#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uua n SER 17 N 0.00 -3.47 -2.79 3.54 2.88 -1.26 -5.00 113.62 107.51 2uua n SER 17 Ca 0.00 -0.95 0.00 0.00 -1.33 0.00 0.00 58.87 56.59 2uua n SER 17 Cb 0.00 -3.62 0.00 0.00 -0.75 0.00 0.00 64.21 59.84 2uua n SER 17 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2uua n ARG 18 N -4.17 1.24 0.00 -1.46 5.12 -1.26 -4.83 116.66 111.30 2uua n ARG 18 Ca -0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 2uua n ARG 18 Cb 0.63 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.93 2uua n ARG 18 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2uua n LYS 19 N 0.00 0.00 -3.91 5.56 3.00 -1.26 -4.89 118.16 116.66 2uua n LYS 19 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.06 2uua n LYS 19 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 2uua n LYS 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2uua s ALA 20 N -1.11 3.94 0.00 3.14 0.00 -1.26 -5.09 121.76 121.37 2uua s ALA 20 Ca 0.00 -1.05 -0.18 0.00 0.00 0.00 0.00 51.96 50.73 2uua s ALA 20 Cb 0.00 -1.80 -0.06 0.00 0.00 0.00 0.00 23.12 21.26 2uua s ALA 20 CO 0.00 0.45 0.51 0.15 0.00 0.00 0.00 175.76 176.87 2uua s LYS 21 N -3.44 4.16 0.49 0.00 3.01 -1.26 -4.97 119.74 117.74 2uua s LYS 21 Ca 0.35 0.59 0.25 0.00 -1.01 0.00 0.00 55.97 56.14 2uua s LYS 21 Cb -0.11 -3.29 1.31 0.00 -1.01 0.00 0.00 37.83 34.74 2uua s LYS 21 CO 0.29 0.51 1.91 0.28 0.51 0.00 0.00 175.35 178.85 2uua h VAL 22 N 3.92 0.65 0.15 3.17 2.07 -1.53 -1.62 116.25 123.07 2uua h VAL 22 Ca -0.48 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2uua h VAL 22 Cb 1.21 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2uua h VAL 22 CO 0.66 0.03 -0.07 0.50 0.02 0.00 0.00 177.57 178.71 2uua h LYS 23 N 0.15 -0.20 -0.17 1.57 3.64 -1.73 -3.31 116.57 116.53 2uua h LYS 23 Ca 0.39 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.83 2uua h LYS 23 Cb 1.31 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 33.11 2uua h LYS 23 CO -0.06 0.25 -0.35 0.00 -2.27 0.00 0.00 179.45 177.02 2uua h ALA 24 N -0.22 -0.40 0.00 5.00 0.00 -1.76 -2.61 119.26 119.27 2uua h ALA 24 Ca -0.02 0.02 -0.49 0.00 0.00 0.00 0.00 54.91 54.43 2uua h ALA 24 Cb 0.53 0.67 0.04 0.00 0.00 0.00 0.00 17.79 19.03 2uua h ALA 24 CO 0.03 -0.82 2.27 2.41 0.00 0.00 0.00 179.25 183.14 2uua n THR 25 N -5.42 1.81 0.00 0.00 -1.04 -0.64 -4.69 114.28 104.30 2uua n THR 25 Ca -0.03 -1.31 0.00 0.00 -2.04 0.00 0.00 64.05 60.67 2uua n THR 25 Cb 0.34 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 66.69 2uua n THR 25 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2uua n LEU 26 N 6.06 0.00 0.00 -4.42 7.94 -0.98 -4.87 117.00 120.72 2uua n LEU 26 Ca 0.43 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 2uua n LEU 26 Cb 0.26 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.21 2uua n LEU 26 CO 0.87 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.76 2uua n GLY 27 N -0.14 4.29 3.75 -3.96 0.00 -1.26 -5.02 105.19 102.85 2uua n GLY 27 Ca 0.00 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 2uua n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2uua s GLU 28 N -0.43 4.19 0.04 1.61 2.12 -1.26 -5.01 118.70 119.97 2uua s GLU 28 Ca 0.00 2.44 -0.21 0.00 0.36 0.00 0.00 54.97 57.56 2uua s GLU 28 Cb 0.00 -3.06 0.05 0.00 0.26 0.00 0.00 34.13 31.37 2uua s GLU 28 CO 0.00 -0.52 0.49 -0.59 -0.54 0.00 0.00 175.26 174.10 2uua s PHE 29 N -0.04 -0.38 -0.61 5.30 -0.12 -1.26 -5.12 117.98 115.75 2uua s PHE 29 Ca 0.61 0.42 -0.23 0.00 -0.05 0.00 0.00 56.93 57.68 2uua s PHE 29 Cb -0.45 0.31 0.06 0.00 -0.63 0.00 0.00 43.02 42.31 2uua s PHE 29 CO 0.46 -0.62 0.92 0.34 -0.05 0.00 0.00 175.22 176.27 2uua s ASP 30 N -1.94 6.23 0.52 1.98 2.15 -1.26 -4.87 116.67 119.47 2uua s ASP 30 Ca -0.06 -0.78 0.27 0.00 0.43 0.00 0.00 52.55 52.42 2uua s ASP 30 Cb -0.01 -2.41 1.48 0.00 -0.30 0.00 0.00 42.92 41.69 2uua s ASP 30 CO -0.01 -1.31 1.81 -0.07 -0.17 0.00 0.00 175.17 175.42 2uua h LEU 31 N 11.02 0.00 -0.55 -1.34 3.38 -1.99 0.07 115.31 125.91 2uua h LEU 31 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2uua h LEU 31 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2uua h LEU 31 CO 1.13 0.00 -0.34 -1.14 0.09 0.00 0.00 178.44 178.17 2uua n ARG 32 N -2.60 0.83 -2.68 1.13 0.63 -1.26 -4.50 116.66 108.22 2uua n ARG 32 Ca -0.02 -0.55 -0.42 0.00 -0.92 0.00 0.00 57.85 55.94 2uua n ARG 32 Cb 0.23 -1.49 -0.03 0.00 0.45 0.00 0.00 32.46 31.62 2uua n ARG 32 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2uua s ASP 33 N -2.55 6.22 0.00 6.15 2.15 0.01 -4.87 116.67 123.78 2uua s ASP 33 Ca 0.22 -0.80 0.00 0.00 0.43 0.00 0.00 52.55 52.39 2uua s ASP 33 Cb 0.19 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 2uua s ASP 33 CO 0.55 -1.63 0.62 0.00 -0.17 0.00 0.00 175.17 174.54 2uua n TYR 34 N 8.61 0.00 0.02 -5.34 0.18 -1.26 -3.47 117.16 115.90 2uua n TYR 34 Ca 0.04 0.00 0.01 0.00 1.88 0.00 0.00 57.90 59.83 2uua n TYR 34 Cb 0.48 -0.04 -0.02 0.00 -0.38 0.00 0.00 39.34 39.38 2uua n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2uua n ARG 35 N -0.21 1.12 -2.01 -3.48 1.74 -1.26 -4.16 116.66 108.40 2uua n ARG 35 Ca 0.00 -0.02 -0.33 0.00 -0.77 0.00 0.00 57.85 56.73 2uua n ARG 35 Cb 0.10 -0.98 -0.05 0.00 -1.02 0.00 0.00 32.46 30.50 2uua n ARG 35 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2uua n ASN 36 N -1.50 3.32 -0.28 0.55 4.05 -1.23 -4.74 115.26 115.44 2uua n ASN 36 Ca -0.00 -2.73 0.03 0.00 0.45 0.00 0.00 54.58 52.32 2uua n ASN 36 Cb 0.06 -1.66 0.16 0.00 1.23 0.00 0.00 39.78 39.58 2uua n ASN 36 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 2uua h VAL 37 N 5.78 0.89 -0.99 3.44 2.07 -1.91 -0.56 116.25 124.97 2uua h VAL 37 Ca 0.29 -0.25 0.19 0.00 0.82 0.00 0.00 66.70 67.75 2uua h VAL 37 Cb 0.88 0.09 -0.10 0.00 -1.52 0.00 0.00 31.29 30.65 2uua h VAL 37 CO 1.38 0.13 0.61 -0.33 0.02 0.00 0.00 177.57 179.39 2uua h GLU 38 N 0.73 0.67 0.04 1.57 4.39 -1.98 0.18 114.58 120.17 2uua h GLU 38 Ca 0.38 -0.04 -0.31 0.00 0.34 0.00 0.00 59.36 59.73 2uua h GLU 38 Cb 0.37 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 2uua h GLU 38 CO -0.26 0.44 -1.73 1.55 -1.16 0.00 0.00 179.01 177.86 2uua n VAL 39 N -4.70 1.61 -0.34 3.13 3.14 -0.77 -4.26 118.33 116.16 2uua n VAL 39 Ca 0.22 -0.31 -0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2uua n VAL 39 Cb 0.60 -1.89 0.13 0.00 -1.06 0.00 0.00 33.84 31.62 2uua n VAL 39 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2uua h LEU 40 N -0.59 0.97 -1.87 6.55 3.38 -1.01 -0.43 115.31 122.31 2uua h LEU 40 Ca -0.43 -0.00 0.28 0.00 0.09 0.00 0.00 57.88 57.82 2uua h LEU 40 Cb 1.62 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 42.12 2uua h LEU 40 CO -0.13 0.65 0.80 0.50 0.09 0.00 0.00 178.44 180.35 2uua h LYS 41 N 1.13 0.00 0.00 1.13 3.64 -0.83 0.35 116.57 121.98 2uua h LYS 41 Ca 0.37 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 2uua h LYS 41 Cb 0.04 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2uua h LYS 41 CO -0.13 0.00 -0.03 0.00 -2.27 0.00 0.00 179.45 177.02 2uua h ARG 42 N 0.00 0.00 -0.09 1.90 3.08 -1.25 -3.10 114.38 114.93 2uua h ARG 42 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 2uua h ARG 42 Cb 2.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.10 2uua h ARG 42 CO -0.00 0.03 0.00 1.19 -1.07 0.00 0.00 179.97 180.11 2uua n PHE 43 N -3.12 0.10 -3.77 3.04 3.01 0.12 -4.86 117.46 111.99 2uua n PHE 43 Ca 0.02 -0.05 -0.28 0.00 1.01 0.00 0.00 57.45 58.14 2uua n PHE 43 Cb 0.40 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.83 2uua n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2uua s LEU 44 N -1.79 4.27 0.00 4.37 1.43 -1.17 -0.40 118.68 125.39 2uua s LEU 44 Ca 0.35 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 2uua s LEU 44 Cb 0.19 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.31 2uua s LEU 44 CO 0.30 0.01 0.00 -1.54 0.23 0.00 0.00 176.35 175.35 2uua n SER 45 N -0.44 -0.22 -0.19 2.29 3.41 0.11 -4.82 113.62 113.77 2uua n SER 45 Ca -0.05 -0.68 -0.03 0.00 -0.26 0.00 0.00 58.87 57.85 2uua n SER 45 Cb 0.53 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.65 2uua n SER 45 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2uua h GLU 46 N 0.00 0.96 -7.55 4.33 3.07 -1.99 -3.40 114.58 110.00 2uua h GLU 46 Ca 0.00 -0.17 -0.45 0.00 -0.50 0.00 0.00 59.36 58.24 2uua h GLU 46 Cb 0.00 -0.16 0.13 0.00 -0.84 0.00 0.00 28.75 27.88 2uua h GLU 46 CO 0.00 0.80 0.30 0.99 -1.40 0.00 0.00 179.01 179.70 2uua s THR 47 N -5.40 2.05 -0.34 1.13 2.01 -1.26 -4.77 115.64 109.06 2uua s THR 47 Ca -0.11 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.68 2uua s THR 47 Cb 0.16 -2.81 0.24 0.00 0.01 0.00 0.00 72.50 70.10 2uua s THR 47 CO 0.81 0.00 1.19 0.61 -0.69 0.00 0.00 174.62 176.53 2uua n GLY 48 N -3.40 2.57 3.80 4.40 0.00 -1.26 -4.72 105.19 106.58 2uua n GLY 48 Ca 0.15 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2uua n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uua s LYS 49 N -1.26 4.43 -0.19 1.61 1.02 -1.26 -4.52 119.74 119.57 2uua s LYS 49 Ca 0.19 1.16 -0.29 0.00 0.02 0.00 0.00 55.97 57.05 2uua s LYS 49 Cb 0.15 -2.71 -0.01 0.00 -0.52 0.00 0.00 37.83 34.74 2uua s LYS 49 CO 0.04 0.26 1.32 0.42 -0.92 0.00 0.00 175.35 176.46 2uua s ILE 50 N -1.69 4.18 0.60 2.17 1.01 -1.26 0.09 121.20 126.29 2uua s ILE 50 Ca 0.50 1.40 -0.20 0.00 0.00 0.00 0.00 60.65 62.36 2uua s ILE 50 Cb -0.16 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 2uua s ILE 50 CO 0.21 -0.20 1.33 -0.76 0.00 0.00 0.00 174.94 175.52 2uua s LEU 51 N 3.79 3.71 0.83 2.97 1.43 0.46 -4.91 118.68 126.95 2uua s LEU 51 Ca 0.57 2.71 -0.11 0.00 -1.03 0.00 0.00 54.13 56.26 2uua s LEU 51 Cb -0.22 -4.45 0.09 0.00 0.03 0.00 0.00 46.19 41.64 2uua s LEU 51 CO 0.18 -1.81 1.09 -2.84 0.23 0.00 0.00 176.35 173.20 2uua s PRO 52 N -3.15 1.84 0.24 1.29 0.02 -1.26 -4.70 135.00 129.28 2uua s PRO 52 Ca 0.77 0.79 -0.07 0.00 0.02 0.00 0.00 61.00 62.52 2uua s PRO 52 Cb -0.39 -1.88 0.29 0.00 0.02 0.00 0.00 34.50 32.54 2uua s PRO 52 CO 0.44 -1.83 1.87 0.00 -0.33 0.00 0.00 177.00 177.15 2uua h ARG 53 N -1.25 1.00 -1.24 5.54 2.47 -1.95 0.28 114.38 119.23 2uua h ARG 53 Ca -0.47 -0.06 0.36 0.00 -1.26 0.00 0.00 59.98 58.54 2uua h ARG 53 Cb 1.27 -0.22 -0.06 0.00 -1.65 0.00 0.00 29.97 29.30 2uua h ARG 53 CO 0.56 0.66 0.88 0.00 0.56 0.00 0.00 179.97 182.64 2uua h ARG 54 N 1.03 0.04 0.00 0.04 -0.00 -1.92 -0.85 114.38 112.72 2uua h ARG 54 Ca 0.35 -0.00 -0.31 0.00 -0.50 0.00 0.00 59.98 59.52 2uua h ARG 54 Cb 0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 29.97 29.98 2uua h ARG 54 CO -0.14 0.02 -2.17 0.54 0.00 0.00 0.00 179.97 178.22 2uua n ARG 55 N -4.21 0.51 0.16 0.04 5.12 -0.27 -4.51 116.66 113.50 2uua n ARG 55 Ca 0.27 0.12 0.13 0.00 -1.93 0.00 0.00 57.85 56.44 2uua n ARG 55 Cb 1.28 -1.41 0.52 0.00 -1.16 0.00 0.00 32.46 31.69 2uua n ARG 55 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 2uua h THR 56 N -0.01 0.00 -0.68 0.55 1.35 -0.17 -2.42 112.91 111.53 2uua h THR 56 Ca -0.46 -0.30 -0.29 0.00 -0.55 0.00 0.00 66.41 64.81 2uua h THR 56 Cb 1.71 1.10 -0.12 0.00 -1.73 0.00 0.00 68.15 69.11 2uua h THR 56 CO -0.07 0.00 -0.27 0.61 -0.25 0.00 0.00 175.52 175.54 2uua n GLY 57 N 0.08 1.40 3.96 5.82 0.00 -0.36 -2.26 105.19 113.84 2uua n GLY 57 Ca 0.02 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 2uua n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uua s LEU 58 N -3.26 2.96 0.37 0.99 1.43 -1.26 -4.79 118.68 115.12 2uua s LEU 58 Ca 0.00 0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.18 2uua s LEU 58 Cb 0.00 -2.53 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 2uua s LEU 58 CO 0.00 -1.74 0.52 -0.94 0.23 0.00 0.00 176.35 174.41 2uua s SER 59 N -4.63 5.90 0.09 2.29 1.04 -1.26 -4.87 113.70 112.27 2uua s SER 59 Ca 0.64 -0.13 -0.31 0.00 0.48 0.00 0.00 55.95 56.63 2uua s SER 59 Cb -0.08 -1.21 -0.14 0.00 0.10 0.00 0.00 66.02 64.69 2uua s SER 59 CO 0.44 -0.52 1.63 0.00 0.98 0.00 0.00 173.24 175.77 2uua h ALA 60 N 0.77 -0.71 -0.88 5.32 0.00 -1.99 0.40 119.26 122.17 2uua h ALA 60 Ca -0.45 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 54.49 2uua h ALA 60 Cb 1.26 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 19.36 2uua h ALA 60 CO 0.53 -0.92 0.47 -0.22 0.00 0.00 0.00 179.25 179.10 2uua h LYS 61 N -0.70 0.62 0.59 0.00 3.64 -1.99 0.11 116.57 118.83 2uua h LYS 61 Ca -0.04 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 2uua h LYS 61 Cb 0.61 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2uua h LYS 61 CO -0.00 0.41 -0.28 0.93 -2.27 0.00 0.00 179.45 178.23 2uua h GLU 62 N 0.64 -0.76 -0.95 1.90 5.08 -1.79 -2.77 114.58 115.93 2uua h GLU 62 Ca 0.49 0.05 0.29 0.00 -1.00 0.00 0.00 59.36 59.20 2uua h GLU 62 Cb 0.73 0.17 -0.15 0.00 0.50 0.00 0.00 28.75 30.00 2uua h GLU 62 CO -0.38 -0.51 0.35 0.37 -1.00 0.00 0.00 179.01 177.85 2uua h GLN 63 N -1.10 0.19 -0.57 2.33 5.75 0.24 0.42 115.11 122.36 2uua h GLN 63 Ca -0.08 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 2uua h GLN 63 Cb 0.61 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.09 2uua h GLN 63 CO 0.13 0.12 0.34 -0.09 -2.65 0.00 0.00 178.83 176.69 2uua h ARG 64 N 0.19 0.78 -0.48 1.69 2.43 -0.77 -0.69 114.38 117.53 2uua h ARG 64 Ca 0.66 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.67 2uua h ARG 64 Cb 1.45 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 2uua h ARG 64 CO -0.69 0.56 -0.02 0.82 -1.51 0.00 0.00 179.97 179.13 2uua h ILE 65 N 0.77 1.26 0.48 1.20 2.04 0.03 -2.93 117.51 120.36 2uua h ILE 65 Ca 0.20 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 2uua h ILE 65 Cb -0.01 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2uua h ILE 65 CO -0.04 0.38 -0.43 0.25 0.00 0.00 0.00 178.15 178.31 2uua h LEU 66 N 0.72 -1.17 -0.96 1.44 5.85 -0.55 -0.80 115.31 119.85 2uua h LEU 66 Ca 0.13 0.09 0.27 0.00 0.84 0.00 0.00 57.88 59.22 2uua h LEU 66 Cb 0.54 0.38 -0.17 0.00 0.37 0.00 0.00 40.66 41.77 2uua h LEU 66 CO 0.03 -0.59 0.11 0.00 -0.34 0.00 0.00 178.44 177.65 2uua h ALA 67 N -1.08 1.27 0.53 1.25 0.00 -1.15 0.39 119.26 120.47 2uua h ALA 67 Ca -0.06 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2uua h ALA 67 Cb 0.77 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2uua h ALA 67 CO -0.03 -0.59 -0.28 -0.22 0.00 0.00 0.00 179.25 178.14 2uua h LYS 68 N 0.05 -0.72 -0.04 0.00 1.63 -1.23 -1.21 116.57 115.04 2uua h LYS 68 Ca 0.61 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.46 2uua h LYS 68 Cb 1.29 0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 33.08 2uua h LYS 68 CO -0.85 -0.48 0.01 1.79 -3.45 0.00 0.00 179.45 176.47 2uua h THR 69 N -0.75 0.99 -0.26 1.00 1.35 0.10 -2.44 112.91 112.91 2uua h THR 69 Ca -0.07 -0.01 0.06 0.00 -0.55 0.00 0.00 66.41 65.84 2uua h THR 69 Cb 0.59 0.96 -0.08 0.00 -1.73 0.00 0.00 68.15 67.89 2uua h THR 69 CO 0.10 0.01 -0.33 0.40 -0.25 0.00 0.00 175.52 175.44 2uua h ILE 70 N 0.03 0.24 -1.00 6.82 2.04 -0.41 0.97 117.51 126.21 2uua h ILE 70 Ca 0.02 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.11 2uua h ILE 70 Cb 0.01 0.24 -0.09 0.00 -0.74 0.00 0.00 36.82 36.24 2uua h ILE 70 CO -0.02 0.00 0.64 0.11 0.00 0.00 0.00 178.15 178.88 2uua h LYS 71 N -0.34 0.47 -0.17 2.37 1.57 -1.03 0.16 116.57 119.59 2uua h LYS 71 Ca 0.13 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2uua h LYS 71 Cb 0.55 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2uua h LYS 71 CO -0.44 0.31 0.04 0.00 -0.57 0.00 0.00 179.45 178.78 2uua h ARG 72 N 0.48 0.28 -0.33 3.15 3.08 -0.37 -2.74 114.38 117.93 2uua h ARG 72 Ca 0.56 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.58 2uua h ARG 72 Cb 1.28 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.26 2uua h ARG 72 CO -0.29 0.43 0.11 0.00 -1.07 0.00 0.00 179.97 179.16 2uua h ALA 73 N 0.84 0.38 -0.59 0.04 0.00 0.44 -2.04 119.26 118.32 2uua h ALA 73 Ca 0.05 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.12 2uua h ALA 73 Cb 0.28 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 2uua h ALA 73 CO 0.00 -0.28 0.09 0.00 0.00 0.00 0.00 179.25 179.06 2uua h ARG 74 N 0.26 0.21 -0.13 0.00 3.08 -1.05 0.47 114.38 117.22 2uua h ARG 74 Ca 0.15 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 2uua h ARG 74 Cb 0.12 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2uua h ARG 74 CO -0.15 0.14 -0.17 0.82 -1.07 0.00 0.00 179.97 179.54 2uua h ILE 75 N 0.21 1.19 0.00 2.04 2.04 -1.11 -1.58 117.51 120.31 2uua h ILE 75 Ca 0.31 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 2uua h ILE 75 Cb 0.48 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2uua h ILE 75 CO -0.43 0.26 -0.15 -0.07 0.00 0.00 0.00 178.15 177.76 2uua h LEU 76 N 0.20 0.00 0.00 1.44 3.38 -0.27 -3.46 115.31 116.59 2uua h LEU 76 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2uua h LEU 76 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2uua h LEU 76 CO 0.03 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.31 2uua n GLY 77 N 0.16 0.97 0.32 0.83 0.00 -0.56 -4.96 105.19 101.96 2uua n GLY 77 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 2uua n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2uua h LEU 78 N 0.00 0.95 -8.89 0.99 3.38 -1.66 -3.44 115.31 106.64 2uua h LEU 78 Ca 0.00 -0.17 -0.60 0.00 0.09 0.00 0.00 57.88 57.20 2uua h LEU 78 Cb 0.00 -0.25 -0.19 0.00 0.09 0.00 0.00 40.66 40.31 2uua h LEU 78 CO 0.00 0.89 -0.82 -0.76 0.09 0.00 0.00 178.44 177.84 2uua s LEU 79 N -9.50 2.40 0.63 1.67 1.43 -1.19 -4.95 118.68 109.17 2uua s LEU 79 Ca -0.11 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.05 2uua s LEU 79 Cb 0.15 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 2uua s LEU 79 CO 0.82 0.07 1.04 -2.16 0.23 0.00 0.00 176.35 176.35 2uua s PRO 80 N -2.50 3.42 -0.16 1.29 0.04 -1.26 -3.88 135.00 131.95 2uua s PRO 80 Ca 0.16 0.86 0.12 0.00 0.04 0.00 0.00 61.00 62.17 2uua s PRO 80 Cb -0.08 -2.06 -0.23 0.00 0.04 0.00 0.00 34.50 32.17 2uua s PRO 80 CO 0.07 -0.72 0.21 1.19 0.04 0.00 0.00 177.00 177.80 2uua n PHE 81 N -2.72 0.38 -3.64 0.56 3.01 -1.26 -4.84 117.46 108.95 2uua n PHE 81 Ca 0.07 0.12 -0.10 0.00 1.01 0.00 0.00 57.45 58.55 2uua n PHE 81 Cb 0.54 -1.07 -0.07 0.00 -0.01 0.00 0.00 39.48 38.87 2uua n PHE 81 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 2uua s THR 82 N -2.53 0.00 0.28 4.37 -1.32 -1.26 -4.50 115.64 110.68 2uua s THR 82 Ca -0.13 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.45 2uua s THR 82 Cb 0.07 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.01 2uua s THR 82 CO 0.79 0.00 -0.11 -1.61 -2.21 0.00 0.00 174.62 171.48 2uua s GLU 83 N 0.42 1.95 0.04 7.08 0.41 -1.26 -4.69 118.70 122.65 2uua s GLU 83 Ca 0.01 -1.62 -0.27 0.00 -0.41 0.00 0.00 54.97 52.67 2uua s GLU 83 Cb -0.05 -1.94 -0.05 0.00 -1.78 0.00 0.00 34.13 30.31 2uua s GLU 83 CO -0.06 0.34 0.86 0.15 -0.49 0.00 0.00 175.26 176.06 2uua s LYS 84 N -3.59 4.56 -0.01 1.61 1.02 -1.26 -4.50 119.74 117.57 2uua s LYS 84 Ca 0.31 1.23 -0.30 0.00 0.02 0.00 0.00 55.97 57.22 2uua s LYS 84 Cb -0.05 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 2uua s LYS 84 CO 0.17 0.16 1.38 -1.17 -0.92 0.00 0.00 175.35 174.97 2uua s LEU 85 N 0.32 4.31 0.18 3.17 2.96 -1.26 -4.90 118.68 123.47 2uua s LEU 85 Ca 0.44 2.08 -0.01 0.00 -0.22 0.00 0.00 54.13 56.43 2uua s LEU 85 Cb -0.21 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 2uua s LEU 85 CO 0.25 -0.71 0.37 -0.69 -1.32 0.00 0.00 176.35 174.25 2uua s VAL 86 N 2.38 5.23 0.00 1.68 1.01 -1.26 -4.93 120.40 124.51 2uua s VAL 86 Ca 0.63 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2uua s VAL 86 Cb -0.31 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2uua s VAL 86 CO 0.26 -0.13 0.00 -1.14 0.00 0.00 0.00 175.10 174.09 2uua n ARG 87 N -0.55 0.00 0.00 2.72 0.63 -1.26 -5.20 116.66 113.00 2uua n ARG 87 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2uua n ARG 87 Cb 0.54 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.45 2uua n ARG 87 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75