#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdg n ALA 20 N 0.00 0.00 -2.31 3.14 0.00 -1.26 -5.11 120.51 114.97 2wdg n ALA 20 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2wdg n ALA 20 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2wdg n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wdg s LYS 21 N 0.00 4.26 0.66 0.00 1.02 -1.26 -4.90 119.74 119.53 2wdg s LYS 21 Ca 0.00 1.83 0.33 0.00 0.02 0.00 0.00 55.97 58.14 2wdg s LYS 21 Cb 0.00 -3.70 1.78 0.00 -0.52 0.00 0.00 37.83 35.39 2wdg s LYS 21 CO 0.00 -0.63 2.01 0.28 -0.92 0.00 0.00 175.35 176.09 2wdg h VAL 22 N 5.24 0.04 0.00 3.17 2.07 -1.52 -3.26 116.25 121.99 2wdg h VAL 22 Ca -0.33 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2wdg h VAL 22 Cb 1.15 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2wdg h VAL 22 CO 0.93 0.00 0.00 1.17 0.02 0.00 0.00 177.57 179.69 2wdg n LYS 23 N -3.01 0.00 -2.00 1.57 3.00 -0.69 -2.69 118.16 114.35 2wdg n LYS 23 Ca -0.02 0.74 -0.38 0.00 -0.00 0.00 0.00 58.31 58.65 2wdg n LYS 23 Cb 0.33 -1.38 -0.01 0.00 0.00 0.00 0.00 35.03 33.97 2wdg n LYS 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wdg n ALA 24 N -2.28 6.67 -0.64 3.14 0.00 -1.23 -3.59 120.51 122.58 2wdg n ALA 24 Ca 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 53.44 49.44 2wdg n ALA 24 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 16.85 2wdg n ALA 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wdg n THR 25 N 1.34 0.21 -4.09 0.00 -1.04 -1.09 -5.03 114.28 104.57 2wdg n THR 25 Ca 0.59 -0.28 -0.10 0.00 -2.04 0.00 0.00 64.05 62.21 2wdg n THR 25 Cb 0.29 1.17 -0.10 0.00 -1.82 0.00 0.00 70.33 69.86 2wdg n THR 25 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wdg s LEU 26 N -0.21 2.40 0.00 -4.42 1.43 -1.24 -5.10 118.68 111.54 2wdg s LEU 26 Ca 0.00 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 2wdg s LEU 26 Cb 0.00 0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.24 2wdg s LEU 26 CO 0.00 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 176.77 2wdg n GLY 27 N 0.62 0.34 3.71 -3.19 0.00 -1.26 -4.95 105.19 100.47 2wdg n GLY 27 Ca -0.17 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 2wdg n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wdg s GLU 28 N 0.00 4.51 -0.11 1.61 2.12 -1.26 -5.03 118.70 120.54 2wdg s GLU 28 Ca 0.00 1.24 -0.13 0.00 0.36 0.00 0.00 54.97 56.44 2wdg s GLU 28 Cb 0.00 -3.46 0.03 0.00 0.26 0.00 0.00 34.13 30.96 2wdg s GLU 28 CO 0.00 -0.03 0.35 -0.59 -0.54 0.00 0.00 175.26 174.45 2wdg s PHE 29 N 1.00 -0.35 -0.93 5.30 -0.12 -1.26 -5.10 117.98 116.54 2wdg s PHE 29 Ca 0.47 0.80 -0.24 0.00 -0.05 0.00 0.00 56.93 57.91 2wdg s PHE 29 Cb -0.20 0.13 0.03 0.00 -0.63 0.00 0.00 43.02 42.35 2wdg s PHE 29 CO 0.24 -0.24 1.51 0.34 -0.05 0.00 0.00 175.22 177.03 2wdg s ASP 30 N -0.16 6.17 0.00 1.98 2.15 -1.26 -4.86 116.67 120.69 2wdg s ASP 30 Ca -0.03 -1.04 0.00 0.00 0.43 0.00 0.00 52.55 51.90 2wdg s ASP 30 Cb -0.03 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 2wdg s ASP 30 CO 0.01 -1.81 1.17 0.00 -0.17 0.00 0.00 175.17 174.37 2wdg n LEU 31 N 9.95 3.29 -0.03 -1.34 -0.00 -1.26 -1.63 117.00 125.99 2wdg n LEU 31 Ca 0.27 -1.56 -0.03 0.00 -0.00 0.00 0.00 56.01 54.69 2wdg n LEU 31 Cb 0.50 -0.62 -0.04 0.00 -0.00 0.00 0.00 43.42 43.26 2wdg n LEU 31 CO 0.66 0.59 -0.67 -1.14 -0.00 0.00 0.00 177.39 176.83 2wdg n ARG 32 N 0.94 2.29 -1.80 1.47 3.00 -1.26 -4.26 116.66 117.04 2wdg n ARG 32 Ca 0.00 0.01 -0.42 0.00 -0.00 0.00 0.00 57.85 57.44 2wdg n ARG 32 Cb 0.43 -1.12 -0.03 0.00 0.00 0.00 0.00 32.46 31.73 2wdg n ARG 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2wdg s ASP 33 N -3.90 6.53 -0.59 6.15 3.68 -0.65 -4.87 116.67 123.02 2wdg s ASP 33 Ca -0.04 2.53 -0.02 0.00 2.13 0.00 0.00 52.55 57.15 2wdg s ASP 33 Cb 0.02 -2.54 0.36 0.00 -1.45 0.00 0.00 42.92 39.31 2wdg s ASP 33 CO 0.18 -1.00 2.07 0.00 0.13 0.00 0.00 175.17 176.56 2wdg n TYR 34 N 7.07 2.70 0.00 -5.34 0.18 -1.26 -4.54 117.16 115.97 2wdg n TYR 34 Ca 0.19 -2.64 0.00 0.00 1.88 0.00 0.00 57.90 57.32 2wdg n TYR 34 Cb 0.41 -1.30 0.00 0.00 -0.38 0.00 0.00 39.34 38.07 2wdg n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2wdg n ARG 35 N -0.47 0.00 -0.06 -3.48 1.74 -1.26 -4.44 116.66 108.69 2wdg n ARG 35 Ca 0.53 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.59 2wdg n ARG 35 Cb 0.59 -0.35 -0.00 0.00 -1.02 0.00 0.00 32.46 31.67 2wdg n ARG 35 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2wdg n ASN 36 N -1.89 0.04 -0.54 0.55 6.94 -1.26 -4.62 115.26 114.48 2wdg n ASN 36 Ca 0.00 -1.91 0.41 0.00 -0.02 0.00 0.00 54.58 53.05 2wdg n ASN 36 Cb 0.03 -0.46 0.63 0.00 -2.36 0.00 0.00 39.78 37.61 2wdg n ASN 36 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2wdg n VAL 37 N 4.90 -0.01 -0.00 3.53 0.24 -1.26 0.15 118.33 125.88 2wdg n VAL 37 Ca 0.02 1.16 -0.12 0.00 -2.04 0.00 0.00 64.34 63.36 2wdg n VAL 37 Cb 0.02 -1.94 -0.08 0.00 -1.47 0.00 0.00 33.84 30.37 2wdg n VAL 37 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2wdg h GLU 38 N 0.00 0.07 0.68 7.34 5.08 -1.99 1.14 114.58 126.90 2wdg h GLU 38 Ca 0.72 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 59.04 2wdg h GLU 38 Cb 2.87 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 32.11 2wdg h GLU 38 CO -0.03 0.30 -0.42 0.28 -1.00 0.00 0.00 179.01 178.14 2wdg h VAL 39 N -0.17 0.16 0.45 3.13 2.07 0.10 -3.24 116.25 118.75 2wdg h VAL 39 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 2wdg h VAL 39 Cb 0.26 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2wdg h VAL 39 CO 0.00 0.00 -0.23 -0.07 0.02 0.00 0.00 177.57 177.29 2wdg h LEU 40 N -1.04 -0.55 -1.79 2.57 3.38 -1.43 -3.00 115.31 113.45 2wdg h LEU 40 Ca -0.09 0.02 0.54 0.00 0.09 0.00 0.00 57.88 58.45 2wdg h LEU 40 Cb 0.83 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.64 2wdg h LEU 40 CO 0.09 -0.38 1.26 1.17 0.09 0.00 0.00 178.44 180.67 2wdg n LYS 41 N -5.36 -0.01 0.04 1.13 3.00 0.39 0.70 118.16 118.06 2wdg n LYS 41 Ca -0.11 1.12 0.09 0.00 -0.00 0.00 0.00 58.31 59.41 2wdg n LYS 41 Cb 0.27 -2.47 0.39 0.00 0.00 0.00 0.00 35.03 33.22 2wdg n LYS 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wdg n ARG 42 N -4.13 0.07 0.01 1.64 0.63 -1.13 -2.50 116.66 111.25 2wdg n ARG 42 Ca 0.43 0.29 0.11 0.00 -0.92 0.00 0.00 57.85 57.76 2wdg n ARG 42 Cb 1.87 -1.62 0.04 0.00 0.45 0.00 0.00 32.46 33.20 2wdg n ARG 42 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2wdg n PHE 43 N -1.75 0.09 -3.12 -0.14 3.01 0.22 -4.90 117.46 110.87 2wdg n PHE 43 Ca 0.03 0.03 -0.39 0.00 1.01 0.00 0.00 57.45 58.13 2wdg n PHE 43 Cb 0.21 -0.24 -0.05 0.00 -0.01 0.00 0.00 39.48 39.39 2wdg n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2wdg s LEU 44 N -3.35 4.38 0.00 4.37 1.43 -1.04 -2.38 118.68 122.09 2wdg s LEU 44 Ca 0.07 1.19 -0.04 0.00 -1.03 0.00 0.00 54.13 54.32 2wdg s LEU 44 Cb 0.16 -3.01 0.06 0.00 0.03 0.00 0.00 46.19 43.43 2wdg s LEU 44 CO 0.80 0.01 0.14 -1.54 0.23 0.00 0.00 176.35 175.99 2wdg n SER 45 N 3.15 -2.12 -0.18 2.29 3.41 0.34 -4.77 113.62 115.74 2wdg n SER 45 Ca -0.04 -0.14 0.04 0.00 -0.26 0.00 0.00 58.87 58.46 2wdg n SER 45 Cb 0.51 -0.17 0.15 0.00 -0.26 0.00 0.00 64.21 64.44 2wdg n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wdg n GLU 46 N -2.24 1.23 -0.01 4.33 -0.58 -1.26 -3.14 120.64 118.96 2wdg n GLU 46 Ca 0.02 -0.35 -0.01 0.00 -0.42 0.00 0.00 57.16 56.40 2wdg n GLU 46 Cb 0.10 -1.14 -0.01 0.00 -0.57 0.00 0.00 31.44 29.82 2wdg n GLU 46 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2wdg n THR 47 N -0.27 0.10 0.00 2.62 -1.04 -1.26 -4.61 114.28 109.82 2wdg n THR 47 Ca 0.06 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wdg n THR 47 Cb 0.10 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 2wdg n THR 47 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wdg n GLY 48 N 2.91 1.13 3.02 3.41 0.00 -1.19 -1.06 105.19 113.41 2wdg n GLY 48 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 2wdg n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdg n LYS 49 N 0.00 0.00 -2.34 1.61 4.76 -1.26 -4.26 118.16 116.66 2wdg n LYS 49 Ca 0.00 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.04 2wdg n LYS 49 Cb 0.00 -1.03 -0.03 0.00 -1.84 0.00 0.00 35.03 32.13 2wdg n LYS 49 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2wdg s ILE 50 N -0.58 3.62 0.24 -0.18 -1.09 -1.26 -0.50 121.20 121.45 2wdg s ILE 50 Ca 0.64 0.42 -0.28 0.00 -2.23 0.00 0.00 60.65 59.20 2wdg s ILE 50 Cb -0.92 -4.47 -0.16 0.00 -1.58 0.00 0.00 42.46 35.33 2wdg s ILE 50 CO 0.49 -1.36 0.75 0.18 -1.23 0.00 0.00 174.94 173.77 2wdg n LEU 51 N 10.48 0.18 -4.23 2.97 4.77 -1.00 -4.95 117.00 125.23 2wdg n LEU 51 Ca 0.11 1.15 -0.28 0.00 -0.03 0.00 0.00 56.01 56.96 2wdg n LEU 51 Cb 0.50 -1.11 0.26 0.00 -2.33 0.00 0.00 43.42 40.74 2wdg n LEU 51 CO 0.71 -2.24 0.28 -0.81 -1.33 0.00 0.00 177.39 174.00 2wdg n PRO 52 N 0.87 -3.90 0.18 3.23 -0.04 -1.26 -4.79 135.00 129.29 2wdg n PRO 52 Ca 0.14 -1.15 0.14 0.00 -0.04 0.00 0.00 63.50 62.59 2wdg n PRO 52 Cb 0.28 -1.88 0.49 0.00 -0.04 0.00 0.00 33.50 32.36 2wdg n PRO 52 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2wdg h ARG 53 N -3.27 0.00 0.00 0.54 9.65 -1.98 -3.00 114.38 116.33 2wdg h ARG 53 Ca -0.42 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 2wdg h ARG 53 Cb 1.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 2wdg h ARG 53 CO 0.28 0.00 0.00 0.54 2.80 0.00 0.00 179.97 183.59 2wdg n ARG 54 N -2.61 0.00 0.30 0.20 1.74 -1.26 0.12 116.66 115.15 2wdg n ARG 54 Ca 0.03 0.39 0.16 0.00 -0.77 0.00 0.00 57.85 57.66 2wdg n ARG 54 Cb 0.33 -1.18 0.81 0.00 -1.02 0.00 0.00 32.46 31.40 2wdg n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdg h ARG 55 N 0.00 0.00 0.00 5.56 2.47 -1.93 -2.88 114.38 117.60 2wdg h ARG 55 Ca 0.00 0.00 -0.42 0.00 -1.26 0.00 0.00 59.98 58.30 2wdg h ARG 55 Cb 0.00 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.26 2wdg h ARG 55 CO 0.00 0.00 -2.43 0.25 0.56 0.00 0.00 179.97 178.35 2wdg n THR 56 N -3.04 1.40 -2.96 2.04 -2.24 -1.13 -2.02 114.28 106.33 2wdg n THR 56 Ca -0.00 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 2wdg n THR 56 Cb 0.41 -1.76 0.05 0.00 -2.10 0.00 0.00 70.33 66.93 2wdg n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdg n GLY 57 N 1.56 0.07 0.00 3.38 0.00 0.33 -1.70 105.19 108.82 2wdg n GLY 57 Ca -0.49 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2wdg n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdg n LEU 58 N -2.87 0.00 -4.92 0.99 4.32 -1.26 -4.77 117.00 108.48 2wdg n LEU 58 Ca -0.07 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.66 2wdg n LEU 58 Cb 0.56 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.41 2wdg n LEU 58 CO 0.35 -0.43 0.56 -0.55 -1.22 0.00 0.00 177.39 176.09 2wdg s SER 59 N -1.00 5.26 0.34 -1.43 0.15 -1.26 -4.82 113.70 110.94 2wdg s SER 59 Ca 0.00 0.58 0.04 0.00 0.70 0.00 0.00 55.95 57.27 2wdg s SER 59 Cb 0.00 -1.43 0.66 0.00 -1.71 0.00 0.00 66.02 63.54 2wdg s SER 59 CO 0.00 -1.28 1.94 0.00 1.20 0.00 0.00 173.24 175.09 2wdg h ALA 60 N -0.34 1.63 0.29 5.45 0.00 -2.00 -0.83 119.26 123.46 2wdg h ALA 60 Ca -0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2wdg h ALA 60 Cb 1.28 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2wdg h ALA 60 CO 0.60 0.25 -0.14 -0.22 0.00 0.00 0.00 179.25 179.74 2wdg h LYS 61 N 0.86 -0.38 -0.67 0.00 3.64 -2.01 -3.30 116.57 114.72 2wdg h LYS 61 Ca 0.35 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.89 2wdg h LYS 61 Cb 0.24 0.09 -0.12 0.00 -0.41 0.00 0.00 32.23 32.03 2wdg h LYS 61 CO -0.12 -0.23 -0.06 0.93 -2.27 0.00 0.00 179.45 177.71 2wdg h GLU 62 N -1.10 0.07 -0.70 1.90 5.08 -1.89 -1.38 114.58 116.57 2wdg h GLU 62 Ca -0.04 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.45 2wdg h GLU 62 Cb 0.32 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.43 2wdg h GLU 62 CO 0.07 0.04 -0.20 0.37 -1.00 0.00 0.00 179.01 178.29 2wdg h GLN 63 N 0.07 -0.02 0.55 2.33 5.75 -1.28 0.30 115.11 122.80 2wdg h GLN 63 Ca 0.34 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.82 2wdg h GLN 63 Cb 0.56 0.01 0.01 0.00 1.07 0.00 0.00 27.48 29.12 2wdg h GLN 63 CO -0.62 -0.02 -0.26 0.00 -2.65 0.00 0.00 178.83 175.29 2wdg h ARG 64 N -0.02 -0.71 -1.63 1.69 3.08 -1.35 -1.33 114.38 114.11 2wdg h ARG 64 Ca 0.33 0.05 0.51 0.00 0.07 0.00 0.00 59.98 60.94 2wdg h ARG 64 Cb 0.53 0.16 -0.11 0.00 0.08 0.00 0.00 29.97 30.63 2wdg h ARG 64 CO -0.73 -0.47 1.11 0.82 -1.07 0.00 0.00 179.97 179.63 2wdg h ILE 65 N -0.82 0.03 0.02 2.04 2.04 -0.77 -0.23 117.51 119.81 2wdg h ILE 65 Ca -0.08 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 2wdg h ILE 65 Cb 0.56 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2wdg h ILE 65 CO 0.12 0.00 -0.01 0.25 0.00 0.00 0.00 178.15 178.52 2wdg h LEU 66 N 0.01 -0.02 -0.99 1.44 5.85 -0.11 -3.10 115.31 118.38 2wdg h LEU 66 Ca 0.90 0.00 0.31 0.00 0.84 0.00 0.00 57.88 59.93 2wdg h LEU 66 Cb 3.20 0.01 -0.15 0.00 0.37 0.00 0.00 40.66 44.09 2wdg h LEU 66 CO -0.26 -0.00 0.54 0.00 -0.34 0.00 0.00 178.44 178.38 2wdg h ALA 67 N -1.96 1.89 -0.67 1.25 0.00 0.06 0.55 119.26 120.38 2wdg h ALA 67 Ca -0.00 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2wdg h ALA 67 Cb 0.02 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2wdg h ALA 67 CO 0.00 -0.55 0.10 0.87 0.00 0.00 0.00 179.25 179.68 2wdg h LYS 68 N 0.33 1.12 0.00 0.00 6.56 -1.27 0.01 116.57 123.32 2wdg h LYS 68 Ca 0.72 -0.31 -0.10 0.00 -1.06 0.00 0.00 60.65 59.90 2wdg h LYS 68 Cb 1.60 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 33.12 2wdg h LYS 68 CO -0.60 1.03 -0.50 1.79 -2.06 0.00 0.00 179.45 179.10 2wdg h THR 69 N 1.05 0.84 0.84 -0.16 1.35 -0.12 -2.54 112.91 114.16 2wdg h THR 69 Ca 0.20 -2.19 -0.04 0.00 -0.55 0.00 0.00 66.41 63.83 2wdg h THR 69 Cb 0.46 2.41 0.01 0.00 -1.73 0.00 0.00 68.15 69.30 2wdg h THR 69 CO 0.02 0.48 -0.40 0.40 -0.25 0.00 0.00 175.52 175.76 2wdg h ILE 70 N 0.00 0.03 -0.92 6.82 1.08 0.16 -2.74 117.51 121.94 2wdg h ILE 70 Ca -0.01 -0.16 0.21 0.00 -0.39 0.00 0.00 64.86 64.51 2wdg h ILE 70 Cb 1.38 0.04 -0.17 0.00 -3.07 0.00 0.00 36.82 35.00 2wdg h ILE 70 CO 0.06 0.00 -0.14 0.11 -0.69 0.00 0.00 178.15 177.50 2wdg h LYS 71 N -1.28 0.01 0.01 2.37 1.57 -1.01 -0.48 116.57 117.76 2wdg h LYS 71 Ca -0.12 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2wdg h LYS 71 Cb 0.87 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.13 2wdg h LYS 71 CO 0.19 0.01 -0.47 0.00 -0.57 0.00 0.00 179.45 178.61 2wdg h ARG 72 N 0.01 -0.57 -0.92 3.15 3.08 -1.27 -1.63 114.38 116.23 2wdg h ARG 72 Ca 0.48 0.04 0.16 0.00 0.07 0.00 0.00 59.98 60.73 2wdg h ARG 72 Cb 0.82 0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.93 2wdg h ARG 72 CO -0.91 -0.38 0.59 0.00 -1.07 0.00 0.00 179.97 178.20 2wdg h ALA 73 N -0.57 1.83 0.00 0.04 0.00 -0.83 0.15 119.26 119.88 2wdg h ALA 73 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wdg h ALA 73 Cb 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2wdg h ALA 73 CO -0.31 -0.10 0.04 0.00 0.00 0.00 0.00 179.25 178.88 2wdg h ARG 74 N 0.70 0.00 0.08 0.00 3.08 -0.28 0.21 114.38 118.16 2wdg h ARG 74 Ca 0.48 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 60.21 2wdg h ARG 74 Cb 0.79 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 2wdg h ARG 74 CO -0.24 0.00 -1.69 0.82 -1.07 0.00 0.00 179.97 177.79 2wdg h ILE 75 N 0.00 0.94 0.00 2.04 2.04 -0.42 -3.30 117.51 118.81 2wdg h ILE 75 Ca 0.00 -2.66 0.00 0.00 1.00 0.00 0.00 64.86 63.20 2wdg h ILE 75 Cb 0.07 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 2wdg h ILE 75 CO 0.00 0.75 0.00 0.18 0.00 0.00 0.00 178.15 179.08 2wdg n LEU 76 N -3.34 0.40 0.00 1.44 7.99 0.70 -4.80 117.00 119.39 2wdg n LEU 76 Ca -0.20 -0.20 0.00 0.00 -0.01 0.00 0.00 56.01 55.60 2wdg n LEU 76 Cb 1.04 -0.20 0.00 0.00 -0.11 0.00 0.00 43.42 44.15 2wdg n LEU 76 CO 0.47 0.10 0.00 0.61 -1.51 0.00 0.00 177.39 177.06 2wdg n GLY 77 N 0.18 0.20 0.16 -0.72 0.00 -1.10 -4.81 105.19 99.09 2wdg n GLY 77 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2wdg n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wdg h LEU 78 N 0.00 -0.31-10.10 0.99 3.38 -1.78 -3.45 115.31 104.04 2wdg h LEU 78 Ca 0.00 0.01 -0.50 0.00 0.09 0.00 0.00 57.88 57.48 2wdg h LEU 78 Cb 0.08 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2wdg h LEU 78 CO 0.00 -0.10 0.07 -0.76 0.09 0.00 0.00 178.44 177.74 2wdg s LEU 79 N -6.79 3.94 0.00 1.67 1.43 -1.22 -4.99 118.68 112.73 2wdg s LEU 79 Ca -0.05 1.12 -0.08 0.00 -1.03 0.00 0.00 54.13 54.08 2wdg s LEU 79 Cb 0.01 -3.96 0.14 0.00 0.03 0.00 0.00 46.19 42.40 2wdg s LEU 79 CO 0.16 -0.30 0.85 -0.81 0.23 0.00 0.00 176.35 176.48 2wdg n PRO 80 N -0.91 -0.62 -0.01 1.29 -0.04 -1.26 -4.29 135.00 129.16 2wdg n PRO 80 Ca 0.02 -1.53 -0.02 0.00 -0.04 0.00 0.00 63.50 61.93 2wdg n PRO 80 Cb 0.54 -0.81 -0.01 0.00 -0.04 0.00 0.00 33.50 33.18 2wdg n PRO 80 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2wdg n PHE 81 N -3.03 0.00 -3.73 0.54 3.72 -1.26 -4.81 117.46 108.89 2wdg n PHE 81 Ca 0.11 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.44 2wdg n PHE 81 Cb 0.40 -0.08 -0.02 0.00 -0.94 0.00 0.00 39.48 38.84 2wdg n PHE 81 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2wdg s THR 82 N -2.04 0.00 -0.30 4.37 2.01 -1.26 -4.54 115.64 113.88 2wdg s THR 82 Ca -0.03 -0.69 -0.15 0.00 0.31 0.00 0.00 61.69 61.13 2wdg s THR 82 Cb 0.01 -1.73 0.17 0.00 0.01 0.00 0.00 72.50 70.97 2wdg s THR 82 CO 0.05 0.00 1.13 -1.83 -0.69 0.00 0.00 174.62 173.28 2wdg s GLU 83 N -3.77 0.12 0.60 4.92 -1.05 -0.22 -4.93 118.70 114.36 2wdg s GLU 83 Ca 0.09 0.21 -0.18 0.00 -0.15 0.00 0.00 54.97 54.93 2wdg s GLU 83 Cb -0.04 0.11 -0.05 0.00 -0.44 0.00 0.00 34.13 33.71 2wdg s GLU 83 CO 0.01 -0.13 0.94 1.63 0.95 0.00 0.00 175.26 178.67 2wdg n LYS 84 N 5.48 0.88 -2.59 -4.83 4.76 -1.26 -4.38 118.16 116.22 2wdg n LYS 84 Ca -0.08 0.34 -0.22 0.00 -2.87 0.00 0.00 58.31 55.48 2wdg n LYS 84 Cb 0.54 -2.15 0.04 0.00 -1.84 0.00 0.00 35.03 31.63 2wdg n LYS 84 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2wdg s LEU 85 N -1.91 3.22 -0.08 -0.35 2.96 -1.26 -5.00 118.68 116.25 2wdg s LEU 85 Ca 0.75 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.78 2wdg s LEU 85 Cb -0.42 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.34 2wdg s LEU 85 CO 0.47 -1.19 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.42 2wdg s VAL 86 N -2.83 2.44 0.00 1.68 1.01 -1.26 -5.08 120.40 116.36 2wdg s VAL 86 Ca 0.57 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2wdg s VAL 86 Cb -0.10 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2wdg s VAL 86 CO 0.39 0.56 0.00 -2.11 0.00 0.00 0.00 175.10 173.94 2wdg n ARG 87 N 3.14 0.00 0.00 2.72 0.00 -1.26 -5.28 116.66 115.98 2wdg n ARG 87 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 2wdg n ARG 87 Cb 0.52 -0.48 0.00 0.00 -0.00 0.00 0.00 32.46 32.50 2wdg n ARG 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80