#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 6.80 0.08 -3.46 1.01 -1.26 -4.93 116.67 114.92 2gta s ASP 3 Ca 0.00 2.66 -0.31 0.00 0.71 0.00 0.00 52.55 55.61 2gta s ASP 3 Cb 0.00 -2.65 -0.09 0.00 1.01 0.00 0.00 42.92 41.20 2gta s ASP 3 CO 0.00 -0.51 1.66 -0.54 0.21 0.00 0.00 175.17 175.99 2gta s LYS 4 N -1.75 4.19 0.00 8.23 1.02 -1.26 -5.15 119.74 125.02 2gta s LYS 4 Ca 0.49 2.36 0.00 0.00 0.02 0.00 0.00 55.97 58.83 2gta s LYS 4 Cb -0.39 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.37 2gta s LYS 4 CO 0.52 -0.73 0.00 0.25 -0.92 0.00 0.00 175.35 174.47 2gta n THR 5 N 4.65 0.00 0.00 2.17 -2.24 -1.26 -4.98 114.28 112.61 2gta n THR 5 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2gta n THR 5 Cb 0.40 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 2gta n THR 5 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2gta n LYS 7 N 0.00 0.00 0.01 -0.78 0.00 -1.26 -3.38 118.16 112.75 2gta n LYS 7 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 58.31 58.42 2gta n LYS 7 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.06 2gta n LYS 7 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2gta n ASP 8 N 0.00 0.66 -0.02 3.14 3.85 -1.26 -2.75 116.55 120.17 2gta n ASP 8 Ca 0.00 -0.41 -0.18 0.00 -0.71 0.00 0.00 54.79 53.49 2gta n ASP 8 Cb 0.00 0.76 -0.07 0.00 -1.35 0.00 0.00 41.12 40.46 2gta n ASP 8 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 2gta h ILE 9 N 0.00 1.27 -0.59 2.12 2.04 -1.94 1.03 117.51 121.44 2gta h ILE 9 Ca 0.00 -1.98 -0.06 0.00 1.00 0.00 0.00 64.86 63.82 2gta h ILE 9 Cb 0.63 2.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 2gta h ILE 9 CO 0.00 0.63 0.13 1.56 0.00 0.00 0.00 178.15 180.47 2gta h GLN 10 N 0.54 0.96 0.09 2.37 4.20 -1.89 -2.14 115.11 119.25 2gta h GLN 10 Ca -0.06 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.41 2gta h GLN 10 Cb 1.43 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 29.09 2gta h GLN 10 CO 0.16 0.89 -0.05 0.00 -0.67 0.00 0.00 178.83 179.17 2gta h ALA 11 N 1.03 -0.13 -0.84 3.87 0.00 -1.26 0.99 119.26 122.91 2gta h ALA 11 Ca 0.18 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.17 2gta h ALA 11 Cb 0.38 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 2gta h ALA 11 CO 0.01 -0.58 0.55 1.49 0.00 0.00 0.00 179.25 180.72 2gta h GLU 12 N -0.13 0.75 -0.06 0.00 4.81 0.13 -1.74 114.58 118.33 2gta h GLU 12 Ca -0.01 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2gta h GLU 12 Cb 0.11 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2gta h GLU 12 CO 0.01 0.50 -0.09 0.28 -0.73 0.00 0.00 179.01 178.98 2gta h VAL 13 N 0.77 1.40 -0.67 0.32 2.07 -0.78 -2.40 116.25 116.97 2gta h VAL 13 Ca 0.40 -1.34 0.13 0.00 0.82 0.00 0.00 66.70 66.70 2gta h VAL 13 Cb 0.49 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 2gta h VAL 13 CO -0.16 0.37 0.45 -0.78 0.02 0.00 0.00 177.57 177.47 2gta h ASP 14 N -0.30 0.33 -0.23 0.57 1.82 -0.25 0.15 116.42 118.51 2gta h ASP 14 Ca 0.01 0.01 -0.15 0.00 -0.39 0.00 0.00 57.03 56.51 2gta h ASP 14 Cb 0.65 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.60 2gta h ASP 14 CO 0.02 0.18 -0.44 0.03 -1.61 0.00 0.00 179.24 177.42 2gta h ARG 15 N 0.36 0.70 -0.21 0.28 3.08 -1.26 -1.74 114.38 115.58 2gta h ARG 15 Ca 0.32 -0.45 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 2gta h ARG 15 Cb 0.76 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 2gta h ARG 15 CO -0.09 1.07 -0.07 -0.92 -1.07 0.00 0.00 179.97 178.89 2gta h TYR 16 N 0.41 0.33 -0.03 3.04 3.20 -0.51 -2.99 116.97 120.42 2gta h TYR 16 Ca 0.01 -0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.60 2gta h TYR 16 Cb 1.04 -0.10 0.02 0.00 1.54 0.00 0.00 36.73 39.24 2gta h TYR 16 CO 0.08 0.40 -0.96 0.82 -1.64 0.00 0.00 178.16 176.87 2gta h ILE 17 N 0.31 1.29 0.00 1.81 1.08 -1.01 -3.22 117.51 117.77 2gta h ILE 17 Ca 0.07 -2.17 0.00 0.00 -0.39 0.00 0.00 64.86 62.36 2gta h ILE 17 Cb 0.33 2.32 0.00 0.00 -3.07 0.00 0.00 36.82 36.40 2gta h ILE 17 CO 0.02 0.67 0.00 0.61 -0.69 0.00 0.00 178.15 178.76 2gta n GLY 18 N 1.01 -0.37 0.05 5.37 0.00 -0.66 -2.68 105.19 107.90 2gta n GLY 18 Ca -0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 2gta n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2gta h GLN 19 N 0.00 0.00 0.00 1.61 4.20 -1.62 -3.33 115.11 115.97 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 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2gta h GLN 19 CO 0.00 0.00 0.19 0.74 -0.67 0.00 0.00 178.83 179.09 2gta h PHE 20 N -0.75 0.00 -5.75 2.96 -1.00 -1.70 -3.45 116.94 107.25 2gta h PHE 20 Ca 0.00 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.46 2gta h PHE 20 Cb 0.22 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 39.64 2gta h PHE 20 CO -0.09 0.00 -0.47 1.63 -1.61 0.00 0.00 178.31 177.76 2gta n LYS 21 N -2.46 -2.43 -0.12 1.51 5.02 -1.22 -4.78 118.16 113.67 2gta n LYS 21 Ca -0.02 0.23 0.05 0.00 -2.02 0.00 0.00 58.31 56.55 2gta n LYS 21 Cb 0.23 -4.83 0.10 0.00 -0.02 0.00 0.00 35.03 30.51 2gta n LYS 21 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2gta n GLU 22 N -3.39 2.61 -0.45 1.97 0.28 -1.26 -5.12 120.64 115.28 2gta n GLU 22 Ca 0.02 -2.05 0.06 0.00 -0.16 0.00 0.00 57.16 55.04 2gta n GLU 22 Cb 0.50 -1.29 -0.02 0.00 1.43 0.00 0.00 31.44 32.07 2gta n GLU 22 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2gta n GLY 23 N -0.43 -1.96 3.86 -1.84 0.00 -1.26 -4.91 105.19 98.65 2gta n GLY 23 Ca 0.09 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.09 2.30 0.65 1.61 1.51 -1.26 -5.04 117.35 115.03 2gta s TYR 24 Ca 0.00 0.65 -0.11 0.00 -1.01 0.00 0.00 57.07 56.60 2gta s TYR 24 Cb 0.00 -3.63 -0.02 0.00 -0.11 0.00 0.00 41.96 38.20 2gta s TYR 24 CO 0.00 -2.32 1.05 -0.06 -1.11 0.00 0.00 175.55 173.11 2gta s PHE 25 N -3.54 3.49 0.49 2.71 2.99 -1.26 -5.03 117.98 117.82 2gta s PHE 25 Ca 0.66 1.25 -0.22 0.00 0.00 0.00 0.00 56.93 58.63 2gta s PHE 25 Cb -0.10 -2.82 -0.07 0.00 0.00 0.00 0.00 43.02 40.03 2gta s PHE 25 CO 0.52 -0.88 1.15 0.45 -0.00 0.00 0.00 175.22 176.46 2gta s SER 26 N -4.16 6.03 0.33 1.36 0.15 -1.26 -4.91 113.70 111.23 2gta s SER 26 Ca 0.56 2.26 0.10 0.00 0.70 0.00 0.00 55.95 59.57 2gta s SER 26 Cb -0.11 -2.60 0.97 0.00 -1.71 0.00 0.00 66.02 62.57 2gta s SER 26 CO 0.54 -1.01 1.63 -0.65 1.20 0.00 0.00 173.24 174.95 2gta h PRO 27 N 1.78 0.17 0.01 5.44 0.11 -2.00 0.96 132.00 138.48 2gta h PRO 27 Ca -0.50 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.41 2gta h PRO 27 Cb 1.25 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2gta h PRO 27 CO 0.59 0.11 -0.92 -0.07 -0.21 0.00 0.00 178.00 177.51 2gta h LEU 28 N 0.18 0.10 -7.25 2.35 3.38 -2.05 -3.42 115.31 108.60 2gta h LEU 28 Ca 0.68 -0.09 -0.56 0.00 0.09 0.00 0.00 57.88 58.00 2gta h LEU 28 Cb 1.55 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 2gta h LEU 28 CO -0.70 0.96 1.98 0.00 0.09 0.00 0.00 178.44 180.77 2gta n ALA 29 N -2.41 3.19 0.00 1.53 0.00 0.33 -4.69 120.51 118.45 2gta n ALA 29 Ca -0.02 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 50.00 2gta n ALA 29 Cb 0.85 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.74 2gta n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gta n ALA 32 N 9.88 0.00 -0.27 0.00 0.00 -1.26 -4.69 120.51 124.17 2gta n ALA 32 Ca 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.92 2gta n ALA 32 Cb 0.44 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.09 2gta n ALA 32 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2gta h ARG 33 N 0.00 1.10 0.81 0.00 9.65 -1.96 -1.90 114.38 122.08 2gta h ARG 33 Ca 0.00 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 58.77 2gta h ARG 33 Cb 0.00 -0.25 0.01 0.00 -1.39 0.00 0.00 29.97 28.34 2gta h ARG 33 CO 0.00 0.73 -0.39 1.25 2.80 0.00 0.00 179.97 184.36 2gta h LEU 34 N 1.13 -0.92 -2.19 3.80 6.46 -1.94 -2.65 115.31 119.00 2gta h LEU 34 Ca 0.30 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 58.13 2gta h LEU 34 Cb -0.13 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 2gta h LEU 34 CO -0.07 -0.57 0.27 0.71 -0.62 0.00 0.00 178.44 178.17 2gta h THR 35 N -1.25 0.24 -0.12 1.05 1.35 -1.95 -0.52 112.91 111.70 2gta h THR 35 Ca -0.11 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.71 2gta h THR 35 Cb 0.84 0.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.02 2gta h THR 35 CO 0.18 0.00 -0.07 -0.08 -0.25 0.00 0.00 175.52 175.31 2gta h GLU 36 N 0.00 0.26 -0.17 4.72 4.81 -1.01 -2.26 114.58 120.93 2gta h GLU 36 Ca 0.07 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 2gta h GLU 36 Cb 0.62 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2gta h GLU 36 CO -0.00 0.61 -0.55 0.93 -0.73 0.00 0.00 179.01 179.27 2gta h GLU 37 N -0.09 0.50 -0.11 1.92 4.39 -0.86 -2.82 114.58 117.50 2gta h GLU 37 Ca 0.03 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2gta h GLU 37 Cb 0.54 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2gta h GLU 37 CO 0.02 0.91 0.06 1.25 -1.16 0.00 0.00 179.01 180.09 2gta h LEU 38 N 0.38 0.10 -0.96 1.33 5.85 -1.15 0.19 115.31 121.06 2gta h LEU 38 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2gta h LEU 38 Cb 1.08 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2gta h LEU 38 CO 0.10 0.07 0.00 1.23 -0.34 0.00 0.00 178.44 179.50 2gta h GLY 39 N 0.13 0.00 1.50 3.75 0.00 -1.42 0.32 103.07 107.35 2gta h GLY 39 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.10 2gta h GLY 39 CO -0.02 0.00 -1.21 -2.09 0.00 0.00 0.00 176.54 173.21 2gta h GLU 40 N 0.00 0.39 -0.29 4.80 4.81 -0.88 -2.00 114.58 121.42 2gta h GLU 40 Ca 0.00 -0.58 -0.17 0.00 -0.13 0.00 0.00 59.36 58.48 2gta h GLU 40 Cb 0.38 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 2gta h GLU 40 CO 0.00 1.25 -0.49 1.25 -0.73 0.00 0.00 179.01 180.30 2gta h LEU 41 N 0.15 0.86 -1.25 1.64 5.85 0.83 -2.91 115.31 120.47 2gta h LEU 41 Ca -0.15 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.15 2gta h LEU 41 Cb 1.91 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.66 2gta h LEU 41 CO 0.21 1.20 0.51 0.00 -0.34 0.00 0.00 178.44 180.01 2gta h ALA 42 N 0.83 1.46 -0.31 1.25 0.00 -0.32 -2.18 119.26 119.99 2gta h ALA 42 Ca 0.03 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2gta h ALA 42 Cb 1.06 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2gta h ALA 42 CO 0.11 0.50 0.14 -0.09 0.00 0.00 0.00 179.25 179.91 2gta h ARG 43 N 1.03 0.30 0.04 0.00 2.43 -1.16 -1.66 114.38 115.36 2gta h ARG 43 Ca 0.28 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2gta h ARG 43 Cb -0.12 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 2gta h ARG 43 CO -0.06 0.20 -0.02 0.93 -1.51 0.00 0.00 179.97 179.51 2gta h GLU 44 N 0.30 -0.05 -0.95 0.20 4.39 -1.40 -2.62 114.58 114.45 2gta h GLU 44 Ca 0.13 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.96 2gta h GLU 44 Cb 0.06 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.65 2gta h GLU 44 CO -0.10 0.20 0.60 0.28 -1.16 0.00 0.00 179.01 178.83 2gta h VAL 45 N -0.30 0.89 0.00 3.13 2.07 -1.35 0.57 116.25 121.26 2gta h VAL 45 Ca -0.01 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2gta h VAL 45 Cb 0.28 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2gta h VAL 45 CO 0.01 0.16 0.00 -1.13 0.02 0.00 0.00 177.57 176.63 2gta h ASN 46 N 0.87 0.00 0.00 0.57 -0.00 -1.22 0.61 115.58 116.41 2gta h ASN 46 Ca 0.47 0.00 -0.19 0.00 -0.00 0.00 0.00 56.30 56.58 2gta h ASN 46 Cb 0.57 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.86 2gta h ASN 46 CO -0.23 0.00 -1.05 -0.74 -0.00 0.00 0.00 177.43 175.41 2gta h HIS 47 N 0.00 0.00 0.00 0.67 2.76 0.26 -2.11 115.15 116.73 2gta h HIS 47 Ca 0.00 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 57.98 2gta h HIS 47 Cb 0.68 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.61 2gta h HIS 47 CO 0.00 1.36 -0.90 -0.09 -1.30 0.00 0.00 177.93 177.00 2gta h ARG 48 N -1.00 0.00 0.00 5.26 2.43 -0.26 -3.38 114.38 117.43 2gta h ARG 48 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2gta h ARG 48 Cb 1.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2gta h ARG 48 CO -0.17 0.90 0.00 0.66 -1.51 0.00 0.00 179.97 179.84 2gta n TYR 49 N -3.42 0.00 -1.09 2.20 4.01 0.08 -5.07 117.16 113.85 2gta n TYR 49 Ca -0.00 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 2gta n TYR 49 Cb 0.87 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.89 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 3.15 0.65 2.72 0.00 -0.43 -4.90 105.19 106.33 2gta n GLY 50 Ca 0.00 -1.83 0.06 0.00 0.00 0.00 0.00 46.02 44.25 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 0.00 0.87 -3.56 1.61 0.28 -1.03 -4.83 120.64 113.97 2gta n GLU 51 Ca 0.00 -2.41 -0.25 0.00 -0.16 0.00 0.00 57.16 54.34 2gta n GLU 51 Cb 0.00 -1.02 -0.15 0.00 1.43 0.00 0.00 31.44 31.70 2gta n GLU 51 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2gta s LYS 52 N -1.83 0.13 0.40 3.44 2.47 -1.01 -5.08 119.74 118.26 2gta s LYS 52 Ca 0.29 -0.15 -0.25 0.00 -1.56 0.00 0.00 55.97 54.30 2gta s LYS 52 Cb 0.29 -1.48 -0.08 0.00 -1.46 0.00 0.00 37.83 35.09 2gta s LYS 52 CO -0.05 -0.78 1.15 -1.25 0.16 0.00 0.00 175.35 174.57 2gta s PRO 53 N 2.18 4.07 0.49 4.03 0.04 -1.26 -3.42 135.00 141.12 2gta s PRO 53 Ca 0.05 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 2gta s PRO 53 Cb -0.16 -2.65 -0.06 0.00 0.04 0.00 0.00 34.50 31.68 2gta s PRO 53 CO -0.18 -0.29 0.88 -1.59 0.04 0.00 0.00 177.00 175.86 2gta s LYS 54 N -2.34 3.76 0.00 4.56 -2.85 -1.26 -5.00 119.74 116.61 2gta s LYS 54 Ca 0.57 0.62 0.00 0.00 -1.00 0.00 0.00 55.97 56.16 2gta s LYS 54 Cb -0.29 -2.26 0.00 0.00 -2.06 0.00 0.00 37.83 33.22 2gta s LYS 54 CO 0.36 -0.23 0.00 0.36 0.10 0.00 0.00 175.35 175.94 2gta n LYS 55 N -1.81 2.65 0.00 1.78 -0.00 -1.26 -5.16 118.16 114.37 2gta n LYS 55 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 2gta n LYS 55 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.57 2gta n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2gta n ALA 56 N -3.00 0.00 0.00 0.58 0.00 -1.26 -5.22 120.51 111.61 2gta n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gta n ALA 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2gta n ALA 56 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2gta n LYS 61 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -5.34 118.16 111.56 2gta n LYS 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2gta n LYS 61 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2gta n LYS 61 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2gta n SER 62 N 0.00 0.00 0.00 -5.58 3.41 -1.26 -4.99 113.62 105.20 2gta n SER 62 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2gta n SER 62 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2gta n SER 62 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2gta n GLU 64 N 0.00 0.00 -0.07 4.33 2.13 -1.26 -1.99 120.64 123.78 2gta n GLU 64 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 2gta n GLU 64 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2gta n GLU 64 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2gta h GLU 65 N 0.00 0.47 -0.62 5.31 5.08 -1.99 -2.63 114.58 120.20 2gta h GLU 65 Ca 0.00 -0.21 0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2gta h GLU 65 Cb 0.00 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2gta h GLU 65 CO 0.00 0.76 0.41 0.93 -1.00 0.00 0.00 179.01 180.11 2gta h GLU 66 N 0.17 0.64 -0.32 2.33 4.39 -1.78 -0.26 114.58 119.74 2gta h GLU 66 Ca 0.05 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.55 2gta h GLU 66 Cb 0.63 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2gta h GLU 66 CO 0.04 0.42 -0.44 0.82 -1.16 0.00 0.00 179.01 178.69 2gta h ILE 67 N 0.65 1.28 -0.43 3.13 2.04 -1.83 -3.00 117.51 119.36 2gta h ILE 67 Ca 0.26 -1.62 -0.04 0.00 1.00 0.00 0.00 64.86 64.46 2gta h ILE 67 Cb 0.20 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2gta h ILE 67 CO -0.08 0.53 0.11 1.23 0.00 0.00 0.00 178.15 179.94 2gta h GLY 68 N 0.84 0.68 1.28 5.37 0.00 -0.73 -0.63 103.07 109.88 2gta h GLY 68 Ca 0.04 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 2gta h GLY 68 CO 0.10 0.34 0.18 -0.55 0.00 0.00 0.00 176.54 176.61 2gta h ASP 69 N 0.62 0.84 -0.18 0.19 3.32 -0.98 -0.58 116.42 119.65 2gta h ASP 69 Ca 0.14 -0.14 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 2gta h ASP 69 Cb 0.23 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.56 2gta h ASP 69 CO -0.00 0.80 -0.55 0.58 -1.72 0.00 0.00 179.24 178.34 2gta h VAL 70 N 0.88 1.31 -0.57 -1.35 2.07 -1.34 -2.76 116.25 114.50 2gta h VAL 70 Ca 0.20 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 2gta h VAL 70 Cb 0.27 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2gta h VAL 70 CO -0.01 0.56 0.32 0.25 0.02 0.00 0.00 177.57 178.71 2gta h LEU 71 N 0.39 0.68 0.68 2.57 5.85 -0.85 -0.04 115.31 124.58 2gta h LEU 71 Ca -0.02 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2gta h LEU 71 Cb 1.18 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 42.04 2gta h LEU 71 CO 0.12 0.55 -0.33 0.15 -0.34 0.00 0.00 178.44 178.59 2gta h PHE 72 N 0.78 -0.84 -0.92 1.25 3.57 -1.02 -0.59 116.94 119.17 2gta h PHE 72 Ca 0.20 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.71 2gta h PHE 72 Cb 0.00 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 2gta h PHE 72 CO 0.00 -0.49 0.61 0.28 -2.23 0.00 0.00 178.31 176.48 2gta h VAL 73 N -1.05 1.19 -0.22 1.41 2.07 -1.36 0.27 116.25 118.56 2gta h VAL 73 Ca -0.09 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2gta h VAL 73 Cb 0.73 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2gta h VAL 73 CO 0.15 0.22 0.15 0.25 0.02 0.00 0.00 177.57 178.36 2gta h LEU 74 N 1.20 0.26 -0.24 2.57 7.12 -0.93 -1.41 115.31 123.88 2gta h LEU 74 Ca 0.35 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.34 2gta h LEU 74 Cb -0.06 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.00 2gta h LEU 74 CO -0.09 0.19 0.10 0.58 -0.13 0.00 0.00 178.44 179.08 2gta h VAL 75 N 0.30 1.16 -0.41 1.05 2.07 -0.05 -1.36 116.25 119.01 2gta h VAL 75 Ca 0.08 -0.48 0.09 0.00 0.82 0.00 0.00 66.70 67.21 2gta h VAL 75 Cb -0.03 1.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.69 2gta h VAL 75 CO -0.02 0.16 -0.16 0.00 0.02 0.00 0.00 177.57 177.57 2gta h LEU 77 N -0.08 0.20 -0.84 0.00 6.46 -1.09 -0.70 115.31 119.27 2gta h LEU 77 Ca 0.20 -0.01 0.15 0.00 -0.12 0.00 0.00 57.88 58.11 2gta h LEU 77 Cb 0.39 -0.05 -0.10 0.00 -0.73 0.00 0.00 40.66 40.17 2gta h LEU 77 CO -0.47 0.15 0.41 0.00 -0.62 0.00 0.00 178.44 177.91 2gta h ALA 78 N 1.07 1.27 0.06 1.25 0.00 -0.23 -1.75 119.26 120.92 2gta h ALA 78 Ca 0.06 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2gta h ALA 78 Cb -0.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2gta h ALA 78 CO -0.01 -0.14 -0.03 -0.91 0.00 0.00 0.00 179.25 178.16 2gta h ASN 79 N 0.57 -0.06 -0.97 0.00 2.35 -0.46 0.51 115.58 117.52 2gta h ASN 79 Ca 0.47 -0.42 0.18 0.00 -0.55 0.00 0.00 56.30 55.98 2gta h ASN 79 Cb 0.70 0.02 -0.09 0.00 0.05 0.00 0.00 38.32 39.00 2gta h ASN 79 CO -0.39 0.40 0.61 0.77 -1.65 0.00 0.00 177.43 177.17 2gta h SER 80 N -0.55 0.67 -0.52 5.81 4.64 -0.77 0.28 113.55 123.11 2gta h SER 80 Ca -0.01 0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 61.22 2gta h SER 80 Cb 0.48 -0.05 -0.09 0.00 -0.31 0.00 0.00 62.40 62.42 2gta h SER 80 CO 0.01 0.27 0.20 0.18 -0.87 0.00 0.00 176.83 176.62 2gta n LEU 81 N -4.65 4.84 -3.94 5.97 4.77 -0.69 -4.93 117.00 118.37 2gta n LEU 81 Ca 0.21 -2.51 -0.39 0.00 -0.03 0.00 0.00 56.01 53.29 2gta n LEU 81 Cb 0.59 -0.67 0.02 0.00 -2.33 0.00 0.00 43.42 41.02 2gta n LEU 81 CO 0.26 0.67 -0.16 0.47 -1.33 0.00 0.00 177.39 177.30 2gta n ASP 82 N -0.04 -4.55 -4.17 -1.43 8.00 0.98 -4.96 116.55 110.38 2gta n ASP 82 Ca 0.29 -1.17 -0.27 0.00 0.71 0.00 0.00 54.79 54.35 2gta n ASP 82 Cb 1.08 -1.99 -0.16 0.00 -0.02 0.00 0.00 41.12 40.03 2gta n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2gta s ILE 83 N -3.39 1.59 -0.46 0.53 1.01 0.18 -5.01 121.20 115.64 2gta s ILE 83 Ca 0.38 -0.81 -0.25 0.00 0.00 0.00 0.00 60.65 59.97 2gta s ILE 83 Cb -0.20 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 40.94 2gta s ILE 83 CO 0.94 0.45 0.89 -0.55 0.00 0.00 0.00 174.94 176.67 2gta s SER 84 N -0.04 6.46 0.32 3.58 0.15 -1.26 -4.41 113.70 118.51 2gta s SER 84 Ca -0.03 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2gta s SER 84 Cb -0.12 -2.43 0.54 0.00 -1.71 0.00 0.00 66.02 62.30 2gta s SER 84 CO 0.02 -1.03 1.97 0.25 1.20 0.00 0.00 173.24 175.66 2gta h LEU 85 N 10.48 0.80 -0.23 3.45 5.85 -1.98 0.32 115.31 133.99 2gta h LEU 85 Ca -0.24 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 2gta h LEU 85 Cb 1.08 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 2gta h LEU 85 CO 1.01 0.61 0.09 -0.08 -0.34 0.00 0.00 178.44 179.73 2gta h GLU 86 N 0.93 0.36 -0.38 1.25 4.81 -1.99 0.65 114.58 120.21 2gta h GLU 86 Ca 0.24 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2gta h GLU 86 Cb -0.05 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2gta h GLU 86 CO -0.05 0.42 0.17 0.93 -0.73 0.00 0.00 179.01 179.75 2gta h GLU 87 N 0.22 0.55 -0.70 1.92 5.08 -1.79 -1.78 114.58 118.08 2gta h GLU 87 Ca 0.08 -0.09 0.12 0.00 -1.00 0.00 0.00 59.36 58.47 2gta h GLU 87 Cb 0.20 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.27 2gta h GLU 87 CO -0.00 0.50 0.29 0.00 -1.00 0.00 0.00 179.01 178.79 2gta h ALA 88 N 1.02 0.96 0.61 3.43 0.00 -0.09 -1.37 119.26 123.83 2gta h ALA 88 Ca 0.13 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2gta h ALA 88 Cb 0.13 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2gta h ALA 88 CO -0.01 -0.16 -0.50 1.25 0.00 0.00 0.00 179.25 179.82 2gta h HIS 89 N 0.47 -1.37 -0.12 0.00 -0.00 -0.20 -2.01 115.15 111.92 2gta h HIS 89 Ca 0.37 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.78 2gta h HIS 89 Cb 0.49 0.52 -0.00 0.00 -0.00 0.00 0.00 27.41 28.42 2gta h HIS 89 CO -0.15 -0.70 0.11 -0.44 -0.00 0.00 0.00 177.93 176.74 2gta h ASP 90 N -1.09 0.00 -0.18 3.26 3.32 -0.93 0.84 116.42 121.65 2gta h ASP 90 Ca -0.08 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 2gta h ASP 90 Cb 0.91 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 2gta h ASP 90 CO -0.00 0.00 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.42 2gta h ARG 91 N 0.00 0.33 -0.83 3.56 2.43 -0.96 0.27 114.38 119.18 2gta h ARG 91 Ca 0.06 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2gta h ARG 91 Cb 0.27 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2gta h ARG 91 CO -0.00 0.54 0.00 0.28 -1.51 0.00 0.00 179.97 179.28 2gta n VAL 92 N -4.71 0.01 0.00 0.20 0.31 0.29 -2.02 118.33 112.41 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 0.23 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 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 0.69 0.00 -0.29 3.52 -0.00 0.08 -2.46 115.22 116.77 2gta n HIS 94 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 2gta n HIS 94 Cb 0.01 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.06 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 1.13 -0.13 1.57 1.57 -1.66 0.59 116.57 119.64 2gta h LYS 95 Ca 0.00 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 2gta h LYS 95 Cb 0.00 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 2gta h LYS 95 CO 0.00 0.88 -0.28 0.74 -0.57 0.00 0.00 179.45 180.22 2gta h PHE 96 N 1.11 0.26 0.00 -1.35 0.04 -1.78 -3.32 116.94 111.91 2gta h PHE 96 Ca 0.27 -0.05 -0.37 0.00 2.80 0.00 0.00 57.97 60.62 2gta h PHE 96 Cb 0.12 -0.07 -0.07 0.00 2.20 0.00 0.00 35.95 38.13 2gta h PHE 96 CO 0.01 0.50 -2.36 0.09 -0.60 0.00 0.00 178.31 175.95 2gta n ASN 97 N -4.14 0.11 -4.88 2.17 3.02 -1.01 -4.95 115.26 105.58 2gta n ASN 97 Ca -0.01 0.02 -0.30 0.00 -0.03 0.00 0.00 54.58 54.26 2gta n ASN 97 Cb 0.38 0.90 0.00 0.00 -0.61 0.00 0.00 39.78 40.45 2gta n ASN 97 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2gta s THR 98 N -2.50 4.77 -1.79 3.41 -4.23 0.20 -4.07 115.64 111.44 2gta s THR 98 Ca -0.11 0.65 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 2gta s THR 98 Cb 0.06 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 70.05 2gta s THR 98 CO 0.82 -0.97 0.00 0.54 -0.54 0.00 0.00 174.62 174.47 2gta n ARG 99 N -2.40 -1.69 -0.67 3.99 1.74 -1.26 -4.85 116.66 111.51 2gta n ARG 99 Ca 0.04 1.01 0.00 0.00 -0.77 0.00 0.00 57.85 58.13 2gta n ARG 99 Cb 0.54 -5.65 0.00 0.00 -1.02 0.00 0.00 32.46 26.33 2gta n ARG 99 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86