#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d0g s SER 22 N 0.00 2.34 -0.51 6.43 0.15 -1.26 -3.20 113.70 117.65 1d0g s SER 22 Ca 0.00 -0.41 -0.28 0.00 0.70 0.00 0.00 55.95 55.96 1d0g s SER 22 Cb 0.00 -1.07 -0.01 0.00 -1.71 0.00 0.00 66.02 63.24 1d0g s SER 22 CO 0.00 0.07 1.67 -2.84 1.20 0.00 0.00 173.24 173.33 1d0g s PRO 23 N 0.65 3.10 -0.12 5.44 0.02 -1.26 -4.83 135.00 138.00 1d0g s PRO 23 Ca -0.14 0.79 -0.26 0.00 0.02 0.00 0.00 61.00 61.42 1d0g s PRO 23 Cb -0.16 -4.23 -0.02 0.00 0.02 0.00 0.00 34.50 30.11 1d0g s PRO 23 CO 0.04 -2.16 0.84 -1.12 -0.33 0.00 0.00 177.00 174.27 1d0g s SER 24 N 6.08 7.05 -1.38 2.53 0.01 -0.42 -4.09 113.70 123.48 1d0g s SER 24 Ca 0.65 1.29 -0.08 0.00 1.31 0.00 0.00 55.95 59.12 1d0g s SER 24 Cb -0.15 -2.47 0.05 0.00 0.21 0.00 0.00 66.02 63.66 1d0g s SER 24 CO 0.26 -0.32 0.54 1.21 0.41 0.00 0.00 173.24 175.34 1d0g n GLU 25 N 4.70 -4.00 -0.64 12.44 4.07 -1.26 -1.78 120.64 134.16 1d0g n GLU 25 Ca 0.04 0.63 0.00 0.00 -0.06 0.00 0.00 57.16 57.77 1d0g n GLU 25 Cb 0.50 -5.40 0.00 0.00 -0.06 0.00 0.00 31.44 26.48 1d0g n GLU 25 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1d0g n GLY 26 N -1.31 0.93 3.40 8.31 0.00 -1.26 -5.04 105.19 110.22 1d0g n GLY 26 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 1d0g n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d0g s LEU 27 N 0.00 2.57 0.06 0.99 1.43 -0.73 -4.70 118.68 118.29 1d0g s LEU 27 Ca 0.00 -1.02 0.05 0.00 -1.03 0.00 0.00 54.13 52.13 1d0g s LEU 27 Cb 0.00 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 1d0g s LEU 27 CO 0.00 -0.07 -0.05 0.00 0.23 0.00 0.00 176.35 176.46 1d0g s PRO 29 N -1.90 1.53 0.45 0.00 0.04 -1.26 -0.13 135.00 133.74 1d0g s PRO 29 Ca 0.21 0.60 -0.24 0.00 0.04 0.00 0.00 61.00 61.62 1d0g s PRO 29 Cb -0.11 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 1d0g s PRO 29 CO 0.13 -1.99 1.10 -2.30 0.04 0.00 0.00 177.00 173.97 1d0g n PRO 30 N -3.68 1.48 -0.63 0.56 -0.02 -1.26 -2.29 135.00 129.17 1d0g n PRO 30 Ca 0.07 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1d0g n PRO 30 Cb 0.57 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1d0g n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d0g n GLY 31 N 1.06 0.68 3.52 -1.23 0.00 -0.03 -4.90 105.19 104.29 1d0g n GLY 31 Ca 0.09 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1d0g n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1d0g s HIS 32 N -2.00 0.55 0.07 1.61 3.76 -0.97 -1.05 115.29 117.26 1d0g s HIS 32 Ca 0.00 -0.88 -0.01 0.00 -0.15 0.00 0.00 55.06 54.02 1d0g s HIS 32 Cb 0.00 0.06 -0.04 0.00 1.11 0.00 0.00 32.58 33.71 1d0g s HIS 32 CO 0.00 -0.96 -0.02 -3.38 -0.85 0.00 0.00 174.74 169.53 1d0g s HIS 33 N -3.93 0.60 0.22 1.40 -3.43 0.71 -4.80 115.29 106.06 1d0g s HIS 33 Ca 0.26 -1.09 -0.12 0.00 -0.80 0.00 0.00 55.06 53.31 1d0g s HIS 33 Cb 0.01 -0.42 -0.07 0.00 -1.43 0.00 0.00 32.58 30.67 1d0g s HIS 33 CO 0.11 -0.39 0.58 -1.50 -2.00 0.00 0.00 174.74 171.54 1d0g s ILE 34 N -3.92 4.87 0.71 -5.38 2.07 -0.56 -0.28 121.20 118.71 1d0g s ILE 34 Ca 0.10 0.65 -0.11 0.00 -1.41 0.00 0.00 60.65 59.88 1d0g s ILE 34 Cb 0.08 -3.65 0.02 0.00 0.13 0.00 0.00 42.46 39.03 1d0g s ILE 34 CO -0.08 0.00 1.08 -0.94 -1.91 0.00 0.00 174.94 173.10 1d0g s SER 35 N -2.16 5.34 0.19 4.50 1.04 0.08 -4.36 113.70 118.34 1d0g s SER 35 Ca 0.46 1.30 -0.20 0.00 0.48 0.00 0.00 55.95 57.99 1d0g s SER 35 Cb -0.12 -2.14 0.14 0.00 0.10 0.00 0.00 66.02 64.00 1d0g s SER 35 CO 0.20 -1.43 1.59 -0.33 0.98 0.00 0.00 173.24 174.26 1d0g h GLU 36 N -0.71 -0.14 0.00 4.02 4.39 -1.91 0.52 114.58 120.75 1d0g h GLU 36 Ca -0.45 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.21 1d0g h GLU 36 Cb 1.24 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1d0g h GLU 36 CO 0.61 -0.09 -0.24 0.38 -1.16 0.00 0.00 179.01 178.51 1d0g h ASP 37 N -0.14 0.00 0.00 1.42 2.03 -1.96 -3.47 116.42 114.30 1d0g h ASP 37 Ca 0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 1d0g h ASP 37 Cb 0.54 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 1d0g h ASP 37 CO -0.67 0.24 0.00 0.61 -1.03 0.00 0.00 179.24 178.39 1d0g n GLY 38 N -0.68 0.77 0.06 7.15 0.00 0.17 -4.94 105.19 107.72 1d0g n GLY 38 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1d0g n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1d0g n ARG 39 N -2.36 0.15 -4.06 1.61 3.00 -1.26 -4.88 116.66 108.86 1d0g n ARG 39 Ca 0.00 -0.12 -0.13 0.00 -0.00 0.00 0.00 57.85 57.60 1d0g n ARG 39 Cb 0.00 -1.50 -0.11 0.00 0.00 0.00 0.00 32.46 30.85 1d0g n ARG 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1d0g s ASP 40 N -2.93 0.85 -0.27 6.15 1.01 -1.26 -4.63 116.67 115.59 1d0g s ASP 40 Ca 0.11 -0.55 -0.08 0.00 0.71 0.00 0.00 52.55 52.73 1d0g s ASP 40 Cb 0.17 0.04 -0.02 0.00 1.01 0.00 0.00 42.92 44.12 1d0g s ASP 40 CO 0.77 -0.21 0.10 0.00 0.21 0.00 0.00 175.17 176.04 1d0g s ILE 42 N 1.61 4.92 0.30 0.00 1.01 0.61 -3.70 121.20 125.95 1d0g s ILE 42 Ca 0.05 -0.01 -0.28 0.00 0.00 0.00 0.00 60.65 60.41 1d0g s ILE 42 Cb -0.16 -3.13 -0.09 0.00 0.01 0.00 0.00 42.46 39.09 1d0g s ILE 42 CO 0.04 0.59 1.10 -0.55 0.00 0.00 0.00 174.94 176.12 1d0g s SER 43 N -0.73 7.14 0.74 3.58 0.15 -1.26 -0.21 113.70 123.12 1d0g s SER 43 Ca 0.12 2.25 -0.12 0.00 0.70 0.00 0.00 55.95 58.90 1d0g s SER 43 Cb -0.12 -2.62 0.04 0.00 -1.71 0.00 0.00 66.02 61.61 1d0g s SER 43 CO 0.03 -0.23 1.10 0.00 1.20 0.00 0.00 173.24 175.34 1d0g s LYS 45 N -4.65 4.01 0.17 0.00 2.20 -1.26 -4.92 119.74 115.29 1d0g s LYS 45 Ca 0.63 0.24 -0.33 0.00 -0.36 0.00 0.00 55.97 56.15 1d0g s LYS 45 Cb -0.18 -3.67 -0.13 0.00 -1.51 0.00 0.00 37.83 32.34 1d0g s LYS 45 CO 0.51 -0.38 1.67 0.98 -0.36 0.00 0.00 175.35 177.77 1d0g n TYR 46 N 5.56 2.51 0.00 4.03 4.19 -1.26 -1.28 117.16 130.90 1d0g n TYR 46 Ca -0.04 0.13 0.00 0.00 3.31 0.00 0.00 57.90 61.29 1d0g n TYR 46 Cb 0.50 -2.62 0.00 0.00 0.49 0.00 0.00 39.34 37.71 1d0g n TYR 46 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1d0g n GLY 47 N 3.75 3.07 0.11 2.98 0.00 -1.21 -4.82 105.19 109.06 1d0g n GLY 47 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1d0g n GLY 47 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1d0g n GLN 48 N -1.38 0.55 -4.23 1.61 7.27 -0.40 -4.82 117.38 115.97 1d0g n GLN 48 Ca 0.00 0.27 -0.16 0.00 0.07 0.00 0.00 57.00 57.18 1d0g n GLN 48 Cb 0.00 -1.49 -0.09 0.00 2.41 0.00 0.00 30.24 31.08 1d0g n GLN 48 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 1d0g s ASP 49 N -6.57 0.93 0.35 1.69 1.47 -0.47 -1.44 116.67 112.63 1d0g s ASP 49 Ca -0.32 -1.57 -0.17 0.00 1.18 0.00 0.00 52.55 51.67 1d0g s ASP 49 Cb 0.08 0.48 0.04 0.00 -0.34 0.00 0.00 42.92 43.19 1d0g s ASP 49 CO 0.45 -0.98 0.76 -0.72 0.68 0.00 0.00 175.17 175.36 1d0g s TYR 50 N -3.76 0.04 -0.28 2.11 1.13 0.91 -4.14 117.35 113.37 1d0g s TYR 50 Ca 0.39 -0.64 -0.12 0.00 -1.41 0.00 0.00 57.07 55.29 1d0g s TYR 50 Cb 0.04 0.77 0.11 0.00 -1.10 0.00 0.00 41.96 41.78 1d0g s TYR 50 CO 0.20 -1.45 0.64 -1.54 -2.51 0.00 0.00 175.55 170.88 1d0g s SER 51 N -3.03 -0.99 0.00 -0.18 1.04 -0.62 -0.69 113.70 109.24 1d0g s SER 51 Ca 0.14 1.49 0.21 0.00 0.48 0.00 0.00 55.95 58.27 1d0g s SER 51 Cb -0.05 1.86 -0.05 0.00 0.10 0.00 0.00 66.02 67.88 1d0g s SER 51 CO 0.10 -0.23 0.99 0.35 0.98 0.00 0.00 173.24 175.44 1d0g n THR 52 N 5.01 0.00 -4.29 2.02 -2.24 -1.26 -0.85 114.28 112.67 1d0g n THR 52 Ca -0.15 -0.23 -0.16 0.00 -2.27 0.00 0.00 64.05 61.24 1d0g n THR 52 Cb 0.53 1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 69.85 1d0g n THR 52 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1d0g s HIS 53 N -2.44 1.44 0.34 4.78 3.76 -1.26 -4.77 115.29 117.14 1d0g s HIS 53 Ca 0.15 -0.75 -0.29 0.00 -0.15 0.00 0.00 55.06 54.02 1d0g s HIS 53 Cb 0.16 -0.74 -0.11 0.00 1.11 0.00 0.00 32.58 33.00 1d0g s HIS 53 CO 0.59 0.12 1.49 0.91 -0.85 0.00 0.00 174.74 177.00 1d0g n TRP 54 N -0.29 2.83 -3.90 1.40 7.02 -1.26 -4.03 117.44 119.20 1d0g n TRP 54 Ca -0.09 0.40 -0.08 0.00 -1.02 0.00 0.00 57.50 56.72 1d0g n TRP 54 Cb 0.61 -2.53 -0.03 0.00 -2.42 0.00 0.00 31.31 26.94 1d0g n TRP 54 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1d0g s ASN 55 N 0.05 -0.19 -0.21 -0.99 2.20 0.82 -4.90 114.94 111.72 1d0g s ASN 55 Ca 0.57 -0.74 0.13 0.00 -0.94 0.00 0.00 52.86 51.89 1d0g s ASN 55 Cb -0.50 0.69 0.45 0.00 -2.00 0.00 0.00 41.25 39.89 1d0g s ASN 55 CO 0.58 -1.30 1.19 -0.90 -2.94 0.00 0.00 177.10 173.73 1d0g n ASP 56 N -0.48 2.70 -4.75 3.54 5.75 -1.26 -0.08 116.55 121.97 1d0g n ASP 56 Ca -0.03 -3.32 -0.41 0.00 -0.01 0.00 0.00 54.79 51.02 1d0g n ASP 56 Cb 0.60 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 40.24 1d0g n ASP 56 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1d0g s LEU 57 N -2.97 4.45 0.00 -2.12 1.43 -1.26 -4.77 118.68 113.44 1d0g s LEU 57 Ca 0.40 2.45 0.27 0.00 -1.03 0.00 0.00 54.13 56.22 1d0g s LEU 57 Cb 0.38 -3.62 1.27 0.00 0.03 0.00 0.00 46.19 44.25 1d0g s LEU 57 CO -0.04 -0.45 1.90 0.18 0.23 0.00 0.00 176.35 178.17 1d0g n LEU 58 N 1.84 0.00 -3.48 1.79 4.77 -1.26 -1.50 117.00 119.17 1d0g n LEU 58 Ca 0.03 0.38 -0.11 0.00 -0.03 0.00 0.00 56.01 56.28 1d0g n LEU 58 Cb 0.43 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1d0g n LEU 58 CO 0.57 -0.03 0.56 0.72 -1.33 0.00 0.00 177.39 177.88 1d0g s PHE 59 N -2.76 -0.45 0.49 -1.77 -0.12 -1.26 -4.80 117.98 107.31 1d0g s PHE 59 Ca 0.20 0.35 -0.18 0.00 -0.05 0.00 0.00 56.93 57.25 1d0g s PHE 59 Cb 0.18 0.53 -0.09 0.00 -0.63 0.00 0.00 43.02 43.01 1d0g s PHE 59 CO 0.45 -0.66 0.98 0.00 -0.05 0.00 0.00 175.22 175.94 1d0g s LEU 61 N -3.78 4.42 0.31 0.00 1.43 0.14 -4.68 118.68 116.52 1d0g s LEU 61 Ca 0.60 1.93 -0.29 0.00 -1.03 0.00 0.00 54.13 55.34 1d0g s LEU 61 Cb -0.10 -3.89 -0.10 0.00 0.03 0.00 0.00 46.19 42.13 1d0g s LEU 61 CO 0.25 -0.06 1.28 -0.13 0.23 0.00 0.00 176.35 177.92 1d0g s ARG 62 N -1.81 4.40 0.38 1.70 0.52 -1.26 -0.06 118.95 122.82 1d0g s ARG 62 Ca 0.48 2.13 -0.26 0.00 -0.52 0.00 0.00 55.73 57.56 1d0g s ARG 62 Cb -0.22 -3.10 -0.09 0.00 0.52 0.00 0.00 34.95 32.06 1d0g s ARG 62 CO 0.28 -0.14 1.22 0.00 0.02 0.00 0.00 175.30 176.69 1d0g s THR 64 N -1.30 3.74 -0.20 0.00 2.01 -1.26 -5.01 115.64 113.61 1d0g s THR 64 Ca 0.55 1.51 -0.06 0.00 0.31 0.00 0.00 61.69 63.99 1d0g s THR 64 Cb -0.34 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 1d0g s THR 64 CO 0.44 0.18 0.03 -0.60 -0.69 0.00 0.00 174.62 173.99 1d0g s ARG 65 N -1.98 3.76 0.53 4.92 3.52 -1.26 -4.71 118.95 123.74 1d0g s ARG 65 Ca 0.51 -0.45 -0.20 0.00 -0.13 0.00 0.00 55.73 55.46 1d0g s ARG 65 Cb -0.25 -3.15 -0.06 0.00 -1.56 0.00 0.00 34.95 29.93 1d0g s ARG 65 CO 0.32 0.10 1.16 0.00 -0.81 0.00 0.00 175.30 176.07 1d0g n ASP 67 N -1.14 -1.32 0.16 0.00 8.00 -1.26 -4.93 116.55 116.05 1d0g n ASP 67 Ca 0.11 -1.08 0.03 0.00 0.71 0.00 0.00 54.79 54.56 1d0g n ASP 67 Cb 0.50 -0.73 0.20 0.00 -0.02 0.00 0.00 41.12 41.07 1d0g n ASP 67 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1d0g h SER 68 N -2.00 0.00 -0.46 -2.24 4.64 -2.02 -2.88 113.55 108.59 1d0g h SER 68 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1d0g h SER 68 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1d0g h SER 68 CO 0.20 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 1d0g n GLY 69 N 0.55 1.53 3.38 -0.77 0.00 -1.26 -4.92 105.19 103.70 1d0g n GLY 69 Ca 0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 1d0g n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1d0g s GLU 70 N -1.52 1.42 0.23 1.61 2.02 -1.09 -1.24 118.70 120.13 1d0g s GLU 70 Ca 0.33 -1.70 0.10 0.00 0.02 0.00 0.00 54.97 53.72 1d0g s GLU 70 Cb 0.19 -1.00 -0.05 0.00 0.10 0.00 0.00 34.13 33.38 1d0g s GLU 70 CO 0.20 0.04 -0.19 0.14 0.02 0.00 0.00 175.26 175.47 1d0g s VAL 71 N -3.11 2.13 -0.65 2.63 -7.23 0.57 -4.70 120.40 110.04 1d0g s VAL 71 Ca 0.27 -2.21 -0.24 0.00 -1.81 0.00 0.00 61.98 57.99 1d0g s VAL 71 Cb 0.03 -2.12 0.06 0.00 0.56 0.00 0.00 36.38 34.91 1d0g s VAL 71 CO 0.09 -0.40 1.02 -0.70 -0.31 0.00 0.00 175.10 174.80 1d0g s GLU 72 N -3.30 3.17 0.09 4.82 2.12 -1.26 -1.74 118.70 122.61 1d0g s GLU 72 Ca 0.24 -0.60 -0.19 0.00 0.36 0.00 0.00 54.97 54.78 1d0g s GLU 72 Cb -0.04 -4.18 -0.08 0.00 0.26 0.00 0.00 34.13 30.09 1d0g s GLU 72 CO 0.10 -1.80 1.60 1.25 -0.54 0.00 0.00 175.26 175.87 1d0g h LEU 73 N 11.56 0.34 -7.87 2.70 6.46 -1.25 -3.45 115.31 123.81 1d0g h LEU 73 Ca -0.28 -0.21 -0.29 0.00 -0.12 0.00 0.00 57.88 56.98 1d0g h LEU 73 Cb 1.07 -0.09 -0.28 0.00 -0.73 0.00 0.00 40.66 40.63 1d0g h LEU 73 CO 1.18 0.46 -0.74 -0.44 -0.62 0.00 0.00 178.44 178.28 1d0g s SER 74 N -5.73 0.43 0.66 1.25 0.01 -1.07 -4.98 113.70 104.27 1d0g s SER 74 Ca -0.14 -0.10 -0.12 0.00 1.31 0.00 0.00 55.95 56.91 1d0g s SER 74 Cb 0.08 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 1d0g s SER 74 CO 0.72 0.02 1.05 -2.16 0.41 0.00 0.00 173.24 173.29 1d0g s PRO 75 N -0.19 3.18 -0.12 12.44 0.04 -1.26 -1.42 135.00 147.68 1d0g s PRO 75 Ca 0.00 0.95 -0.28 0.00 0.04 0.00 0.00 61.00 61.71 1d0g s PRO 75 Cb -0.02 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1d0g s PRO 75 CO -0.00 -0.91 0.93 0.00 0.04 0.00 0.00 177.00 177.07 1d0g s THR 77 N 1.91 2.05 0.63 0.00 -4.23 0.12 -3.33 115.64 112.79 1d0g s THR 77 Ca 0.45 -1.60 0.44 0.00 -1.18 0.00 0.00 61.69 59.80 1d0g s THR 77 Cb -0.18 -2.65 0.44 0.00 1.34 0.00 0.00 72.50 71.46 1d0g s THR 77 CO 0.17 0.00 2.35 0.71 -0.54 0.00 0.00 174.62 177.31 1d0g h THR 78 N 1.13 0.01 -0.00 3.99 1.35 -1.88 -2.78 112.91 114.74 1d0g h THR 78 Ca -0.41 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1d0g h THR 78 Cb 1.28 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1d0g h THR 78 CO 0.64 0.00 -0.05 0.35 -0.25 0.00 0.00 175.52 176.21 1d0g n THR 79 N -3.10 0.00 -3.72 6.82 -2.24 -1.26 -1.59 114.28 109.19 1d0g n THR 79 Ca -0.03 -0.47 -0.18 0.00 -2.27 0.00 0.00 64.05 61.10 1d0g n THR 79 Cb 0.09 1.04 -0.17 0.00 -2.10 0.00 0.00 70.33 69.19 1d0g n THR 79 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1d0g s ARG 80 N -0.64 -0.05 0.39 -0.78 3.52 -1.05 -4.21 118.95 116.12 1d0g s ARG 80 Ca 0.03 0.28 -0.26 0.00 -0.13 0.00 0.00 55.73 55.65 1d0g s ARG 80 Cb 0.02 -0.38 -0.09 0.00 -1.56 0.00 0.00 34.95 32.94 1d0g s ARG 80 CO 0.07 -0.25 1.22 1.21 -0.81 0.00 0.00 175.30 176.74 1d0g s ASN 81 N 1.62 6.53 0.57 -2.12 3.04 -1.26 0.12 114.94 123.44 1d0g s ASN 81 Ca -0.02 2.47 -0.19 0.00 0.04 0.00 0.00 52.86 55.16 1d0g s ASN 81 Cb -0.13 -2.63 -0.06 0.00 -1.54 0.00 0.00 41.25 36.90 1d0g s ASN 81 CO -0.03 -0.68 0.95 1.07 -3.04 0.00 0.00 177.10 175.37 1d0g n THR 82 N 0.24 3.42 -3.95 -5.21 5.66 -1.26 -4.77 114.28 108.41 1d0g n THR 82 Ca 0.03 -0.50 -0.35 0.00 -3.05 0.00 0.00 64.05 60.18 1d0g n THR 82 Cb 0.45 -1.13 -0.13 0.00 -1.55 0.00 0.00 70.33 67.96 1d0g n THR 82 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1d0g s VAL 83 N -1.49 3.84 -0.02 1.08 1.01 -0.51 -4.85 120.40 119.46 1d0g s VAL 83 Ca 0.73 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.40 1d0g s VAL 83 Cb -0.44 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1d0g s VAL 83 CO 0.49 0.41 -0.09 0.00 0.00 0.00 0.00 175.10 175.91 1d0g s GLN 85 N -1.13 0.32 0.50 0.00 0.74 -0.71 -4.88 119.66 114.50 1d0g s GLN 85 Ca 0.15 -0.26 -0.23 0.00 0.05 0.00 0.00 55.36 55.07 1d0g s GLN 85 Cb -0.11 -0.24 -0.07 0.00 1.10 0.00 0.00 33.01 33.69 1d0g s GLN 85 CO 0.04 0.06 1.30 0.00 -0.55 0.00 0.00 175.29 176.15 1d0g s GLU 87 N -2.61 2.79 0.24 0.00 2.12 -0.38 -4.69 118.70 116.18 1d0g s GLU 87 Ca 0.67 1.46 -0.31 0.00 0.36 0.00 0.00 54.97 57.16 1d0g s GLU 87 Cb -0.45 -1.94 -0.14 0.00 0.26 0.00 0.00 34.13 31.86 1d0g s GLU 87 CO 0.53 -1.27 1.21 -1.91 -0.54 0.00 0.00 175.26 173.28 1d0g n GLU 88 N -2.31 1.59 -0.17 4.30 2.13 -1.26 -1.68 120.64 123.23 1d0g n GLU 88 Ca 0.11 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.49 1d0g n GLU 88 Cb 0.52 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.14 1d0g n GLU 88 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1d0g n GLY 89 N 1.73 0.78 3.16 8.31 0.00 -1.26 -5.04 105.19 112.87 1d0g n GLY 89 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 1d0g n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1d0g s THR 90 N -2.48 0.68 0.18 2.61 -4.23 -0.68 -1.40 115.64 110.31 1d0g s THR 90 Ca 0.00 -1.86 -0.09 0.00 -1.18 0.00 0.00 61.69 58.56 1d0g s THR 90 Cb 0.00 -1.59 -0.01 0.00 1.34 0.00 0.00 72.50 72.24 1d0g s THR 90 CO 0.00 -0.83 0.29 0.72 -0.54 0.00 0.00 174.62 174.26 1d0g s PHE 91 N -3.43 0.46 0.17 3.99 -0.71 0.73 -4.34 117.98 114.85 1d0g s PHE 91 Ca 0.10 -0.81 0.02 0.00 -1.04 0.00 0.00 56.93 55.19 1d0g s PHE 91 Cb 0.04 -0.07 -0.05 0.00 -1.21 0.00 0.00 43.02 41.73 1d0g s PHE 91 CO -0.04 -0.74 -0.00 1.03 -1.34 0.00 0.00 175.22 174.12 1d0g s ARG 92 N -3.99 1.09 0.34 1.99 0.52 -0.33 -0.20 118.95 118.37 1d0g s ARG 92 Ca 0.20 -1.52 -0.11 0.00 -0.52 0.00 0.00 55.73 53.78 1d0g s ARG 92 Cb 0.03 -0.25 0.02 0.00 0.52 0.00 0.00 34.95 35.28 1d0g s ARG 92 CO 0.02 -0.13 0.63 -1.83 0.02 0.00 0.00 175.30 174.01 1d0g s GLU 93 N -3.91 1.98 0.27 3.54 -1.05 -1.24 -4.25 118.70 114.04 1d0g s GLU 93 Ca 0.23 -1.49 -0.03 0.00 -0.15 0.00 0.00 54.97 53.54 1d0g s GLU 93 Cb 0.06 0.54 0.59 0.00 -0.44 0.00 0.00 34.13 34.87 1d0g s GLU 93 CO 0.03 -0.88 1.62 1.49 0.95 0.00 0.00 175.26 178.47 1d0g h GLU 94 N 2.08 0.09 -0.08 -4.83 4.81 -2.01 -0.27 114.58 114.37 1d0g h GLU 94 Ca -0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1d0g h GLU 94 Cb 1.25 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1d0g h GLU 94 CO 0.38 0.06 0.00 -0.25 -0.73 0.00 0.00 179.01 178.47 1d0g n ASP 95 N -5.37 1.40 -3.06 1.04 8.00 -1.26 -4.20 116.55 113.09 1d0g n ASP 95 Ca 0.18 -1.55 -0.17 0.00 0.71 0.00 0.00 54.79 53.96 1d0g n ASP 95 Cb 0.60 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.64 1d0g n ASP 95 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1d0g n SER 96 N 0.11 1.21 0.01 -2.24 3.41 -0.12 -4.91 113.62 111.09 1d0g n SER 96 Ca 0.18 -3.00 0.14 0.00 -0.26 0.00 0.00 58.87 55.93 1d0g n SER 96 Cb 0.31 -0.60 0.58 0.00 -0.26 0.00 0.00 64.21 64.25 1d0g n SER 96 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1d0g n PRO 97 N 0.17 0.02 0.12 4.33 -0.04 -1.14 -3.70 135.00 134.76 1d0g n PRO 97 Ca 0.22 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.50 1d0g n PRO 97 Cb 0.68 -1.52 -0.15 0.00 -0.04 0.00 0.00 33.50 32.47 1d0g n PRO 97 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1d0g h GLU 98 N 0.00 0.39 -3.05 0.54 4.57 -1.90 -3.47 114.58 111.65 1d0g h GLU 98 Ca 0.00 -0.66 -0.17 0.00 -1.18 0.00 0.00 59.36 57.34 1d0g h GLU 98 Cb 0.51 0.25 -0.27 0.00 -0.16 0.00 0.00 28.75 29.08 1d0g h GLU 98 CO 0.00 1.31 -0.44 1.41 -1.18 0.00 0.00 179.01 180.11 1d0g s MET 99 N -2.63 0.27 0.38 1.92 1.75 -1.26 -5.14 119.30 114.59 1d0g s MET 99 Ca -0.07 0.45 -0.27 0.00 -1.25 0.00 0.00 55.69 54.56 1d0g s MET 99 Cb 0.06 0.03 -0.09 0.00 2.84 0.00 0.00 34.83 37.66 1d0g s MET 99 CO 0.91 -0.10 1.27 0.00 -0.65 0.00 0.00 175.02 176.45 1d0g s ARG 101 N -2.11 2.77 -0.07 0.00 0.52 0.72 -4.85 118.95 115.93 1d0g s ARG 101 Ca 0.54 -0.62 -0.30 0.00 -0.52 0.00 0.00 55.73 54.84 1d0g s ARG 101 Cb -0.37 -2.66 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 1d0g s ARG 101 CO 0.47 0.62 1.29 0.21 0.02 0.00 0.00 175.30 177.92 1d0g s LYS 102 N -1.53 4.29 0.30 3.54 2.20 -1.26 -0.19 119.74 127.09 1d0g s LYS 102 Ca 0.19 1.76 -0.29 0.00 -0.36 0.00 0.00 55.97 57.28 1d0g s LYS 102 Cb -0.11 -3.64 -0.10 0.00 -1.51 0.00 0.00 37.83 32.47 1d0g s LYS 102 CO 0.10 -0.57 1.15 0.00 -0.36 0.00 0.00 175.35 175.66 1d0g n ARG 104 N 1.01 2.51 0.04 0.00 1.74 -1.26 -4.89 116.66 115.81 1d0g n ARG 104 Ca -0.00 0.89 0.13 0.00 -0.77 0.00 0.00 57.85 58.10 1d0g n ARG 104 Cb 0.44 -2.60 0.51 0.00 -1.02 0.00 0.00 32.46 29.79 1d0g n ARG 104 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1d0g n THR 105 N 1.30 0.20 -3.50 0.55 -2.24 -1.26 -4.70 114.28 104.64 1d0g n THR 105 Ca 0.06 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.65 1d0g n THR 105 Cb 0.36 -0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.11 1d0g n THR 105 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1d0g s GLY 106 N -3.21 -0.46 0.83 3.38 0.00 -1.26 -5.18 107.32 101.42 1d0g s GLY 106 Ca 0.12 1.07 -0.12 0.00 0.00 0.00 0.00 44.72 45.80 1d0g s GLY 106 CO 0.57 0.40 1.12 0.00 0.00 0.00 0.00 173.10 175.19 1d0g s PRO 108 N -5.27 1.73 0.25 0.00 0.02 -1.26 -4.95 135.00 125.52 1d0g s PRO 108 Ca 0.62 0.33 -0.31 0.00 0.02 0.00 0.00 61.00 61.66 1d0g s PRO 108 Cb -0.14 -1.90 -0.11 0.00 0.02 0.00 0.00 34.50 32.37 1d0g s PRO 108 CO 0.53 -1.80 1.59 1.03 -0.33 0.00 0.00 177.00 178.02 1d0g s ARG 109 N -5.34 4.16 0.00 5.54 0.52 -1.26 -2.10 118.95 120.47 1d0g s ARG 109 Ca 0.62 2.51 0.00 0.00 -0.52 0.00 0.00 55.73 58.34 1d0g s ARG 109 Cb -0.13 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.27 1d0g s ARG 109 CO 0.52 -0.62 0.00 0.41 0.02 0.00 0.00 175.30 175.63 1d0g n GLY 110 N 2.74 0.78 3.67 -3.53 0.00 -1.26 -5.00 105.19 102.59 1d0g n GLY 110 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1d0g n GLY 110 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1d0g s MET 111 N -0.33 2.06 0.02 1.61 -1.94 -0.89 0.13 119.30 119.96 1d0g s MET 111 Ca 0.00 -2.03 -0.05 0.00 -1.71 0.00 0.00 55.69 51.89 1d0g s MET 111 Cb 0.00 -1.75 -0.01 0.00 2.01 0.00 0.00 34.83 35.08 1d0g s MET 111 CO 0.00 -0.09 0.09 0.14 -0.01 0.00 0.00 175.02 175.15 1d0g s VAL 112 N -2.68 0.11 0.28 -6.03 -7.23 0.20 -4.80 120.40 100.25 1d0g s VAL 112 Ca 0.36 -0.95 -0.30 0.00 -1.81 0.00 0.00 61.98 59.28 1d0g s VAL 112 Cb 0.08 -0.66 -0.11 0.00 0.56 0.00 0.00 36.38 36.25 1d0g s VAL 112 CO 0.19 -0.52 1.57 -0.54 -0.31 0.00 0.00 175.10 175.49 1d0g s LYS 113 N -2.06 4.15 0.00 4.82 -0.14 -1.26 -2.31 119.74 122.94 1d0g s LYS 113 Ca -0.10 2.53 0.00 0.00 -1.36 0.00 0.00 55.97 57.04 1d0g s LYS 113 Cb -0.04 -3.04 0.00 0.00 -1.68 0.00 0.00 37.83 33.07 1d0g s LYS 113 CO -0.02 -0.60 0.00 0.28 -0.76 0.00 0.00 175.35 174.25 1d0g n VAL 114 N 2.25 0.00 -4.07 3.17 0.31 0.20 -4.91 118.33 115.28 1d0g n VAL 114 Ca 0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.26 1d0g n VAL 114 Cb 0.38 -0.27 -0.15 0.00 -0.91 0.00 0.00 33.84 32.89 1d0g n VAL 114 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1d0g s GLY 115 N -2.03 0.22 0.74 2.92 0.00 -1.04 -4.93 107.32 103.21 1d0g s GLY 115 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 44.72 44.51 1d0g s GLY 115 CO 0.00 0.01 1.10 0.99 0.00 0.00 0.00 173.10 175.21 1d0g s ASP 116 N 0.15 4.90 -0.09 1.64 1.01 -1.26 -0.77 116.67 122.25 1d0g s ASP 116 Ca -0.01 0.81 -0.30 0.00 0.71 0.00 0.00 52.55 53.76 1d0g s ASP 116 Cb -0.04 -1.45 -0.03 0.00 1.01 0.00 0.00 42.92 42.40 1d0g s ASP 116 CO -0.00 -1.63 1.37 0.00 0.21 0.00 0.00 175.17 175.11 1d0g s THR 118 N 3.19 1.78 -0.84 0.00 -4.23 -0.41 -4.88 115.64 110.25 1d0g s THR 118 Ca 0.61 -1.95 0.15 0.00 -1.18 0.00 0.00 61.69 59.31 1d0g s THR 118 Cb -0.27 -2.73 0.13 0.00 1.34 0.00 0.00 72.50 70.98 1d0g s THR 118 CO 0.21 0.00 1.46 -2.65 -0.54 0.00 0.00 174.62 173.10 1d0g n PRO 119 N -1.11 0.05 -0.06 3.99 -0.02 -1.26 -2.87 135.00 133.71 1d0g n PRO 119 Ca -0.09 0.35 0.04 0.00 -2.02 0.00 0.00 63.50 61.78 1d0g n PRO 119 Cb 0.67 -1.61 0.06 0.00 -0.02 0.00 0.00 33.50 32.60 1d0g n PRO 119 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1d0g n TRP 120 N -1.70 0.00 -3.57 6.00 8.01 -1.26 -1.19 117.44 123.73 1d0g n TRP 120 Ca 0.02 -0.64 -0.12 0.00 -1.31 0.00 0.00 57.50 55.46 1d0g n TRP 120 Cb 0.15 -0.09 -0.05 0.00 -2.01 0.00 0.00 31.31 29.31 1d0g n TRP 120 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 1d0g s SER 121 N -1.71 -0.44 1.02 -0.99 1.04 -1.14 -4.76 113.70 106.72 1d0g s SER 121 Ca 0.13 0.49 -0.16 0.00 0.48 0.00 0.00 55.95 56.89 1d0g s SER 121 Cb 0.12 0.37 0.21 0.00 0.10 0.00 0.00 66.02 66.82 1d0g s SER 121 CO 0.01 -0.40 1.22 -0.62 0.98 0.00 0.00 173.24 174.43 1d0g s ASP 122 N -1.09 2.59 0.57 7.02 2.15 -1.26 -1.29 116.67 125.36 1d0g s ASP 122 Ca -0.04 0.53 -0.17 0.00 0.43 0.00 0.00 52.55 53.31 1d0g s ASP 122 Cb -0.00 -0.75 -0.05 0.00 -0.30 0.00 0.00 42.92 41.82 1d0g s ASP 122 CO 0.03 -3.08 1.05 0.27 -0.17 0.00 0.00 175.17 173.28 1d0g s ILE 123 N -3.50 3.81 -0.21 4.11 -4.36 -1.26 -4.49 121.20 115.30 1d0g s ILE 123 Ca 0.71 0.91 -0.06 0.00 -0.26 0.00 0.00 60.65 61.95 1d0g s ILE 123 Cb -0.08 -3.40 -0.03 0.00 1.25 0.00 0.00 42.46 40.20 1d0g s ILE 123 CO 0.54 -0.45 0.03 -0.70 0.24 0.00 0.00 174.94 174.60 1d0g s GLU 124 N -3.90 3.70 -0.18 0.37 2.12 0.05 -4.94 118.70 115.92 1d0g s GLU 124 Ca 0.64 -0.48 0.01 0.00 0.36 0.00 0.00 54.97 55.50 1d0g s GLU 124 Cb -0.16 -3.17 0.01 0.00 0.26 0.00 0.00 34.13 31.07 1d0g s GLU 124 CO 0.33 0.01 -0.18 0.00 -0.54 0.00 0.00 175.26 174.88 1d0g s VAL 126 N 1.25 3.18 0.86 0.00 -7.23 -0.98 -4.81 120.40 112.68 1d0g s VAL 126 Ca 0.04 -1.32 -0.13 0.00 -1.81 0.00 0.00 61.98 58.76 1d0g s VAL 126 Cb -0.13 -2.47 0.07 0.00 0.56 0.00 0.00 36.38 34.40 1d0g s VAL 126 CO -0.10 0.13 0.89 1.41 -0.31 0.00 0.00 175.10 177.12 1d0g n HIS 127 N 0.82 0.17 -2.38 2.82 8.25 -1.26 -0.63 115.22 123.01 1d0g n HIS 127 Ca -0.14 0.35 -0.42 0.00 -0.26 0.00 0.00 57.72 57.25 1d0g n HIS 127 Cb 0.52 -1.97 -0.02 0.00 1.12 0.00 0.00 29.99 29.64 1d0g n HIS 127 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1d0g s LYS 128 N -3.91 3.36 -0.45 -0.41 -2.85 0.35 -4.76 119.74 111.08 1d0g s LYS 128 Ca 0.67 0.58 -0.17 0.00 -1.00 0.00 0.00 55.97 56.04 1d0g s LYS 128 Cb -0.27 -4.10 0.04 0.00 -2.06 0.00 0.00 37.83 31.45 1d0g s LYS 128 CO 0.58 -1.85 0.44 -1.21 0.10 0.00 0.00 175.35 173.40 1d0g s GLU 129 N 5.37 3.05 0.00 1.78 0.41 -1.26 -5.06 118.70 122.99 1d0g s GLU 129 Ca 0.55 -0.98 0.28 0.00 -0.41 0.00 0.00 54.97 54.40 1d0g s GLU 129 Cb -0.11 -4.04 0.95 0.00 -1.78 0.00 0.00 34.13 29.15 1d0g s GLU 129 CO 0.27 -0.95 1.69 0.43 -0.49 0.00 0.00 175.26 176.21