32 1sgl s LEU 181 Ca 0.13 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1sgl s LEU 181 Cb -0.10 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1sgl s LEU 181 CO 0.03 0.27 -0.04 0.00 0.23 0.00 0.00 176.35 176.83 1sgl s PHE 183 N -1.08 0.31 0.74 0.00 0.40 -0.14 -1.26 117.98 116.95 1sgl s PHE 183 Ca 0.19 -0.65 -0.06 0.00 -0.60 0.00 0.00 56.93 55.82 1sgl s PHE 183 Cb -0.11 -0.23 0.16 0.00 0.51 0.00 0.00 43.02 43.34 1sgl s PHE 183 CO 0.10 -0.24 1.01 -0.40 0.70 0.00 0.00 175.22 176.39 1sgl n ASP 184 N 1.22 0.79 0.20 1.36 5.68 -0.44 0.05 116.55 125.41 1sgl n ASP 184 Ca -0.21 -1.80 0.17 0.00 -0.50 0.00 0.00 54.79 52.44 1sgl n ASP 184 Cb 0.57 -0.71 0.81 0.00 -1.14 0.00 0.00 41.12 40.65 1sgl n ASP 184 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1sgl h LYS 185 N 0.00 0.00 -0.36 0.11 1.79 -1.90 0.26 116.57 116.47 1sgl h LYS 185 Ca -0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1sgl h LYS 185 Cb 1.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1sgl h LYS 185 CO 0.30 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.42 1sgl n ASP 186 N -3.90 1.94 -2.20 0.86 10.43 -1.26 -4.91 116.55 117.50 1sgl n ASP 186 Ca 0.01 -1.99 -0.19 0.00 2.57 0.00 0.00 54.79 55.19 1sgl n ASP 186 Cb 0.31 -0.24 -0.01 0.00 1.84 0.00 0.00 41.12 43.02 1sgl n ASP 186 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1sgl n PHE 187 N 0.56 -0.97 -3.82 1.24 3.72 0.93 -5.00 117.46 114.13 1sgl n PHE 187 Ca 0.12 0.04 -0.36 0.00 -0.05 0.00 0.00 57.45 57.20 1sgl n PHE 187 Cb 0.31 -3.74 -0.06 0.00 -0.94 0.00 0.00 39.48 35.05 1sgl n PHE 187 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1sgl s LYS 188 N -4.99 3.52 0.49 -1.08 3.01 -1.26 -4.82 119.74 114.61 1sgl s LYS 188 Ca 0.02 -0.11 -0.24 0.00 -1.01 0.00 0.00 55.97 54.63 1sgl s LYS 188 Cb -0.01 -3.14 -0.07 0.00 -1.01 0.00 0.00 37.83 33.60 1sgl s LYS 188 CO 0.03 0.71 1.39 -2.30 0.51 0.00 0.00 175.35 175.69 1sgl n PRO 189 N 1.47 2.02 -3.87 -1.68 -0.02 -1.26 -1.33 135.00 130.33 1sgl n PRO 189 Ca -0.15 0.73 -0.12 0.00 -2.02 0.00 0.00 63.50 61.94 1sgl n PRO 189 Cb 0.54 -2.59 -0.12 0.00 -0.02 0.00 0.00 33.50 31.30 1sgl n PRO 189 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1sgl s ARG 190 N -2.59 0.20 0.35 -0.52 1.81 -0.39 -4.82 118.95 112.99 1sgl s ARG 190 Ca 0.65 -0.09 -0.28 0.00 -1.72 0.00 0.00 55.73 54.29 1sgl s ARG 190 Cb -0.44 0.08 -0.12 0.00 -0.45 0.00 0.00 34.95 34.03 1sgl s ARG 190 CO 0.54 -0.04 1.41 -0.25 -0.68 0.00 0.00 175.30 176.29 1sgl n ASP 191 N 2.54 3.34 -4.90 0.23 8.00 -1.26 -3.93 116.55 120.57 1sgl n ASP 191 Ca -0.16 1.21 -0.28 0.00 0.71 0.00 0.00 54.79 56.28 1sgl n ASP 191 Cb 0.58 -1.56 -0.01 0.00 -0.02 0.00 0.00 41.12 40.11 1sgl n ASP 191 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sgl s VAL 193 N -2.63 2.48 0.45 0.00 1.01 -1.26 -4.91 120.40 115.54 1sgl s VAL 193 Ca 0.48 0.44 -0.25 0.00 0.00 0.00 0.00 61.98 62.64 1sgl s VAL 193 Cb -0.10 -3.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.92 1sgl s VAL 193 CO 0.41 0.09 1.40 -1.58 0.00 0.00 0.00 175.10 175.42 1sgl s GLN 194 N -1.07 3.71 0.02 2.72 2.00 -1.26 -4.87 119.66 120.90 1sgl s GLN 194 Ca 0.56 2.37 -0.04 0.00 -2.00 0.00 0.00 55.36 56.24 1sgl s GLN 194 Cb -0.43 -2.65 -0.01 0.00 0.80 0.00 0.00 33.01 30.72 1sgl s GLN 194 CO 0.50 -0.78 0.06 0.54 -0.50 0.00 0.00 175.29 175.11 1sgl s VAL 195 N -1.22 0.10 -0.36 1.34 0.11 -1.26 -5.13 120.40 113.99 1sgl s VAL 195 Ca 0.61 -0.87 -0.08 0.00 -2.93 0.00 0.00 61.98 58.71 1sgl s VAL 195 Cb -0.43 -0.46 0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1sgl s VAL 195 CO 0.55 -0.48 0.15 -0.83 -3.33 0.00 0.00 175.10 171.16 1sgl s GLY 196 N -1.57 1.88 0.06 6.54 0.00 -1.26 -4.84 107.32 108.13 1sgl s GLY 196 Ca -0.13 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.82 1sgl s GLY 196 CO -0.01 0.81 0.00 -1.26 0.00 0.00 0.00 173.10 172.64 1sgl n SER 197 N 4.88 -0.17 -4.81 1.64 2.88 -1.26 -5.08 113.62 111.69 1sgl n SER 197 Ca -0.12 0.11 -0.37 0.00 -1.33 0.00 0.00 58.87 57.16 1sgl n SER 197 Cb 0.45 0.26 -0.06 0.00 -0.75 0.00 0.00 64.21 64.11 1sgl n SER 197 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sgl n PRO 199 N 0.84 -1.68 0.01 0.00 -0.04 -1.26 -4.95 135.00 127.92 1sgl n PRO 199 Ca -0.03 -1.97 0.01 0.00 -0.04 0.00 0.00 63.50 61.47 1sgl n PRO 199 Cb 0.51 -1.41 0.33 0.00 -0.04 0.00 0.00 33.50 32.89 1sgl n PRO 199 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1sgl h ARG 200 N 0.00 0.50 -5.88 0.54 2.43 -1.98 -3.42 114.38 106.57 1sgl h ARG 200 Ca -0.42 -0.09 -0.68 0.00 -0.81 0.00 0.00 59.98 57.98 1sgl h ARG 200 Cb 1.19 -0.08 -0.28 0.00 -0.42 0.00 0.00 29.97 30.37 1sgl h ARG 200 CO 0.29 0.49 -0.83 0.71 -1.51 0.00 0.00 179.97 179.13 1sgl s TYR 201 N -5.05 2.60 0.25 2.20 1.51 -1.26 -0.54 117.35 117.05 1sgl s TYR 201 Ca -0.07 -0.58 0.04 0.00 -1.01 0.00 0.00 57.07 55.44 1sgl s TYR 201 Cb 0.16 -1.67 -0.05 0.00 -0.11 0.00 0.00 41.96 40.28 1sgl s TYR 201 CO 0.75 -0.13 0.01 0.14 -1.11 0.00 0.00 175.55 175.21 1sgl s VAL 202 N -0.15 1.06 0.05 0.71 -7.23 0.40 -4.89 120.40 110.35 1sgl s VAL 202 Ca -0.03 -2.03 0.07 0.00 -1.81 0.00 0.00 61.98 58.18 1sgl s VAL 202 Cb -0.14 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1sgl s VAL 202 CO 0.04 -0.25 -0.21 -0.94 -0.31 0.00 0.00 175.10 173.43 1sgl s SER 203 N -3.34 2.47 -0.70 4.85 1.04 -0.86 0.60 113.70 117.76 1sgl s SER 203 Ca 0.30 -0.53 0.05 0.00 0.48 0.00 0.00 55.95 56.25 1sgl s SER 203 Cb 0.06 -0.20 0.18 0.00 0.10 0.00 0.00 66.02 66.16 1sgl s SER 203 CO 0.10 0.15 0.51 0.18 0.98 0.00 0.00 173.24 175.16 1sgl n LEU 204 N 1.79 3.01 -4.75 2.42 4.77 -1.26 -2.35 117.00 120.62 1sgl n LEU 204 Ca -0.17 -5.21 -0.34 0.00 -0.03 0.00 0.00 56.01 50.25 1sgl n LEU 204 Cb 0.53 -0.72 0.06 0.00 -2.33 0.00 0.00 43.42 40.96 1sgl n LEU 204 CO 0.23 1.78 0.79 -2.16 -1.33 0.00 0.00 177.39 176.70 1sgl s PRO 205 N -1.52 2.63 0.59 3.23 0.04 -1.25 -0.09 135.00 138.64 1sgl s PRO 205 Ca 0.26 1.65 -0.08 0.00 0.04 0.00 0.00 61.00 62.88 1sgl s PRO 205 Cb -0.03 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 1sgl s PRO 205 CO -0.16 -1.44 0.94 -1.21 0.04 0.00 0.00 177.00 175.17 1sgl s GLU 206 N -3.78 3.14 0.17 4.56 2.02 -1.26 -3.85 118.70 119.70 1sgl s GLU 206 Ca 0.73 0.25 -0.31 0.00 0.02 0.00 0.00 54.97 55.65 1sgl s GLU 206 Cb -0.26 -2.21 -0.09 0.00 0.10 0.00 0.00 34.13 31.66 1sgl s GLU 206 CO 0.40 -0.64 1.48 0.42 0.02 0.00 0.00 175.26 176.93 1sgl s ILE 207 N -3.04 2.86 0.35 -1.63 1.01 -1.26 -4.68 121.20 114.80 1sgl s ILE 207 Ca 0.53 0.64 -0.29 0.00 0.00 0.00 0.00 60.65 61.54 1sgl s ILE 207 Cb -0.11 -3.41 -0.11 0.00 0.01 0.00 0.00 42.46 38.85 1sgl s ILE 207 CO 0.48 0.06 1.46 -2.84 0.00 0.00 0.00 174.94 174.10 1sgl s PRO 208 N 0.75 4.17 0.00 2.79 0.02 -1.26 -5.06 135.00 136.41 1sgl s PRO 208 Ca 0.65 2.49 0.30 0.00 0.02 0.00 0.00 61.00 64.46 1sgl s PRO 208 Cb -0.41 -3.00 1.79 0.00 0.02 0.00 0.00 34.50 32.90 1sgl s PRO 208 CO 0.34 -0.47 2.12 -0.25 -0.33 0.00 0.00 177.00 178.41