#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oge s LYS 2 N 0.00 4.28 0.04 0.03 2.20 -1.26 -4.94 119.74 120.09 1oge s LYS 2 Ca 0.00 2.06 -0.16 0.00 -0.36 0.00 0.00 55.97 57.51 1oge s LYS 2 Cb 0.00 -3.48 -0.28 0.00 -1.51 0.00 0.00 37.83 32.55 1oge s LYS 2 CO 0.00 -0.56 1.09 0.87 -0.36 0.00 0.00 175.35 176.38 1oge h LYS 3 N 7.62 0.58 -5.76 4.03 1.57 -2.05 -3.48 116.57 119.09 1oge h LYS 3 Ca -0.40 -0.76 -0.61 0.00 -1.87 0.00 0.00 60.65 57.01 1oge h LYS 3 Cb 1.19 0.25 -0.12 0.00 0.08 0.00 0.00 32.23 33.64 1oge h LYS 3 CO 0.90 1.34 -0.57 -1.01 -0.57 0.00 0.00 179.45 179.53 1oge s HIS 4 N -2.98 2.54 0.00 -1.35 3.76 -1.26 -5.09 115.29 110.91 1oge s HIS 4 Ca -0.10 -0.63 0.00 0.00 -0.15 0.00 0.00 55.06 54.18 1oge s HIS 4 Cb 0.05 -1.80 0.00 0.00 1.11 0.00 0.00 32.58 31.94 1oge s HIS 4 CO 0.91 0.38 0.00 0.41 -0.85 0.00 0.00 174.74 175.59 1oge n GLY 5 N -1.04 -2.68 3.77 -2.22 0.00 -1.26 -4.93 105.19 96.83 1oge n GLY 5 Ca -0.04 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 1oge n GLY 5 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1oge s ILE 6 N -0.68 2.11 0.14 -0.61 2.07 -1.26 -4.94 121.20 118.03 1oge s ILE 6 Ca 0.00 0.10 -0.03 0.00 -1.41 0.00 0.00 60.65 59.31 1oge s ILE 6 Cb 0.00 -3.06 -0.17 0.00 0.13 0.00 0.00 42.46 39.36 1oge s ILE 6 CO 0.00 0.02 1.33 0.25 -1.91 0.00 0.00 174.94 174.63 1oge h LEU 7 N 2.44 0.48 -9.37 8.50 5.85 -1.99 -3.45 115.31 117.76 1oge h LEU 7 Ca -0.51 -0.37 -0.54 0.00 0.84 0.00 0.00 57.88 57.30 1oge h LEU 7 Cb 1.26 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1oge h LEU 7 CO 0.62 1.17 0.95 0.21 -0.34 0.00 0.00 178.44 181.04 1oge s ASN 8 N -7.04 6.73 0.24 1.25 3.84 -1.26 -4.92 114.94 113.78 1oge s ASN 8 Ca -0.05 2.26 -0.05 0.00 0.21 0.00 0.00 52.86 55.23 1oge s ASN 8 Cb 0.09 -2.56 0.26 0.00 -0.55 0.00 0.00 41.25 38.49 1oge s ASN 8 CO 0.86 -0.82 1.83 0.77 -2.79 0.00 0.00 177.10 176.94 1oge h SER 9 N 8.35 1.02 -0.17 -4.21 4.64 -2.00 -1.19 113.55 120.00 1oge h SER 9 Ca -0.40 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 60.77 1oge h SER 9 Cb 1.18 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1oge h SER 9 CO 0.92 0.88 0.02 0.45 -0.87 0.00 0.00 176.83 178.24 1oge h HIS 10 N 1.10 0.30 -0.51 4.77 3.86 -1.99 -2.81 115.15 119.87 1oge h HIS 10 Ca 0.26 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.38 1oge h HIS 10 Cb 0.16 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1oge h HIS 10 CO 0.02 0.46 0.11 -0.07 0.86 0.00 0.00 177.93 179.30 1oge h LEU 11 N 0.06 0.72 -0.74 2.43 3.38 -1.93 -2.71 115.31 116.52 1oge h LEU 11 Ca 0.05 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1oge h LEU 11 Cb 0.32 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1oge h LEU 11 CO 0.00 0.72 0.48 0.00 0.09 0.00 0.00 178.44 179.74 1oge h ALA 12 N 1.37 0.95 -0.41 1.53 0.00 -1.11 0.52 119.26 122.12 1oge h ALA 12 Ca 0.16 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1oge h ALA 12 Cb 0.30 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1oge h ALA 12 CO 0.00 0.32 0.00 0.87 0.00 0.00 0.00 179.25 180.44 1oge h LYS 13 N 0.97 0.65 -0.11 0.00 1.57 -1.23 0.25 116.57 118.66 1oge h LYS 13 Ca 0.28 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1oge h LYS 13 Cb -0.06 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1oge h LYS 13 CO -0.08 0.66 -0.21 0.82 -0.57 0.00 0.00 179.45 180.07 1oge h ILE 14 N 0.61 1.38 -0.71 1.86 1.08 -1.11 -3.18 117.51 117.44 1oge h ILE 14 Ca 0.13 -1.48 -0.04 0.00 -0.39 0.00 0.00 64.86 63.08 1oge h ILE 14 Cb 0.38 2.07 -0.03 0.00 -3.07 0.00 0.00 36.82 36.17 1oge h ILE 14 CO 0.01 0.43 0.30 -0.07 -0.69 0.00 0.00 178.15 178.13 1oge h LEU 15 N -0.08 0.95 -1.53 1.44 3.38 -0.70 -2.62 115.31 116.15 1oge h LEU 15 Ca 0.01 -0.13 0.14 0.00 0.09 0.00 0.00 57.88 57.98 1oge h LEU 15 Cb 0.79 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1oge h LEU 15 CO 0.05 0.83 0.50 0.00 0.09 0.00 0.00 178.44 179.91 1oge h ALA 16 N 1.30 2.04 -0.01 1.53 0.00 -0.95 -1.68 119.26 121.49 1oge h ALA 16 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1oge h ALA 16 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1oge h ALA 16 CO -0.02 -0.23 -0.27 -0.25 0.00 0.00 0.00 179.25 178.48 1oge n ASP 17 N -4.49 1.09 -4.73 0.00 8.00 -1.00 -4.95 116.55 110.47 1oge n ASP 17 Ca 0.14 -0.93 -0.42 0.00 0.71 0.00 0.00 54.79 54.29 1oge n ASP 17 Cb 0.49 0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.71 1oge n ASP 17 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1oge n LEU 18 N -0.61 4.09 -4.61 0.64 4.77 -0.63 -5.01 117.00 115.63 1oge n LEU 18 Ca 0.12 1.08 -0.27 0.00 -0.03 0.00 0.00 56.01 56.92 1oge n LEU 18 Cb 0.35 -1.58 -0.10 0.00 -2.33 0.00 0.00 43.42 39.76 1oge n LEU 18 CO 0.26 0.17 -0.30 -0.83 -1.33 0.00 0.00 177.39 175.36 1oge s GLY 19 N 0.99 2.35 0.03 -0.72 0.00 -1.26 -5.04 107.32 103.68 1oge s GLY 19 Ca 0.72 -2.19 -0.34 0.00 0.00 0.00 0.00 44.72 42.91 1oge s GLY 19 CO 0.37 -2.04 1.75 1.57 0.00 0.00 0.00 173.10 174.74 1oge n HIS 20 N -0.95 2.31 -0.40 1.90 -0.00 -1.26 -1.54 115.22 115.28 1oge n HIS 20 Ca -0.04 0.11 0.00 0.00 0.46 0.00 0.00 57.72 58.24 1oge n HIS 20 Cb 0.65 -2.61 0.00 0.00 -0.12 0.00 0.00 29.99 27.91 1oge n HIS 20 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1oge n THR 21 N 4.38 0.00 -1.92 3.57 -2.24 -0.37 -5.00 114.28 112.69 1oge n THR 21 Ca 0.20 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.63 1oge n THR 21 Cb 0.29 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.56 1oge n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1oge s ASP 22 N -3.20 5.08 0.07 3.42 1.01 -0.59 -4.55 116.67 117.91 1oge s ASP 22 Ca 0.00 2.32 0.08 0.00 0.71 0.00 0.00 52.55 55.66 1oge s ASP 22 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1oge s ASP 22 CO 0.00 -1.66 -0.23 -0.54 0.21 0.00 0.00 175.17 172.95 1oge s LYS 23 N -3.50 1.42 0.12 8.23 1.02 -1.26 -0.20 119.74 125.57 1oge s LYS 23 Ca 0.75 -1.08 0.05 0.00 0.02 0.00 0.00 55.97 55.71 1oge s LYS 23 Cb -0.28 -1.63 -0.04 0.00 -0.52 0.00 0.00 37.83 35.35 1oge s LYS 23 CO 0.35 0.41 -0.13 0.96 -0.92 0.00 0.00 175.35 176.02 1oge s ILE 24 N -0.91 1.22 -0.04 2.17 -4.36 -0.79 -0.39 121.20 118.10 1oge s ILE 24 Ca 0.09 -1.75 0.06 0.00 -0.26 0.00 0.00 60.65 58.79 1oge s ILE 24 Cb -0.09 -1.53 -0.02 0.00 1.25 0.00 0.00 42.46 42.06 1oge s ILE 24 CO 0.03 -0.49 -0.22 -0.69 0.24 0.00 0.00 174.94 173.80 1oge s VAL 25 N -2.37 2.32 -0.19 8.37 1.01 -0.05 -1.24 120.40 128.25 1oge s VAL 25 Ca 0.09 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1oge s VAL 25 Cb -0.03 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1oge s VAL 25 CO 0.02 0.58 -0.06 -0.63 0.00 0.00 0.00 175.10 175.01 1oge s ILE 26 N -0.44 3.40 0.14 2.22 1.01 -0.72 0.97 121.20 127.79 1oge s ILE 26 Ca 0.05 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.25 1oge s ILE 26 Cb -0.12 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1oge s ILE 26 CO 0.01 0.45 -0.12 0.00 0.00 0.00 0.00 174.94 175.28 1oge s ALA 27 N 1.07 1.52 0.95 9.38 0.00 0.37 -1.76 121.76 133.29 1oge s ALA 27 Ca 0.01 -1.42 -0.15 0.00 0.00 0.00 0.00 51.96 50.40 1oge s ALA 27 Cb -0.15 -0.02 0.18 0.00 0.00 0.00 0.00 23.12 23.13 1oge s ALA 27 CO -0.00 0.01 1.23 0.16 0.00 0.00 0.00 175.76 177.15 1oge s ASP 28 N -2.86 3.17 0.00 0.00 3.84 -0.98 -1.32 116.67 118.51 1oge s ASP 28 Ca 0.14 0.55 0.07 0.00 -0.00 0.00 0.00 52.55 53.31 1oge s ASP 28 Cb -0.01 -0.82 0.30 0.00 -1.38 0.00 0.00 42.92 41.01 1oge s ASP 28 CO 0.02 -2.73 1.21 0.00 -0.00 0.00 0.00 175.17 173.68 1oge n ALA 29 N -3.81 1.33 0.47 2.11 0.00 -0.72 -3.22 120.51 116.67 1oge n ALA 29 Ca 0.12 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.59 1oge n ALA 29 Cb 0.60 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.86 1oge n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oge n GLY 30 N -0.78 -0.20 3.72 0.00 0.00 -1.26 -5.01 105.19 101.66 1oge n GLY 30 Ca 0.02 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1oge n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1oge n LEU 31 N -1.39 4.04 -4.78 0.99 7.94 -1.20 -4.96 117.00 117.63 1oge n LEU 31 Ca 0.01 1.11 -0.37 0.00 -1.11 0.00 0.00 56.01 55.66 1oge n LEU 31 Cb 0.21 -1.56 -0.06 0.00 0.53 0.00 0.00 43.42 42.53 1oge n LEU 31 CO 0.25 0.09 0.66 -2.16 -1.11 0.00 0.00 177.39 175.11 1oge s PRO 32 N 0.30 4.53 -0.26 1.96 0.04 -1.26 -4.99 135.00 135.32 1oge s PRO 32 Ca 0.70 1.32 -0.10 0.00 0.04 0.00 0.00 61.00 62.96 1oge s PRO 32 Cb -0.52 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 1oge s PRO 32 CO 0.41 0.23 0.14 0.08 0.04 0.00 0.00 177.00 177.90 1oge s VAL 33 N -1.68 4.98 0.62 -0.36 1.01 -1.26 -5.07 120.40 118.65 1oge s VAL 33 Ca 0.52 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 1oge s VAL 33 Cb -0.18 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1oge s VAL 33 CO 0.23 0.30 1.22 -2.65 0.00 0.00 0.00 175.10 174.20 1oge n PRO 34 N 4.81 1.13 -1.90 2.72 -0.02 -1.26 -4.91 135.00 135.56 1oge n PRO 34 Ca -0.15 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.35 1oge n PRO 34 Cb 0.52 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1oge n PRO 34 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1oge s ASP 35 N -1.29 6.52 0.00 2.55 -0.00 -1.26 -2.23 116.67 120.96 1oge s ASP 35 Ca 0.80 2.82 0.00 0.00 -0.00 0.00 0.00 52.55 56.17 1oge s ASP 35 Cb -0.39 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 39.89 1oge s ASP 35 CO 0.43 -0.80 0.00 0.61 -0.00 0.00 0.00 175.17 175.41 1oge n GLY 36 N 1.95 1.14 3.71 0.21 0.00 -1.26 -5.04 105.19 105.91 1oge n GLY 36 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1oge n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oge s VAL 37 N -2.30 5.32 0.29 1.61 1.01 -0.95 -5.04 120.40 120.35 1oge s VAL 37 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.12 1oge s VAL 37 Cb 0.00 -3.59 -0.11 0.00 0.00 0.00 0.00 36.38 32.68 1oge s VAL 37 CO 0.00 0.38 1.50 -0.22 0.00 0.00 0.00 175.10 176.76 1oge s LEU 38 N 0.62 4.36 -0.19 3.92 2.96 -1.26 -4.86 118.68 124.23 1oge s LEU 38 Ca 0.14 2.85 -0.01 0.00 -0.22 0.00 0.00 54.13 56.89 1oge s LEU 38 Cb -0.13 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 42.94 1oge s LEU 38 CO 0.03 -0.81 -0.15 -0.75 -1.32 0.00 0.00 176.35 173.35 1oge s LYS 39 N -0.77 3.11 -0.29 1.98 2.20 -1.26 -0.99 119.74 123.72 1oge s LYS 39 Ca 0.59 -0.77 -0.04 0.00 -0.36 0.00 0.00 55.97 55.39 1oge s LYS 39 Cb -0.45 -2.71 0.03 0.00 -1.51 0.00 0.00 37.83 33.19 1oge s LYS 39 CO 0.49 -0.21 0.03 0.42 -0.36 0.00 0.00 175.35 175.72 1oge s ILE 40 N 1.35 3.46 -0.40 5.43 1.01 -0.42 -4.98 121.20 126.66 1oge s ILE 40 Ca 0.05 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.59 1oge s ILE 40 Cb -0.13 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.51 1oge s ILE 40 CO -0.10 0.04 0.29 -0.62 0.00 0.00 0.00 174.94 174.55 1oge s ASP 41 N 1.39 6.09 0.00 3.58 3.68 -1.26 -0.72 116.67 129.43 1oge s ASP 41 Ca -0.00 -0.81 0.23 0.00 2.13 0.00 0.00 52.55 54.10 1oge s ASP 41 Cb -0.18 -2.15 0.06 0.00 -1.45 0.00 0.00 42.92 39.20 1oge s ASP 41 CO -0.00 -0.41 1.13 0.18 0.13 0.00 0.00 175.17 176.20 1oge n LEU 42 N 5.15 1.69 -4.72 -1.34 4.77 -0.11 -4.95 117.00 117.48 1oge n LEU 42 Ca -0.11 -0.63 -0.39 0.00 -0.03 0.00 0.00 56.01 54.84 1oge n LEU 42 Cb 0.47 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1oge n LEU 42 CO 0.40 0.33 0.91 -1.54 -1.33 0.00 0.00 177.39 176.16 1oge n SER 43 N -0.40 2.53 0.00 -1.43 3.41 -1.17 -4.33 113.62 112.24 1oge n SER 43 Ca 0.09 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 1oge n SER 43 Cb 0.43 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 1oge n SER 43 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1oge n LEU 44 N -0.44 2.16 -3.65 1.04 7.94 0.72 -4.92 117.00 119.86 1oge n LEU 44 Ca 0.09 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.93 1oge n LEU 44 Cb 0.43 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.36 1oge n LEU 44 CO 0.56 0.35 0.69 -1.59 -1.11 0.00 0.00 177.39 176.28 1oge s LYS 45 N -1.94 1.07 -0.09 1.96 -2.85 -1.06 -5.04 119.74 111.79 1oge s LYS 45 Ca 0.00 -0.52 -0.40 0.00 -1.00 0.00 0.00 55.97 54.05 1oge s LYS 45 Cb 0.00 0.41 -0.18 0.00 -2.06 0.00 0.00 37.83 36.00 1oge s LYS 45 CO 0.00 -0.48 1.41 -2.30 0.10 0.00 0.00 175.35 174.07 1oge n PRO 46 N -0.38 0.75 -0.82 1.78 -0.02 -1.26 -0.44 135.00 134.60 1oge n PRO 46 Ca -0.08 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1oge n PRO 46 Cb 0.61 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1oge n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oge n GLY 47 N 2.86 1.26 2.74 -1.23 0.00 0.36 -4.98 105.19 106.19 1oge n GLY 47 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 1oge n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1oge s LEU 48 N 0.00 0.96 0.66 0.99 2.96 0.42 -2.88 118.68 121.78 1oge s LEU 48 Ca 0.00 -0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 53.21 1oge s LEU 48 Cb 0.00 -0.53 0.01 0.00 0.50 0.00 0.00 46.19 46.17 1oge s LEU 48 CO 0.00 -0.28 1.03 -2.16 -1.32 0.00 0.00 176.35 173.62 1oge s PRO 49 N 1.91 2.95 0.44 0.98 0.04 -1.26 -0.20 135.00 139.86 1oge s PRO 49 Ca 0.01 0.35 -0.07 0.00 0.04 0.00 0.00 61.00 61.32 1oge s PRO 49 Cb -0.16 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 1oge s PRO 49 CO -0.07 -0.88 0.77 0.00 0.04 0.00 0.00 177.00 176.85 1oge s ALA 50 N -3.23 3.39 0.14 8.56 0.00 -1.14 -0.81 121.76 128.68 1oge s ALA 50 Ca 0.56 -0.40 -0.19 0.00 0.00 0.00 0.00 51.96 51.94 1oge s ALA 50 Cb -0.11 -2.62 0.03 0.00 0.00 0.00 0.00 23.12 20.42 1oge s ALA 50 CO 0.50 -0.20 1.68 0.35 0.00 0.00 0.00 175.76 178.09 1oge h PHE 51 N 0.67 -0.23 -0.52 0.00 3.57 -1.94 -2.04 116.94 116.45 1oge h PHE 51 Ca -0.47 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.12 1oge h PHE 51 Cb 1.20 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 40.03 1oge h PHE 51 CO 0.59 -0.16 0.23 1.96 -2.23 0.00 0.00 178.31 178.70 1oge h GLN 52 N -0.05 0.43 -0.34 1.11 4.20 -1.98 -0.09 115.11 118.39 1oge h GLN 52 Ca 0.14 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1oge h GLN 52 Cb 0.25 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1oge h GLN 52 CO -0.30 0.28 0.18 -0.44 -0.67 0.00 0.00 178.83 177.88 1oge h ASP 53 N 0.44 0.43 -0.07 1.46 3.45 -1.86 -1.53 116.42 118.74 1oge h ASP 53 Ca 0.24 -0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 1oge h ASP 53 Cb 0.22 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 38.87 1oge h ASP 53 CO -0.21 0.40 0.02 0.74 -1.57 0.00 0.00 179.24 178.62 1oge h THR 54 N 0.43 1.20 -0.74 0.35 2.02 -1.05 -2.32 112.91 112.79 1oge h THR 54 Ca 0.12 -0.60 0.04 0.00 0.77 0.00 0.00 66.41 66.74 1oge h THR 54 Cb 0.07 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1oge h THR 54 CO -0.02 0.17 0.48 0.00 0.37 0.00 0.00 175.52 176.52 1oge h ALA 55 N 0.80 1.59 -0.37 6.16 0.00 -0.98 -2.06 119.26 124.40 1oge h ALA 55 Ca 0.02 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1oge h ALA 55 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1oge h ALA 55 CO 0.00 0.32 -0.07 0.00 0.00 0.00 0.00 179.25 179.50 1oge h ALA 56 N 1.58 0.51 -0.53 0.00 0.00 -1.10 -1.14 119.26 118.57 1oge h ALA 56 Ca 0.30 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1oge h ALA 56 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1oge h ALA 56 CO -0.09 0.35 0.22 0.28 0.00 0.00 0.00 179.25 180.01 1oge h VAL 57 N 0.50 1.21 -0.45 0.00 2.07 -1.01 -2.91 116.25 115.67 1oge h VAL 57 Ca 0.10 -0.66 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 1oge h VAL 57 Cb 0.58 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1oge h VAL 57 CO 0.03 0.25 -0.11 -0.07 0.02 0.00 0.00 177.57 177.70 1oge h LEU 58 N 0.72 0.80 -1.56 2.57 -0.00 -1.30 -2.77 115.31 113.77 1oge h LEU 58 Ca 0.18 -0.24 0.02 0.00 -0.00 0.00 0.00 57.88 57.84 1oge h LEU 58 Cb 0.19 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.60 1oge h LEU 58 CO -0.02 0.93 0.33 0.00 -0.00 0.00 0.00 178.44 179.68 1oge h ALA 59 N 1.15 1.74 0.00 1.53 0.00 -1.02 -0.44 119.26 122.21 1oge h ALA 59 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1oge h ALA 59 Cb 0.60 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1oge h ALA 59 CO 0.04 0.22 -0.41 -0.85 0.00 0.00 0.00 179.25 178.25 1oge n GLU 60 N -4.47 0.27 0.00 0.00 0.28 -1.07 -4.06 120.64 111.59 1oge n GLU 60 Ca 0.05 0.12 0.06 0.00 -0.16 0.00 0.00 57.16 57.23 1oge n GLU 60 Cb 0.12 -1.72 -0.07 0.00 1.43 0.00 0.00 31.44 31.20 1oge n GLU 60 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1oge n GLU 61 N -2.13 2.87 -4.40 3.44 -0.58 -0.80 -4.99 120.64 114.04 1oge n GLU 61 Ca 0.04 -0.01 -0.20 0.00 -0.42 0.00 0.00 57.16 56.57 1oge n GLU 61 Cb 0.43 -1.09 -0.14 0.00 -0.57 0.00 0.00 31.44 30.08 1oge n GLU 61 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1oge s MET 62 N -2.18 0.96 -0.40 3.49 1.75 -0.24 -4.94 119.30 117.75 1oge s MET 62 Ca 0.05 -0.72 -0.23 0.00 -1.25 0.00 0.00 55.69 53.54 1oge s MET 62 Cb 0.09 -0.97 0.02 0.00 2.84 0.00 0.00 34.83 36.81 1oge s MET 62 CO 0.51 0.24 0.78 0.00 -0.65 0.00 0.00 175.02 175.90 1oge s ALA 63 N -0.77 3.37 -0.23 4.11 0.00 -1.26 -4.72 121.76 122.26 1oge s ALA 63 Ca 0.02 -0.82 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 1oge s ALA 63 Cb -0.07 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1oge s ALA 63 CO 0.01 -1.67 0.07 0.08 0.00 0.00 0.00 175.76 174.24 1oge s VAL 64 N 3.16 4.41 -0.30 0.00 1.01 -1.26 0.11 120.40 127.53 1oge s VAL 64 Ca 0.30 -0.14 0.22 0.00 0.00 0.00 0.00 61.98 62.36 1oge s VAL 64 Cb -0.13 -3.04 -0.23 0.00 0.00 0.00 0.00 36.38 32.98 1oge s VAL 64 CO 0.19 0.37 0.72 -1.84 0.00 0.00 0.00 175.10 174.54 1oge n GLU 65 N 4.56 0.49 -3.56 2.72 0.28 -0.53 -4.77 120.64 119.83 1oge n GLU 65 Ca -0.16 -0.09 -0.17 0.00 -0.16 0.00 0.00 57.16 56.58 1oge n GLU 65 Cb 0.52 -1.57 -0.06 0.00 1.43 0.00 0.00 31.44 31.75 1oge n GLU 65 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1oge s LYS 66 N -3.36 0.98 -0.05 3.44 2.20 -1.21 -3.75 119.74 117.99 1oge s LYS 66 Ca -0.03 0.37 0.05 0.00 -0.36 0.00 0.00 55.97 56.00 1oge s LYS 66 Cb 0.14 0.46 -0.01 0.00 -1.51 0.00 0.00 37.83 36.92 1oge s LYS 66 CO 0.87 -0.27 -0.20 0.08 -0.36 0.00 0.00 175.35 175.47 1oge s VAL 67 N -0.89 1.63 -0.05 4.02 1.01 0.03 -1.35 120.40 124.80 1oge s VAL 67 Ca -0.09 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.11 1oge s VAL 67 Cb -0.01 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 1oge s VAL 67 CO 0.08 0.46 -0.22 -0.63 0.00 0.00 0.00 175.10 174.79 1oge s ILE 68 N -0.07 1.84 0.13 2.22 1.01 -0.31 -0.95 121.20 125.08 1oge s ILE 68 Ca -0.03 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 1oge s ILE 68 Cb -0.12 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 1oge s ILE 68 CO 0.02 0.52 0.17 0.00 0.00 0.00 0.00 174.94 175.65 1oge s ALA 69 N -0.07 0.30 0.01 9.38 0.00 -0.33 -0.39 121.76 130.66 1oge s ALA 69 Ca -0.04 -1.07 -0.26 0.00 0.00 0.00 0.00 51.96 50.59 1oge s ALA 69 Cb -0.13 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 1oge s ALA 69 CO 0.03 -0.55 0.80 0.00 0.00 0.00 0.00 175.76 176.04 1oge s ALA 70 N -3.98 3.31 0.37 0.00 0.00 -1.26 -1.29 121.76 118.92 1oge s ALA 70 Ca 0.17 0.30 0.15 0.00 0.00 0.00 0.00 51.96 52.58 1oge s ALA 70 Cb 0.05 -3.06 1.00 0.00 0.00 0.00 0.00 23.12 21.11 1oge s ALA 70 CO -0.02 -0.04 1.77 0.00 0.00 0.00 0.00 175.76 177.47 1oge h ALA 71 N 6.19 2.05 -0.07 0.00 0.00 0.68 -0.53 119.26 127.58 1oge h ALA 71 Ca -0.42 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1oge h ALA 71 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1oge h ALA 71 CO 0.73 -0.46 0.21 0.93 0.00 0.00 0.00 179.25 180.66 1oge h GLU 72 N 0.49 0.00 -0.31 0.00 3.07 -1.93 -2.07 114.58 113.82 1oge h GLU 72 Ca 0.60 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.41 1oge h GLU 72 Cb 1.33 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.23 1oge h GLU 72 CO -0.34 0.00 -0.02 0.97 -1.40 0.00 0.00 179.01 178.22 1oge h ILE 73 N 0.00 1.20 0.00 3.13 2.10 -1.35 -1.23 117.51 121.36 1oge h ILE 73 Ca 0.03 -0.79 -0.04 0.00 1.08 0.00 0.00 64.86 65.15 1oge h ILE 73 Cb 0.46 0.98 -0.01 0.00 -1.09 0.00 0.00 36.82 37.16 1oge h ILE 73 CO -0.00 0.27 -0.17 0.11 -1.08 0.00 0.00 178.15 177.28 1oge h LYS 74 N 0.47 0.00 0.00 2.19 1.57 -1.57 -0.28 116.57 118.95 1oge h LYS 74 Ca 0.10 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.66 1oge h LYS 74 Cb 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1oge h LYS 74 CO 0.01 0.17 -1.21 0.00 -0.57 0.00 0.00 179.45 177.85 1oge h ALA 75 N 1.83 0.25 -0.02 3.86 0.00 -1.46 -3.39 119.26 120.33 1oge h ALA 75 Ca -0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1oge h ALA 75 Cb 0.42 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1oge h ALA 75 CO 0.02 0.67 -0.11 0.43 0.00 0.00 0.00 179.25 180.27 1oge n SER 76 N -4.44 2.48 -2.80 0.00 7.64 -0.55 -4.64 113.62 111.32 1oge n SER 76 Ca -0.31 -1.77 -0.10 0.00 1.01 0.00 0.00 58.87 57.69 1oge n SER 76 Cb 0.67 0.10 0.07 0.00 -1.01 0.00 0.00 64.21 64.05 1oge n SER 76 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1oge n ASN 77 N 0.80 -1.14 -0.34 6.43 2.85 -0.12 -4.76 115.26 118.97 1oge n ASN 77 Ca 0.14 -3.10 0.16 0.00 -0.11 0.00 0.00 54.58 51.66 1oge n ASN 77 Cb 0.52 0.88 0.37 0.00 1.24 0.00 0.00 39.78 42.80 1oge n ASN 77 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1oge h GLN 78 N 2.72 0.63 0.15 1.20 5.75 -1.74 -1.79 115.11 122.04 1oge h GLN 78 Ca -0.11 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.36 1oge h GLN 78 Cb 1.14 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.51 1oge h GLN 78 CO 0.19 0.42 -0.50 0.93 -2.65 0.00 0.00 178.83 177.22 1oge h GLU 79 N 0.65 -0.71 -0.03 1.69 4.39 -1.94 -0.31 114.58 118.32 1oge h GLU 79 Ca 0.60 0.05 -0.07 0.00 0.34 0.00 0.00 59.36 60.28 1oge h GLU 79 Cb 1.09 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 1oge h GLU 79 CO -0.40 -0.47 -0.31 -0.91 -1.16 0.00 0.00 179.01 175.75 1oge h ASN 80 N -0.74 0.05 -0.66 1.42 2.35 -1.82 -2.41 115.58 113.77 1oge h ASN 80 Ca -0.01 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1oge h ASN 80 Cb 0.73 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.06 1oge h ASN 80 CO -0.25 0.36 0.24 0.00 -1.65 0.00 0.00 177.43 176.13 1oge h ALA 81 N 1.65 0.86 -0.36 -0.83 0.00 -0.85 -1.73 119.26 117.99 1oge h ALA 81 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1oge h ALA 81 Cb 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1oge h ALA 81 CO 0.04 0.49 -0.17 0.87 0.00 0.00 0.00 179.25 180.49 1oge h LYS 82 N 0.94 0.75 -0.49 0.00 1.57 -0.79 -2.32 116.57 116.23 1oge h LYS 82 Ca 0.22 -0.33 0.09 0.00 -1.87 0.00 0.00 60.65 58.76 1oge h LYS 82 Cb 0.24 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.45 1oge h LYS 82 CO -0.01 0.94 0.06 0.35 -0.57 0.00 0.00 179.45 180.21 1oge h PHE 83 N 0.54 0.08 -0.49 -1.35 3.57 -1.18 -0.56 116.94 117.56 1oge h PHE 83 Ca 0.08 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1oge h PHE 83 Cb 0.71 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1oge h PHE 83 CO 0.06 -0.05 0.21 1.25 -2.23 0.00 0.00 178.31 177.55 1oge h LEU 84 N 0.18 0.66 -0.88 0.59 5.85 -1.21 0.18 115.31 120.68 1oge h LEU 84 Ca 0.25 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1oge h LEU 84 Cb 0.35 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1oge h LEU 84 CO -0.36 0.63 0.44 -0.33 -0.34 0.00 0.00 178.44 178.48 1oge h GLU 85 N 0.64 1.24 0.03 1.25 4.39 -0.86 -1.80 114.58 119.48 1oge h GLU 85 Ca 0.16 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1oge h GLU 85 Cb 0.17 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1oge h GLU 85 CO -0.02 0.94 -0.02 -0.91 -1.16 0.00 0.00 179.01 177.84 1oge h ASN 86 N 1.23 -0.04 -0.74 1.42 -0.26 -0.83 -2.95 115.58 113.42 1oge h ASN 86 Ca 0.30 -0.53 0.08 0.00 -0.56 0.00 0.00 56.30 55.59 1oge h ASN 86 Cb 0.09 0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 37.30 1oge h ASN 86 CO -0.04 0.53 0.41 0.25 -1.06 0.00 0.00 177.43 177.51 1oge h LEU 87 N -0.62 0.59 -4.71 1.61 5.85 -0.58 -2.92 115.31 114.54 1oge h LEU 87 Ca -0.00 0.04 -0.68 0.00 0.84 0.00 0.00 57.88 58.08 1oge h LEU 87 Cb 0.57 -0.07 -0.34 0.00 0.37 0.00 0.00 40.66 41.18 1oge h LEU 87 CO 0.01 0.36 0.21 0.49 -0.34 0.00 0.00 178.44 179.17 1oge n PHE 88 N -4.78 3.17 -0.21 1.25 3.01 -0.68 -4.78 117.46 114.44 1oge n PHE 88 Ca 0.11 -2.69 0.01 0.00 1.01 0.00 0.00 57.45 55.88 1oge n PHE 88 Cb 0.22 -0.69 0.26 0.00 -0.01 0.00 0.00 39.48 39.26 1oge n PHE 88 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1oge h SER 89 N 2.75 0.84 1.63 4.37 4.64 -1.32 -2.33 113.55 124.12 1oge h SER 89 Ca 0.45 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.70 1oge h SER 89 Cb 0.50 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1oge h SER 89 CO 1.17 0.61 -0.22 -0.33 -0.87 0.00 0.00 176.83 177.19 1oge h GLU 90 N 0.99 0.00 -6.69 4.77 5.08 -1.88 -3.46 114.58 113.39 1oge h GLU 90 Ca 0.27 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 58.14 1oge h GLU 90 Cb -0.10 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.16 1oge h GLU 90 CO -0.06 0.22 -0.05 -0.65 -1.00 0.00 0.00 179.01 177.47 1oge s GLN 91 N -3.19 3.56 -0.09 2.33 1.11 -0.88 -5.05 119.66 117.45 1oge s GLN 91 Ca 0.05 -0.01 -0.30 0.00 0.01 0.00 0.00 55.36 55.11 1oge s GLN 91 Cb 0.07 -2.53 -0.02 0.00 -1.01 0.00 0.00 33.01 29.51 1oge s GLN 91 CO 0.69 0.02 1.17 -2.00 0.01 0.00 0.00 175.29 175.18 1oge s GLU 92 N -4.28 4.34 -0.19 2.91 2.12 -1.25 -4.92 118.70 117.44 1oge s GLU 92 Ca 0.44 1.61 -0.02 0.00 0.36 0.00 0.00 54.97 57.36 1oge s GLU 92 Cb -0.10 -3.59 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 1oge s GLU 92 CO 0.38 -0.47 -0.09 0.42 -0.54 0.00 0.00 175.26 174.96 1oge s ILE 93 N 2.42 3.14 -0.07 -3.70 1.01 -1.26 -0.79 121.20 121.95 1oge s ILE 93 Ca 0.54 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.63 1oge s ILE 93 Cb -0.23 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 1oge s ILE 93 CO 0.19 0.47 -0.16 -0.70 0.00 0.00 0.00 174.94 174.74 1oge s GLU 94 N 1.09 2.76 -0.15 2.79 2.12 -0.13 -4.99 118.70 122.19 1oge s GLU 94 Ca 0.01 -0.74 -0.04 0.00 0.36 0.00 0.00 54.97 54.55 1oge s GLU 94 Cb -0.15 -2.40 -0.03 0.00 0.26 0.00 0.00 34.13 31.81 1oge s GLU 94 CO -0.02 0.46 -0.01 0.71 -0.54 0.00 0.00 175.26 175.86 1oge s TYR 95 N -0.31 3.10 0.34 5.30 1.51 -1.26 -1.18 117.35 124.85 1oge s TYR 95 Ca 0.02 -0.12 0.03 0.00 -1.01 0.00 0.00 57.07 55.99 1oge s TYR 95 Cb -0.13 -1.96 -0.05 0.00 -0.11 0.00 0.00 41.96 39.71 1oge s TYR 95 CO 0.03 0.10 0.08 -0.51 -1.11 0.00 0.00 175.55 174.14 1oge s LEU 96 N 0.16 2.03 0.51 -1.29 1.43 -0.41 -4.79 118.68 116.33 1oge s LEU 96 Ca 0.00 -1.46 -0.20 0.00 -1.03 0.00 0.00 54.13 51.45 1oge s LEU 96 Cb -0.13 -0.24 -0.07 0.00 0.03 0.00 0.00 46.19 45.78 1oge s LEU 96 CO 0.02 -0.71 1.08 -0.94 0.23 0.00 0.00 176.35 176.02 1oge s SER 97 N -3.49 6.06 0.45 2.29 1.04 -1.26 0.12 113.70 118.91 1oge s SER 97 Ca 0.33 2.04 0.18 0.00 0.48 0.00 0.00 55.95 58.98 1oge s SER 97 Cb 0.07 -2.57 1.14 0.00 0.10 0.00 0.00 66.02 64.76 1oge s SER 97 CO 0.15 -0.98 1.94 -0.74 0.98 0.00 0.00 173.24 174.58 1oge h HIS 98 N 1.38 0.37 -0.11 5.02 2.76 -1.93 -0.45 115.15 122.19 1oge h HIS 98 Ca -0.50 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 57.68 1oge h HIS 98 Cb 1.24 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 30.08 1oge h HIS 98 CO 0.54 0.14 0.04 0.93 -1.30 0.00 0.00 177.93 178.28 1oge h GLU 99 N 0.31 0.16 -0.52 5.26 4.39 -2.00 -1.46 114.58 120.73 1oge h GLU 99 Ca 0.35 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.92 1oge h GLU 99 Cb 0.91 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1oge h GLU 99 CO -0.09 0.29 -0.06 1.49 -1.16 0.00 0.00 179.01 179.48 1oge h GLU 100 N -0.00 0.92 -0.30 2.33 4.81 -1.70 -2.74 114.58 117.91 1oge h GLU 100 Ca 0.03 -0.30 0.06 0.00 -0.13 0.00 0.00 59.36 59.03 1oge h GLU 100 Cb 0.19 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 1oge h GLU 100 CO -0.00 0.95 -0.07 0.35 -0.73 0.00 0.00 179.01 179.50 1oge h PHE 101 N 0.84 -0.15 -0.91 0.92 3.57 -0.89 -1.24 116.94 119.07 1oge h PHE 101 Ca 0.15 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.70 1oge h PHE 101 Cb 0.57 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 1oge h PHE 101 CO 0.03 -0.12 0.60 0.87 -2.23 0.00 0.00 178.31 177.46 1oge h LYS 102 N 0.00 1.14 -0.42 1.11 1.57 -1.07 -2.16 116.57 116.74 1oge h LYS 102 Ca 0.14 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1oge h LYS 102 Cb 0.22 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1oge h LYS 102 CO -0.30 0.75 0.20 -0.07 -0.57 0.00 0.00 179.45 179.46 1oge h LEU 103 N 1.17 0.29 -1.98 2.94 4.07 -0.97 -2.37 115.31 118.46 1oge h LEU 103 Ca 0.36 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.32 1oge h LEU 103 Cb -0.03 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 41.68 1oge h LEU 103 CO -0.10 0.21 -0.07 -0.07 -1.08 0.00 0.00 178.44 177.33 1oge h LEU 104 N 0.41 0.00 -1.36 1.67 3.38 -0.67 -2.42 115.31 116.32 1oge h LEU 104 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1oge h LEU 104 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1oge h LEU 104 CO -0.13 0.07 0.00 0.71 0.09 0.00 0.00 178.44 179.18 1oge h THR 105 N 0.00 0.00 0.00 0.22 1.35 -1.13 -1.79 112.91 111.56 1oge h THR 105 Ca -0.00 -0.11 -0.03 0.00 -0.55 0.00 0.00 66.41 65.73 1oge h THR 105 Cb 0.14 0.75 -0.00 0.00 -1.73 0.00 0.00 68.15 67.30 1oge h THR 105 CO 0.01 0.00 -0.13 0.11 -0.25 0.00 0.00 175.52 175.26 1oge h LYS 106 N 0.00 0.00 -0.05 4.72 1.57 -1.54 -2.64 116.57 118.63 1oge h LYS 106 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1oge h LYS 106 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1oge h LYS 106 CO 0.00 0.13 0.00 -0.25 -0.57 0.00 0.00 179.45 178.76 1oge n ASP 107 N -3.57 2.19 -4.79 0.86 8.00 -0.67 -4.93 116.55 113.64 1oge n ASP 107 Ca -0.01 -1.73 -0.33 0.00 0.71 0.00 0.00 54.79 53.42 1oge n ASP 107 Cb 0.27 -0.02 0.01 0.00 -0.02 0.00 0.00 41.12 41.36 1oge n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1oge s ALA 108 N -1.96 2.69 -0.38 2.24 0.00 -1.00 -4.67 121.76 118.68 1oge s ALA 108 Ca 0.34 0.51 0.23 0.00 0.00 0.00 0.00 51.96 53.04 1oge s ALA 108 Cb 0.20 -3.27 0.24 0.00 0.00 0.00 0.00 23.12 20.29 1oge s ALA 108 CO 0.32 -0.84 1.43 0.87 0.00 0.00 0.00 175.76 177.54 1oge h LYS 109 N 0.59 0.00 -1.91 0.00 1.79 -1.06 -3.45 116.57 112.53 1oge h LYS 109 Ca -0.48 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 58.17 1oge h LYS 109 Cb 1.23 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.71 1oge h LYS 109 CO 0.57 0.00 0.64 0.00 -1.08 0.00 0.00 179.45 179.58 1oge s ALA 110 N -3.26 -1.94 -0.12 3.86 0.00 -1.26 -4.17 121.76 114.87 1oge s ALA 110 Ca 0.05 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.27 1oge s ALA 110 Cb 0.06 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.38 1oge s ALA 110 CO 0.71 -0.66 -0.14 0.08 0.00 0.00 0.00 175.76 175.75 1oge s VAL 111 N -2.80 1.45 -0.34 0.00 1.01 -0.16 -0.87 120.40 118.69 1oge s VAL 111 Ca 0.07 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 1oge s VAL 111 Cb -0.01 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1oge s VAL 111 CO -0.07 0.44 0.30 -0.63 0.00 0.00 0.00 175.10 175.14 1oge s ILE 112 N 1.26 5.23 -0.20 2.22 1.01 0.27 -1.30 121.20 129.69 1oge s ILE 112 Ca -0.01 -0.08 -0.19 0.00 0.00 0.00 0.00 60.65 60.37 1oge s ILE 112 Cb -0.14 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1oge s ILE 112 CO -0.06 -0.04 0.55 -0.60 0.00 0.00 0.00 174.94 174.79 1oge s ARG 113 N 1.86 4.19 0.46 2.79 3.52 0.10 -0.48 118.95 131.41 1oge s ARG 113 Ca 0.09 0.47 0.07 0.00 -0.13 0.00 0.00 55.73 56.23 1oge s ARG 113 Cb -0.17 -3.57 0.07 0.00 -1.56 0.00 0.00 34.95 29.72 1oge s ARG 113 CO 0.11 -0.18 0.55 0.25 -0.81 0.00 0.00 175.30 175.22 1oge n THR 114 N 4.61 0.00 -0.21 4.11 -2.24 -0.43 -0.93 114.28 119.18 1oge n THR 114 Ca -0.04 -1.63 0.09 0.00 -2.27 0.00 0.00 64.05 60.20 1oge n THR 114 Cb 0.50 -0.45 0.30 0.00 -2.10 0.00 0.00 70.33 68.58 1oge n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oge n GLY 115 N -0.62 2.23 3.64 3.38 0.00 0.01 -3.58 105.19 110.24 1oge n GLY 115 Ca 0.09 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1oge n GLY 115 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1oge s GLU 116 N -1.55 3.74 -0.66 1.61 2.56 -1.23 0.13 118.70 123.31 1oge s GLU 116 Ca 0.44 2.35 -0.01 0.00 0.00 0.00 0.00 54.97 57.75 1oge s GLU 116 Cb 0.26 -4.24 0.43 0.00 2.00 0.00 0.00 34.13 32.59 1oge s GLU 116 CO 0.25 -1.41 1.93 1.19 -0.56 0.00 0.00 175.26 176.66 1oge n PHE 117 N 9.15 3.14 -4.44 5.30 3.01 -1.26 -1.75 117.46 130.62 1oge n PHE 117 Ca 0.24 -2.81 -0.23 0.00 1.01 0.00 0.00 57.45 55.66 1oge n PHE 117 Cb 0.43 -1.25 -0.13 0.00 -0.01 0.00 0.00 39.48 38.51 1oge n PHE 117 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1oge s THR 118 N -4.88 1.40 0.41 4.37 -4.23 -1.26 -5.06 115.64 106.38 1oge s THR 118 Ca 0.60 -1.17 -0.27 0.00 -1.18 0.00 0.00 61.69 59.68 1oge s THR 118 Cb 0.48 -1.25 -0.10 0.00 1.34 0.00 0.00 72.50 72.97 1oge s THR 118 CO -0.10 0.06 1.45 -2.84 -0.54 0.00 0.00 174.62 172.65 1oge s PRO 119 N -1.29 3.95 -1.30 3.99 0.02 -1.26 -3.62 135.00 135.48 1oge s PRO 119 Ca 0.04 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.54 1oge s PRO 119 Cb -0.09 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.60 1oge s PRO 119 CO 0.02 -0.63 0.00 0.66 -0.33 0.00 0.00 177.00 176.72 1oge n TYR 120 N 0.20 -0.98 -2.07 6.54 4.02 -1.26 -4.62 117.16 118.99 1oge n TYR 120 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 1oge n TYR 120 Cb 0.41 -2.88 0.00 0.00 -0.02 0.00 0.00 39.34 36.85 1oge n TYR 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1oge n ALA 121 N -1.20 5.50 -2.96 -0.72 0.00 -1.24 -4.65 120.51 115.25 1oge n ALA 121 Ca -0.16 -4.13 -0.10 0.00 0.00 0.00 0.00 53.44 49.06 1oge n ALA 121 Cb 0.57 -3.20 -0.12 0.00 0.00 0.00 0.00 19.45 16.70 1oge n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1oge s ASN 122 N 1.78 0.19 0.04 0.00 0.01 -1.26 -2.33 114.94 113.38 1oge s ASN 122 Ca 0.43 -0.40 -0.19 0.00 -0.71 0.00 0.00 52.86 51.99 1oge s ASN 122 Cb 0.12 0.08 0.04 0.00 0.41 0.00 0.00 41.25 41.90 1oge s ASN 122 CO -0.04 -0.24 0.44 0.00 -1.51 0.00 0.00 177.10 175.76 1oge s ILE 124 N -2.46 3.71 -0.26 0.00 1.01 0.48 -1.75 121.20 121.94 1oge s ILE 124 Ca -0.05 -0.41 -0.09 0.00 0.00 0.00 0.00 60.65 60.11 1oge s ILE 124 Cb -0.01 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1oge s ILE 124 CO -0.02 0.46 0.11 -0.76 0.00 0.00 0.00 174.94 174.73 1oge s LEU 125 N 0.76 3.63 -0.28 2.97 1.43 -0.37 -1.16 118.68 125.66 1oge s LEU 125 Ca -0.02 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 1oge s LEU 125 Cb -0.15 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 1oge s LEU 125 CO 0.02 -0.04 0.23 -1.58 0.23 0.00 0.00 176.35 175.21 1oge s GLN 126 N 1.66 3.97 0.29 1.70 0.74 -0.46 -1.88 119.66 125.69 1oge s GLN 126 Ca 0.07 -0.24 -0.30 0.00 0.05 0.00 0.00 55.36 54.93 1oge s GLN 126 Cb -0.15 -3.65 -0.12 0.00 1.10 0.00 0.00 33.01 30.18 1oge s GLN 126 CO 0.06 -0.19 1.48 0.00 -0.55 0.00 0.00 175.29 176.09 1oge n ALA 127 N 5.08 1.90 -2.21 1.58 0.00 0.72 -1.45 120.51 126.12 1oge n ALA 127 Ca -0.13 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1oge n ALA 127 Cb 0.52 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1oge n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oge n GLY 128 N 1.74 1.81 3.15 0.00 0.00 0.30 -1.24 105.19 110.95 1oge n GLY 128 Ca 0.08 -2.05 -0.21 0.00 0.00 0.00 0.00 46.02 43.84 1oge n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oge s VAL 129 N 1.66 1.18 -1.55 1.61 0.11 -1.26 -4.36 120.40 117.79 1oge s VAL 129 Ca 0.00 -1.00 0.30 0.00 -2.93 0.00 0.00 61.98 58.36 1oge s VAL 129 Cb 0.00 -1.06 0.60 0.00 -1.53 0.00 0.00 36.38 34.39 1oge s VAL 129 CO 0.00 0.05 2.08 0.18 -3.33 0.00 0.00 175.10 174.08 1oge n LEU 130 N 1.95 0.00 0.00 2.54 4.77 -1.26 -5.09 117.00 119.91 1oge n LEU 130 Ca -0.18 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1oge n LEU 130 Cb 0.55 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1oge n LEU 130 CO 0.23 -0.00 0.00 2.22 -1.33 0.00 0.00 177.39 178.51