#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gta s ASP 3 N 0.00 5.48 0.20 6.43 1.11 -1.26 -5.07 116.67 123.57 2gta s ASP 3 Ca 0.00 -0.06 -0.32 0.00 0.18 0.00 0.00 52.55 52.35 2gta s ASP 3 Cb 0.00 -1.97 -0.14 0.00 1.07 0.00 0.00 42.92 41.88 2gta s ASP 3 CO 0.00 0.05 1.38 0.29 1.18 0.00 0.00 175.17 178.07 2gta n LYS 4 N 4.36 1.82 0.00 8.23 5.02 -1.26 -5.16 118.16 131.17 2gta n LYS 4 Ca -0.16 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 2gta n LYS 4 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 2gta n LYS 4 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2gta n THR 5 N 2.11 0.00 0.00 -0.18 -1.04 -1.26 -4.96 114.28 108.95 2gta n THR 5 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2gta n THR 5 Cb 0.29 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 2gta n THR 5 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2gta n LYS 7 N 0.00 0.00 0.09 -2.82 4.81 -1.26 -2.74 118.16 116.24 2gta n LYS 7 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 2gta n LYS 7 Cb 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 34.91 2gta n LYS 7 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2gta h ASP 8 N 0.00 0.36 -0.20 3.14 3.45 -1.98 -2.09 116.42 119.10 2gta h ASP 8 Ca 0.00 -0.40 -0.05 0.00 0.43 0.00 0.00 57.03 57.01 2gta h ASP 8 Cb 0.00 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 2gta h ASP 8 CO 0.00 1.31 -0.02 0.40 -1.57 0.00 0.00 179.24 179.36 2gta h ILE 9 N 0.06 1.20 0.00 0.35 2.04 -1.89 0.35 117.51 119.63 2gta h ILE 9 Ca -0.13 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 2gta h ILE 9 Cb 1.95 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 2gta h ILE 9 CO 0.19 0.27 -0.00 1.56 0.00 0.00 0.00 178.15 180.17 2gta h GLN 10 N 0.48 -0.00 -0.52 2.37 4.20 -1.84 -1.98 115.11 117.82 2gta h GLN 10 Ca 0.10 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.89 2gta h GLN 10 Cb 0.35 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 2gta h GLN 10 CO 0.01 0.39 0.17 0.00 -0.67 0.00 0.00 178.83 178.73 2gta h ALA 11 N 0.60 0.63 0.42 3.87 0.00 -0.60 0.05 119.26 124.23 2gta h ALA 11 Ca -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2gta h ALA 11 Cb 0.40 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2gta h ALA 11 CO 0.00 -0.24 -0.35 1.49 0.00 0.00 0.00 179.25 180.15 2gta h GLU 12 N 0.33 -0.75 -0.43 0.00 4.81 -0.31 0.02 114.58 118.25 2gta h GLU 12 Ca 0.25 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.63 2gta h GLU 12 Cb 0.30 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2gta h GLU 12 CO -0.28 -0.50 0.30 0.28 -0.73 0.00 0.00 179.01 178.09 2gta h VAL 13 N -0.78 0.87 -0.01 0.32 2.07 -0.82 -0.34 116.25 117.57 2gta h VAL 13 Ca -0.04 -0.06 -0.16 0.00 0.82 0.00 0.00 66.70 67.26 2gta h VAL 13 Cb 0.68 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2gta h VAL 13 CO -0.02 0.03 -0.76 -0.78 0.02 0.00 0.00 177.57 176.06 2gta h ASP 14 N 0.17 0.11 -0.07 0.57 3.58 -0.13 -2.50 116.42 118.15 2gta h ASP 14 Ca 0.20 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2gta h ASP 14 Cb 0.58 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 2gta h ASP 14 CO -0.03 0.82 0.04 -0.09 -2.88 0.00 0.00 179.24 177.10 2gta h ARG 15 N 0.05 0.10 0.49 0.28 9.65 0.72 -0.72 114.38 124.95 2gta h ARG 15 Ca -0.02 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 2gta h ARG 15 Cb 1.33 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.87 2gta h ARG 15 CO 0.11 0.15 -0.46 -0.92 2.80 0.00 0.00 179.97 181.64 2gta h TYR 16 N 0.01 -1.28 -0.93 2.20 3.20 -1.34 -2.53 116.97 116.30 2gta h TYR 16 Ca 0.02 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.97 2gta h TYR 16 Cb 0.09 0.50 -0.07 0.00 1.54 0.00 0.00 36.73 38.78 2gta h TYR 16 CO -0.04 -0.62 0.59 0.82 -1.64 0.00 0.00 178.16 177.26 2gta h ILE 17 N -0.94 1.03 0.00 1.81 1.08 -1.47 -1.65 117.51 117.36 2gta h ILE 17 Ca -0.06 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 2gta h ILE 17 Cb 0.81 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.46 2gta h ILE 17 CO -0.04 0.19 0.00 1.23 -0.69 0.00 0.00 178.15 178.84 2gta h GLY 18 N 1.04 0.00 2.00 5.37 0.00 -0.95 -2.23 103.07 108.30 2gta h GLY 18 Ca 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 2gta h GLY 18 CO -0.19 0.00 -0.02 1.46 0.00 0.00 0.00 176.54 177.79 2gta h GLN 19 N 0.00 0.00 -0.02 4.80 4.20 -0.86 -2.94 115.11 120.29 2gta h GLN 19 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2gta h GLN 19 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2gta h GLN 19 CO 0.00 0.02 0.00 1.19 -0.67 0.00 0.00 178.83 179.37 2gta n PHE 20 N -3.11 0.01 -2.78 2.96 3.01 -0.84 -4.91 117.46 111.80 2gta n PHE 20 Ca 0.02 -0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.34 2gta n PHE 20 Cb 0.44 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.91 2gta n PHE 20 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2gta n LYS 21 N -0.10 -2.70 0.00 -1.08 5.02 -1.11 -4.80 118.16 113.39 2gta n LYS 21 Ca 0.20 0.43 0.01 0.00 -2.02 0.00 0.00 58.31 56.94 2gta n LYS 21 Cb 0.29 -5.05 0.01 0.00 -0.02 0.00 0.00 35.03 30.27 2gta n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2gta n GLU 22 N -3.05 -0.37 -0.34 1.97 1.02 -1.26 -5.13 120.64 113.48 2gta n GLU 22 Ca -0.07 -0.64 0.05 0.00 -0.02 0.00 0.00 57.16 56.47 2gta n GLU 22 Cb 0.56 -1.04 -0.01 0.00 -0.02 0.00 0.00 31.44 30.94 2gta n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gta n GLY 23 N 0.19 -1.92 3.95 0.62 0.00 -1.26 -4.88 105.19 101.89 2gta n GLY 23 Ca 0.02 -1.33 -0.23 0.00 0.00 0.00 0.00 46.02 44.48 2gta n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gta s TYR 24 N -0.86 3.26 0.74 1.61 1.51 -1.26 -4.94 117.35 117.41 2gta s TYR 24 Ca 0.00 0.26 -0.15 0.00 -1.01 0.00 0.00 57.07 56.17 2gta s TYR 24 Cb 0.00 -2.28 0.04 0.00 -0.11 0.00 0.00 41.96 39.62 2gta s TYR 24 CO 0.00 -0.32 1.23 -0.06 -1.11 0.00 0.00 175.55 175.29 2gta s PHE 25 N -2.54 1.96 0.65 2.71 0.08 -1.26 -4.97 117.98 114.61 2gta s PHE 25 Ca 0.48 1.60 -0.15 0.00 0.12 0.00 0.00 56.93 58.97 2gta s PHE 25 Cb -0.10 -3.53 -0.00 0.00 -0.57 0.00 0.00 43.02 38.81 2gta s PHE 25 CO 0.38 -2.78 1.12 -1.54 -0.10 0.00 0.00 175.22 172.29 2gta s SER 26 N -1.92 5.13 0.22 1.36 1.04 -1.26 -4.92 113.70 113.34 2gta s SER 26 Ca 0.76 2.03 -0.12 0.00 0.48 0.00 0.00 55.95 59.10 2gta s SER 26 Cb -0.31 -2.56 0.29 0.00 0.10 0.00 0.00 66.02 63.55 2gta s SER 26 CO 0.46 -1.62 1.63 -0.65 0.98 0.00 0.00 173.24 174.04 2gta h PRO 27 N 0.13 0.03 -0.68 4.02 0.11 -1.98 -0.79 132.00 132.83 2gta h PRO 27 Ca -0.47 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 2gta h PRO 27 Cb 1.25 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2gta h PRO 27 CO 0.54 0.02 0.26 -0.07 -0.21 0.00 0.00 178.00 178.54 2gta h LEU 28 N 0.03 0.92 -8.07 2.35 3.38 -2.04 -3.43 115.31 108.45 2gta h LEU 28 Ca 0.34 -0.13 -0.21 0.00 0.09 0.00 0.00 57.88 57.96 2gta h LEU 28 Cb 0.53 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2gta h LEU 28 CO -0.67 0.83 0.65 0.00 0.09 0.00 0.00 178.44 179.34 2gta s ALA 29 N -5.44 1.30 0.00 1.53 0.00 -0.31 -4.75 121.76 114.08 2gta s ALA 29 Ca -0.11 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.08 2gta s ALA 29 Cb 0.16 -4.66 0.00 0.00 0.00 0.00 0.00 23.12 18.62 2gta s ALA 29 CO 0.81 -5.74 0.00 0.00 0.00 0.00 0.00 175.76 170.83 2gta n ALA 32 N 16.25 0.00 -0.14 0.00 0.00 -1.26 -4.71 120.51 130.65 2gta n ALA 32 Ca 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.81 2gta n ALA 32 Cb 0.46 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.94 2gta n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gta h ARG 33 N 0.00 0.47 0.29 0.00 2.47 -1.95 0.12 114.38 115.77 2gta h ARG 33 Ca 0.00 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2gta h ARG 33 Cb 0.00 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.22 2gta h ARG 33 CO 0.00 0.31 -0.14 -0.07 0.56 0.00 0.00 179.97 180.63 2gta h LEU 34 N 0.48 -0.33 -1.27 3.04 3.38 -1.95 -1.15 115.31 117.51 2gta h LEU 34 Ca 0.19 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.25 2gta h LEU 34 Cb 0.06 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 2gta h LEU 34 CO -0.11 -0.18 0.57 0.74 0.09 0.00 0.00 178.44 179.55 2gta h THR 35 N -0.46 0.87 0.36 0.22 2.02 -1.89 0.17 112.91 114.20 2gta h THR 35 Ca -0.04 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 2gta h THR 35 Cb 0.35 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2gta h THR 35 CO 0.07 0.13 -0.20 -0.08 0.37 0.00 0.00 175.52 175.81 2gta h GLU 36 N 0.73 -0.50 -0.08 6.66 4.81 -0.24 -1.08 114.58 124.89 2gta h GLU 36 Ca 0.44 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.69 2gta h GLU 36 Cb 0.63 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 2gta h GLU 36 CO -0.20 -0.33 0.00 0.93 -0.73 0.00 0.00 179.01 178.69 2gta h GLU 37 N -0.52 0.10 0.00 1.92 4.39 -0.90 0.15 114.58 119.73 2gta h GLU 37 Ca -0.05 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 2gta h GLU 37 Cb 0.41 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2gta h GLU 37 CO 0.06 0.11 -0.16 1.25 -1.16 0.00 0.00 179.01 179.12 2gta h LEU 38 N 0.10 0.00 0.06 1.33 5.85 -0.57 0.70 115.31 122.78 2gta h LEU 38 Ca 0.03 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.50 2gta h LEU 38 Cb 0.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2gta h LEU 38 CO 0.00 0.16 -1.17 1.23 -0.34 0.00 0.00 178.44 178.32 2gta h GLY 39 N 1.70 0.15 1.51 3.75 0.00 0.64 -0.82 103.07 110.00 2gta h GLY 39 Ca -0.00 -0.38 -0.23 0.00 0.00 0.00 0.00 47.33 46.71 2gta h GLY 39 CO 0.02 0.33 -0.98 0.83 0.00 0.00 0.00 176.54 176.75 2gta h GLU 40 N 0.04 0.44 -0.39 4.80 5.08 -0.76 -2.09 114.58 121.69 2gta h GLU 40 Ca -0.09 -0.49 -0.16 0.00 -1.00 0.00 0.00 59.36 57.63 2gta h GLU 40 Cb 1.88 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 2gta h GLU 40 CO 0.16 1.14 -0.37 1.25 -1.00 0.00 0.00 179.01 180.19 2gta h LEU 41 N 0.24 1.00 -2.03 1.33 5.85 -0.93 -2.52 115.31 118.25 2gta h LEU 41 Ca -0.09 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 2gta h LEU 41 Cb 1.62 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 2gta h LEU 41 CO 0.17 1.25 -0.09 0.00 -0.34 0.00 0.00 178.44 179.43 2gta h ALA 42 N 0.79 1.32 0.07 1.25 0.00 -1.06 -2.15 119.26 119.48 2gta h ALA 42 Ca 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2gta h ALA 42 Cb 0.97 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2gta h ALA 42 CO 0.09 0.12 -0.03 -0.09 0.00 0.00 0.00 179.25 179.33 2gta h ARG 43 N 0.00 -0.09 -0.62 0.00 2.43 -0.96 -3.15 114.38 111.99 2gta h ARG 43 Ca -0.00 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2gta h ARG 43 Cb 0.27 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 2gta h ARG 43 CO 0.01 0.48 0.41 0.93 -1.51 0.00 0.00 179.97 180.29 2gta h GLU 44 N -0.82 0.74 -0.10 0.20 4.39 -1.26 -0.69 114.58 117.04 2gta h GLU 44 Ca -0.01 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 2gta h GLU 44 Cb 0.61 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2gta h GLU 44 CO 0.02 0.49 -0.42 -0.24 -1.16 0.00 0.00 179.01 177.69 2gta h VAL 45 N 0.76 1.32 0.00 3.13 3.04 -1.49 0.35 116.25 123.35 2gta h VAL 45 Ca 0.24 -1.55 -0.14 0.00 -1.01 0.00 0.00 66.70 64.24 2gta h VAL 45 Cb 0.03 1.71 -0.02 0.00 -2.01 0.00 0.00 31.29 31.00 2gta h VAL 45 CO -0.06 0.46 -0.67 -1.13 -1.01 0.00 0.00 177.57 175.15 2gta h ASN 46 N 0.19 0.00 0.24 3.17 -1.24 -1.35 -0.28 115.58 116.31 2gta h ASN 46 Ca 0.02 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 2gta h ASN 46 Cb 0.83 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.88 2gta h ASN 46 CO 0.07 0.67 -0.11 -0.74 -1.29 0.00 0.00 177.43 176.03 2gta h HIS 47 N 0.00 -0.30 -0.00 0.67 2.76 -0.61 -0.66 115.15 117.01 2gta h HIS 47 Ca -0.01 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2gta h HIS 47 Cb 1.49 0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.54 2gta h HIS 47 CO 0.00 0.05 -0.28 0.54 -1.30 0.00 0.00 177.93 176.93 2gta n ARG 48 N -5.07 0.39 -0.60 5.26 1.74 0.06 -4.28 116.66 114.16 2gta n ARG 48 Ca -0.09 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 2gta n ARG 48 Cb 0.25 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2gta n ARG 48 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2gta n TYR 49 N -1.14 0.00 -2.30 -1.55 4.01 -0.12 -4.89 117.16 111.18 2gta n TYR 49 Ca 0.10 -0.05 0.02 0.00 -0.16 0.00 0.00 57.90 57.81 2gta n TYR 49 Cb 0.33 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.36 2gta n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gta n GLY 50 N 0.04 0.81 0.74 2.72 0.00 -0.26 -4.90 105.19 104.35 2gta n GLY 50 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2gta n GLY 50 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2gta n GLU 51 N 0.30 0.00 -0.21 1.61 -0.00 -1.24 -4.91 120.64 116.20 2gta n GLU 51 Ca 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.16 57.18 2gta n GLU 51 Cb 0.97 0.00 -0.01 0.00 -0.00 0.00 0.00 31.44 32.40 2gta n GLU 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2gta n LYS 61 N -2.77 0.42 0.00 3.44 3.00 -1.26 -4.93 118.16 116.05 2gta n LYS 61 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 2gta n LYS 61 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 33.63 2gta n LYS 61 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2gta n SER 62 N 2.04 0.58 0.00 3.14 7.64 -1.26 -2.55 113.62 123.22 2gta n SER 62 Ca 0.03 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.36 2gta n SER 62 Cb 0.20 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2gta n SER 62 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2gta n GLU 64 N 0.64 0.00 0.03 1.43 2.13 -1.26 -0.42 120.64 123.18 2gta n GLU 64 Ca 0.00 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.63 2gta n GLU 64 Cb 0.11 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.72 2gta n GLU 64 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2gta h GLU 65 N 0.00 0.71 0.00 5.31 4.11 -1.93 -1.27 114.58 121.51 2gta h GLU 65 Ca 0.00 -0.72 -0.01 0.00 0.07 0.00 0.00 59.36 58.70 2gta h GLU 65 Cb 0.00 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2gta h GLU 65 CO 0.00 1.30 -0.03 0.93 0.07 0.00 0.00 179.01 181.29 2gta h GLU 66 N 0.42 0.00 0.11 1.06 4.39 -1.03 -1.03 114.58 118.50 2gta h GLU 66 Ca -0.11 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.39 2gta h GLU 66 Cb 1.63 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.28 2gta h GLU 66 CO 0.19 0.03 -0.94 0.82 -1.16 0.00 0.00 179.01 177.95 2gta h ILE 67 N 0.00 1.35 -0.67 3.13 1.08 -1.76 -3.28 117.51 117.36 2gta h ILE 67 Ca -0.00 -2.44 0.01 0.00 -0.39 0.00 0.00 64.86 62.03 2gta h ILE 67 Cb 0.28 3.00 -0.03 0.00 -3.07 0.00 0.00 36.82 36.99 2gta h ILE 67 CO 0.00 0.67 0.44 1.23 -0.69 0.00 0.00 178.15 179.81 2gta h GLY 68 N -0.34 0.94 0.85 5.37 0.00 -0.72 -1.68 103.07 107.49 2gta h GLY 68 Ca -0.19 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 46.82 2gta h GLY 68 CO 0.08 0.34 0.58 -0.55 0.00 0.00 0.00 176.54 176.99 2gta h ASP 69 N 0.91 0.96 -0.16 0.19 5.19 -1.31 0.30 116.42 122.50 2gta h ASP 69 Ca 0.25 -0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.55 2gta h ASP 69 Cb -0.10 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.19 2gta h ASP 69 CO -0.05 0.65 -0.30 0.58 -3.12 0.00 0.00 179.24 177.00 2gta h VAL 70 N 1.12 1.35 -0.72 -1.35 2.07 -1.46 -2.94 116.25 114.31 2gta h VAL 70 Ca 0.36 -1.54 0.07 0.00 0.82 0.00 0.00 66.70 66.41 2gta h VAL 70 Cb 0.03 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 2gta h VAL 70 CO -0.13 0.46 0.48 0.25 0.02 0.00 0.00 177.57 178.65 2gta h LEU 71 N 0.12 0.65 0.62 2.57 7.12 -0.67 -0.14 115.31 125.59 2gta h LEU 71 Ca 0.01 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.99 2gta h LEU 71 Cb 0.89 -0.14 0.01 0.00 -0.53 0.00 0.00 40.66 40.89 2gta h LEU 71 CO 0.07 0.42 -0.30 0.15 -0.13 0.00 0.00 178.44 178.65 2gta h PHE 72 N 0.74 -0.77 -0.89 1.25 3.04 -0.33 -0.76 116.94 119.22 2gta h PHE 72 Ca 0.31 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.33 2gta h PHE 72 Cb 0.28 0.26 -0.07 0.00 2.56 0.00 0.00 35.95 38.97 2gta h PHE 72 CO -0.00 -0.47 0.54 0.28 -2.02 0.00 0.00 178.31 176.64 2gta h VAL 73 N -0.86 0.98 -0.29 1.41 2.07 -1.25 0.78 116.25 119.08 2gta h VAL 73 Ca -0.09 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 2gta h VAL 73 Cb 0.65 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2gta h VAL 73 CO 0.14 0.17 0.01 0.25 0.02 0.00 0.00 177.57 178.16 2gta h LEU 74 N 0.93 0.41 -0.04 2.57 5.85 -0.77 0.05 115.31 124.30 2gta h LEU 74 Ca 0.41 -0.06 -0.23 0.00 0.84 0.00 0.00 57.88 58.84 2gta h LEU 74 Cb 0.30 -0.11 0.02 0.00 0.37 0.00 0.00 40.66 41.24 2gta h LEU 74 CO -0.22 0.46 -0.87 0.58 -0.34 0.00 0.00 178.44 178.06 2gta h VAL 75 N 0.43 1.31 -0.12 1.05 2.07 0.14 -2.41 116.25 118.72 2gta h VAL 75 Ca 0.10 -2.12 0.03 0.00 0.82 0.00 0.00 66.70 65.52 2gta h VAL 75 Cb 0.27 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 2gta h VAL 75 CO 0.01 0.65 -0.05 0.00 0.02 0.00 0.00 177.57 178.20 2gta h LEU 77 N -0.03 0.76 0.05 0.00 5.85 -1.06 0.35 115.31 121.23 2gta h LEU 77 Ca 0.07 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2gta h LEU 77 Cb 0.13 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2gta h LEU 77 CO -0.15 0.58 -0.02 0.00 -0.34 0.00 0.00 178.44 178.51 2gta h ALA 78 N 1.56 -0.07 -0.52 1.25 0.00 -0.71 -2.75 119.26 118.01 2gta h ALA 78 Ca 0.24 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2gta h ALA 78 Cb -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2gta h ALA 78 CO -0.05 -0.42 0.05 -0.91 0.00 0.00 0.00 179.25 177.93 2gta h ASN 79 N -0.31 0.81 -0.07 0.00 -0.26 -0.42 0.28 115.58 115.61 2gta h ASN 79 Ca -0.01 -0.18 0.02 0.00 -0.56 0.00 0.00 56.30 55.57 2gta h ASN 79 Cb 0.28 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 37.33 2gta h ASN 79 CO 0.01 0.84 0.07 0.77 -1.06 0.00 0.00 177.43 178.06 2gta h SER 80 N 0.80 0.00 -0.23 5.81 4.64 -0.16 -0.40 113.55 124.01 2gta h SER 80 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2gta h SER 80 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2gta h SER 80 CO 0.01 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 2gta n LEU 81 N -3.96 3.50 -3.95 5.97 4.77 -1.02 -4.99 117.00 117.32 2gta n LEU 81 Ca -0.01 -2.86 -0.28 0.00 -0.03 0.00 0.00 56.01 52.82 2gta n LEU 81 Cb 0.17 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 2gta n LEU 81 CO 0.29 0.68 -0.23 -0.67 -1.33 0.00 0.00 177.39 176.13 2gta n ASP 82 N -0.50 -1.26 -4.45 -1.43 4.64 -0.16 -4.97 116.55 108.41 2gta n ASP 82 Ca 0.19 -1.05 -0.33 0.00 -1.38 0.00 0.00 54.79 52.22 2gta n ASP 82 Cb 0.78 -2.89 -0.13 0.00 -1.04 0.00 0.00 41.12 37.83 2gta n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2gta s ILE 83 N -3.89 3.02 -0.30 5.18 1.01 0.05 -5.02 121.20 121.25 2gta s ILE 83 Ca 0.11 -0.73 -0.25 0.00 0.00 0.00 0.00 60.65 59.78 2gta s ILE 83 Cb -0.05 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.24 2gta s ILE 83 CO 0.90 0.58 0.87 -0.55 0.00 0.00 0.00 174.94 176.74 2gta s SER 84 N -0.55 6.76 0.41 3.58 0.15 -1.26 -4.40 113.70 118.39 2gta s SER 84 Ca 0.08 0.82 0.08 0.00 0.70 0.00 0.00 55.95 57.63 2gta s SER 84 Cb -0.11 -2.45 0.88 0.00 -1.71 0.00 0.00 66.02 62.62 2gta s SER 84 CO 0.01 -0.67 2.03 0.25 1.20 0.00 0.00 173.24 176.07 2gta h LEU 85 N 9.58 0.38 0.75 3.45 5.85 -1.98 -0.97 115.31 132.37 2gta h LEU 85 Ca -0.23 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 2gta h LEU 85 Cb 1.09 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.03 2gta h LEU 85 CO 0.92 0.33 -0.36 -0.08 -0.34 0.00 0.00 178.44 178.91 2gta h GLU 86 N 0.43 -0.97 -0.73 1.25 4.81 -1.99 -0.51 114.58 116.87 2gta h GLU 86 Ca 0.11 0.07 0.13 0.00 -0.13 0.00 0.00 59.36 59.54 2gta h GLU 86 Cb 0.04 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 2gta h GLU 86 CO -0.02 -0.63 0.49 1.49 -0.73 0.00 0.00 179.01 179.62 2gta h GLU 87 N -1.12 0.45 -0.20 1.92 4.81 -1.91 0.47 114.58 119.00 2gta h GLU 87 Ca -0.10 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 58.95 2gta h GLU 87 Cb 0.79 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 2gta h GLU 87 CO 0.17 0.30 -0.51 0.00 -0.73 0.00 0.00 179.01 178.23 2gta h ALA 88 N 1.65 0.73 -0.45 2.92 0.00 -0.97 -2.34 119.26 120.80 2gta h ALA 88 Ca 0.35 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2gta h ALA 88 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2gta h ALA 88 CO -0.12 0.68 -0.19 1.25 0.00 0.00 0.00 179.25 180.87 2gta h HIS 89 N 0.44 1.05 -0.45 0.00 -0.00 0.70 -2.66 115.15 114.23 2gta h HIS 89 Ca 0.02 -0.25 0.02 0.00 -0.00 0.00 0.00 60.37 60.15 2gta h HIS 89 Cb 1.05 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 28.18 2gta h HIS 89 CO 0.04 1.05 0.26 -0.44 -0.00 0.00 0.00 177.93 178.84 2gta h ASP 90 N 0.75 0.42 -0.06 3.26 5.19 -0.94 -2.96 116.42 122.09 2gta h ASP 90 Ca 0.10 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.54 2gta h ASP 90 Cb 0.76 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 40.14 2gta h ASP 90 CO 0.06 0.30 -0.38 -0.09 -3.12 0.00 0.00 179.24 176.00 2gta h ARG 91 N 0.52 -0.42 -0.58 3.56 9.65 -1.25 0.54 114.38 126.40 2gta h ARG 91 Ca 0.18 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 2gta h ARG 91 Cb 0.02 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2gta h ARG 91 CO -0.09 -0.28 0.00 0.28 2.80 0.00 0.00 179.97 182.68 2gta n VAL 92 N -4.59 0.00 0.00 0.20 0.31 -1.02 -2.39 118.33 110.84 2gta n VAL 92 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2gta n VAL 92 Cb 0.27 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 2gta n VAL 92 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2gta n HIS 94 N 0.50 0.00 0.13 3.52 -0.00 0.18 -2.26 115.22 117.29 2gta n HIS 94 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 2gta n HIS 94 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 2gta n HIS 94 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 2gta h LYS 95 N 0.00 -0.28 -0.63 1.57 1.79 -1.74 -2.86 116.57 114.43 2gta h LYS 95 Ca 0.00 0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.56 2gta h LYS 95 Cb 0.00 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 2gta h LYS 95 CO 0.00 -0.11 0.42 0.74 -1.08 0.00 0.00 179.45 179.42 2gta h PHE 96 N -0.39 0.58 -0.13 -1.35 0.05 -1.75 -2.31 116.94 111.64 2gta h PHE 96 Ca -0.03 0.02 -0.15 0.00 3.82 0.00 0.00 57.97 61.63 2gta h PHE 96 Cb 0.30 -0.19 -0.01 0.00 2.00 0.00 0.00 35.95 38.05 2gta h PHE 96 CO -0.03 0.30 -0.56 -0.91 -0.18 0.00 0.00 178.31 176.93 2gta h ASN 97 N 0.57 0.44 0.24 2.17 2.35 -1.81 -3.55 115.58 115.98 2gta h ASN 97 Ca 0.28 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2gta h ASN 97 Cb 0.35 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2gta h ASN 97 CO -0.08 0.91 -0.12 0.74 -1.65 0.00 0.00 177.43 177.23 2gta h THR 98 N 0.30 0.69 -0.54 2.81 2.02 -1.19 -3.52 112.91 113.48 2gta h THR 98 Ca 0.00 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.28 2gta h THR 98 Cb 1.07 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2gta h THR 98 CO 0.10 0.16 0.00 -1.14 0.37 0.00 0.00 175.52 175.01 2gta n ARG 106 N -5.01 0.00 -0.02 6.66 0.63 -1.26 -4.99 116.66 112.67 2gta n ARG 106 Ca -0.08 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 56.97 2gta n ARG 106 Cb 0.26 -0.26 0.60 0.00 0.45 0.00 0.00 32.46 33.51 2gta n ARG 106 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2gta n LYS 107 N -1.53 1.35 -3.16 -0.14 0.00 -1.26 -4.78 118.16 108.64 2gta n LYS 107 Ca 0.00 -0.51 -0.44 0.00 0.00 0.00 0.00 58.31 57.36 2gta n LYS 107 Cb 0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 35.03 33.55 2gta n LYS 107 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2gta s GLU 108 N -1.95 3.11 -0.09 1.64 -1.05 -1.26 -4.88 118.70 114.23 2gta s GLU 108 Ca 0.37 -0.95 0.05 0.00 -0.15 0.00 0.00 54.97 54.29 2gta s GLU 108 Cb 0.18 -4.11 0.29 0.00 -0.44 0.00 0.00 34.13 30.05 2gta s GLU 108 CO 0.30 -1.24 0.97 -0.85 0.95 0.00 0.00 175.26 175.38 2gta n GLU 109 N 6.15 2.37 0.01 -4.83 -0.00 -1.26 -4.54 120.64 118.54 2gta n GLU 109 Ca -0.07 -1.13 0.00 0.00 -0.00 0.00 0.00 57.16 55.96 2gta n GLU 109 Cb 0.45 -1.76 0.01 0.00 -0.00 0.00 0.00 31.44 30.13 2gta n GLU 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2gta n GLY 110 N 0.21 -0.17 0.06 -1.84 0.00 -1.26 -0.37 105.19 101.82 2gta n GLY 110 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 2gta n GLY 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gta n LYS 111 N -1.19 0.05 0.12 1.61 5.02 -1.26 -2.42 118.16 120.09 2gta n LYS 111 Ca -0.00 0.55 0.13 0.00 -2.02 0.00 0.00 58.31 56.97 2gta n LYS 111 Cb 0.34 -1.68 0.39 0.00 -0.02 0.00 0.00 35.03 34.07 2gta n LYS 111 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2gta h LEU 112 N 0.00 0.00 0.00 -0.35 6.46 -1.11 -3.46 115.31 116.85 2gta h LEU 112 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2gta h LEU 112 Cb 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 2gta h LEU 112 CO 0.00 0.00 0.00 1.21 -0.62 0.00 0.00 178.44 179.03 2gta n GLU 113 N -2.35 0.00 0.00 1.25 2.13 -1.01 -4.86 120.64 115.80 2gta n GLU 113 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2gta n GLU 113 Cb 0.43 -0.03 0.00 0.00 0.27 0.00 0.00 31.44 32.11 2gta n GLU 113 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44