#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwa n VAL 22 N 0.00 0.00 -0.23 4.08 0.24 -1.26 -5.00 118.33 116.16 2wwa n VAL 22 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 2wwa n VAL 22 Cb 0.00 -0.46 0.03 0.00 -1.47 0.00 0.00 33.84 31.94 2wwa n VAL 22 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2wwa h GLU 23 N 0.00 1.08 -0.35 7.34 4.81 -2.06 -3.26 114.58 122.14 2wwa h GLU 23 Ca 0.00 -0.29 -0.03 0.00 -0.13 0.00 0.00 59.36 58.91 2wwa h GLU 23 Cb 0.00 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2wwa h GLU 23 CO 0.00 1.00 0.10 0.00 -0.73 0.00 0.00 179.01 179.38 2wwa h ALA 24 N 1.04 0.46 0.00 2.92 0.00 -1.99 -2.98 119.26 118.70 2wwa h ALA 24 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2wwa h ALA 24 Cb 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2wwa h ALA 24 CO 0.01 0.11 -0.84 -1.00 0.00 0.00 0.00 179.25 177.53 2wwa h PRO 25 N 0.41 0.00 -0.10 0.00 0.13 -1.97 -2.52 132.00 127.96 2wwa h PRO 25 Ca 0.11 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.07 2wwa h PRO 25 Cb 0.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 2wwa h PRO 25 CO -0.00 0.00 -0.67 -0.24 -0.23 0.00 0.00 178.00 176.86 2wwa h VAL 26 N 0.00 1.37 -0.61 1.56 3.04 -1.64 -2.63 116.25 117.34 2wwa h VAL 26 Ca 0.00 -2.04 -0.09 0.00 -1.01 0.00 0.00 66.70 63.56 2wwa h VAL 26 Cb 0.97 2.02 -0.02 0.00 -2.01 0.00 0.00 31.29 32.25 2wwa h VAL 26 CO 0.00 0.62 0.04 -0.08 -1.01 0.00 0.00 177.57 177.13 2wwa h GLU 27 N 0.29 1.03 -0.52 4.17 4.22 -1.53 -2.57 114.58 119.66 2wwa h GLU 27 Ca -0.02 -0.30 -0.07 0.00 0.08 0.00 0.00 59.36 59.05 2wwa h GLU 27 Cb 1.23 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2wwa h GLU 27 CO 0.12 0.99 0.06 0.35 -2.18 0.00 0.00 179.01 178.34 2wwa h PHE 28 N 0.95 0.89 -0.02 0.92 3.57 -1.28 -3.06 116.94 118.92 2wwa h PHE 28 Ca 0.18 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2wwa h PHE 28 Cb 0.50 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2wwa h PHE 28 CO 0.03 0.79 -0.30 1.55 -2.23 0.00 0.00 178.31 178.15 2wwa n VAL 29 N -4.23 0.00 -0.06 1.41 3.14 -1.01 -3.02 118.33 114.56 2wwa n VAL 29 Ca 0.03 -0.34 -0.14 0.00 -2.96 0.00 0.00 64.34 60.93 2wwa n VAL 29 Cb 0.28 1.31 -0.06 0.00 -1.06 0.00 0.00 33.84 34.30 2wwa n VAL 29 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2wwa h ARG 30 N 3.18 0.62 0.00 1.45 9.65 -1.35 -2.88 114.38 125.06 2wwa h ARG 30 Ca 0.00 -0.40 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 2wwa h ARG 30 Cb 0.83 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.46 2wwa h ARG 30 CO 0.00 1.01 -0.66 0.39 2.80 0.00 0.00 179.97 183.51 2wwa n GLU 31 N -4.25 0.10 0.00 0.20 -0.58 -1.24 -3.59 120.64 111.28 2wwa n GLU 31 Ca -0.06 0.01 0.15 0.00 -0.42 0.00 0.00 57.16 56.84 2wwa n GLU 31 Cb 0.53 -1.55 0.72 0.00 -0.57 0.00 0.00 31.44 30.57 2wwa n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wwa n GLY 32 N 1.45 -0.96 0.00 0.62 0.00 -1.17 -2.90 105.19 102.23 2wwa n GLY 32 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2wwa n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wwa n THR 33 N -0.95 0.00 0.11 2.61 -2.24 -1.09 -4.18 114.28 108.53 2wwa n THR 33 Ca 0.17 -0.50 0.10 0.00 -2.27 0.00 0.00 64.05 61.55 2wwa n THR 33 Cb 0.24 1.00 0.01 0.00 -2.10 0.00 0.00 70.33 69.48 2wwa n THR 33 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2wwa h GLN 34 N 0.00 0.00 -0.69 -0.78 4.20 -1.62 -3.20 115.11 113.02 2wwa h GLN 34 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2wwa h GLN 34 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2wwa h GLN 34 CO 0.00 0.03 0.26 0.35 -0.67 0.00 0.00 178.83 178.81 2wwa h PHE 35 N 0.00 1.06 -0.02 2.96 3.57 -1.71 -3.21 116.94 119.58 2wwa h PHE 35 Ca -0.02 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2wwa h PHE 35 Cb 1.06 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.48 2wwa h PHE 35 CO 0.00 0.83 -0.35 -0.11 -2.23 0.00 0.00 178.31 176.45 2wwa n LEU 36 N -4.37 2.06 -0.13 0.59 7.94 -1.25 -4.20 117.00 117.64 2wwa n LEU 36 Ca 0.05 -0.73 0.05 0.00 -1.11 0.00 0.00 56.01 54.27 2wwa n LEU 36 Cb 0.18 -0.02 0.09 0.00 0.53 0.00 0.00 43.42 44.20 2wwa n LEU 36 CO 0.40 0.37 0.55 0.00 -1.11 0.00 0.00 177.39 177.60 2wwa n ALA 37 N 0.15 2.19 -2.97 1.96 0.00 -1.21 -4.86 120.51 115.77 2wwa n ALA 37 Ca 0.11 -1.77 -0.44 0.00 0.00 0.00 0.00 53.44 51.34 2wwa n ALA 37 Cb 0.47 -0.23 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 2wwa n ALA 37 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wwa s LYS 38 N -1.90 3.21 -0.07 0.00 -0.14 -1.22 -4.96 119.74 114.67 2wwa s LYS 38 Ca 0.18 -1.24 -0.11 0.00 -1.36 0.00 0.00 55.97 53.44 2wwa s LYS 38 Cb 0.15 -4.40 0.02 0.00 -1.68 0.00 0.00 37.83 31.92 2wwa s LYS 38 CO 0.03 -1.71 0.27 0.00 -0.76 0.00 0.00 175.35 173.18 2wwa n LYS 40 N 2.32 -4.64 -2.06 0.00 4.81 -1.26 -5.15 118.16 112.18 2wwa n LYS 40 Ca -0.16 0.77 -0.39 0.00 -0.87 0.00 0.00 58.31 57.66 2wwa n LYS 40 Cb 0.57 -5.48 -0.00 0.00 0.02 0.00 0.00 35.03 30.14 2wwa n LYS 40 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2wwa s LYS 41 N -4.90 3.86 0.17 1.64 1.02 -1.26 -4.89 119.74 115.38 2wwa s LYS 41 Ca 0.14 2.10 -0.32 0.00 0.02 0.00 0.00 55.97 57.91 2wwa s LYS 41 Cb -0.02 -2.65 -0.11 0.00 -0.52 0.00 0.00 37.83 34.53 2wwa s LYS 41 CO 0.66 -0.56 1.66 -1.25 -0.92 0.00 0.00 175.35 174.94 2wwa s PRO 42 N -2.37 4.17 0.87 -1.68 0.04 -1.26 -5.00 135.00 129.77 2wwa s PRO 42 Ca 0.59 2.48 -0.11 0.00 0.04 0.00 0.00 61.00 64.00 2wwa s PRO 42 Cb -0.37 -3.20 0.16 0.00 0.04 0.00 0.00 34.50 31.14 2wwa s PRO 42 CO 0.46 -0.70 1.21 0.16 0.04 0.00 0.00 177.00 178.17 2wwa s ASP 43 N 1.41 3.64 0.00 6.66 -4.77 -1.26 -4.91 116.67 117.45 2wwa s ASP 43 Ca 0.73 0.15 0.28 0.00 -3.30 0.00 0.00 52.55 50.41 2wwa s ASP 43 Cb -0.46 -0.35 1.12 0.00 -1.09 0.00 0.00 42.92 42.14 2wwa s ASP 43 CO 0.32 -2.37 1.80 0.18 0.70 0.00 0.00 175.17 175.80 2wwa n LEU 44 N -3.44 0.49 -0.04 2.11 4.77 -1.26 -1.90 117.00 117.73 2wwa n LEU 44 Ca 0.14 0.02 0.02 0.00 -0.03 0.00 0.00 56.01 56.16 2wwa n LEU 44 Cb 0.60 -0.21 -0.15 0.00 -2.33 0.00 0.00 43.42 41.33 2wwa n LEU 44 CO 0.46 0.09 -0.88 0.29 -1.33 0.00 0.00 177.39 176.02 2wwa n LYS 45 N -1.01 0.78 0.06 3.23 4.76 -1.26 -3.07 118.16 121.65 2wwa n LYS 45 Ca 0.13 -0.11 -0.08 0.00 -2.87 0.00 0.00 58.31 55.38 2wwa n LYS 45 Cb 0.29 -1.46 0.06 0.00 -1.84 0.00 0.00 35.03 32.08 2wwa n LYS 45 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2wwa h GLU 46 N 0.00 0.35 -0.78 1.97 5.08 -1.92 -3.10 114.58 116.18 2wwa h GLU 46 Ca -0.21 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 2wwa h GLU 46 Cb 1.41 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.68 2wwa h GLU 46 CO 0.01 0.91 0.32 -0.92 -1.00 0.00 0.00 179.01 178.33 2wwa h TYR 47 N 0.24 1.17 -0.74 4.33 3.20 -1.49 -2.07 116.97 121.61 2wwa h TYR 47 Ca -0.02 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.71 2wwa h TYR 47 Cb 1.24 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 2wwa h TYR 47 CO 0.04 0.89 0.23 1.15 -1.64 0.00 0.00 178.16 178.83 2wwa h THR 48 N 1.12 1.26 -0.36 1.81 2.02 -1.56 -1.79 112.91 115.41 2wwa h THR 48 Ca 0.26 -0.90 -0.09 0.00 0.77 0.00 0.00 66.41 66.45 2wwa h THR 48 Cb 0.20 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2wwa h THR 48 CO -0.02 0.36 -0.13 0.11 0.37 0.00 0.00 175.52 176.20 2wwa h LYS 49 N 1.10 0.65 -0.42 6.66 1.57 -1.41 -2.05 116.57 122.66 2wwa h LYS 49 Ca 0.24 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 2wwa h LYS 49 Cb 0.30 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2wwa h LYS 49 CO -0.01 0.76 -0.01 0.82 -0.57 0.00 0.00 179.45 180.44 2wwa h ILE 50 N 0.59 1.26 -0.58 1.86 2.04 -1.12 -2.86 117.51 118.70 2wwa h ILE 50 Ca 0.10 -1.05 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 2wwa h ILE 50 Cb 0.57 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 2wwa h ILE 50 CO 0.04 0.36 0.13 0.58 0.00 0.00 0.00 178.15 179.25 2wwa h VAL 51 N 0.59 1.24 0.00 1.67 2.07 -1.08 -1.95 116.25 118.79 2wwa h VAL 51 Ca 0.12 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2wwa h VAL 51 Cb 0.51 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2wwa h VAL 51 CO 0.02 0.33 -0.38 2.29 0.02 0.00 0.00 177.57 179.85 2wwa n LYS 52 N -4.26 0.00 0.00 1.57 2.85 -0.79 -1.30 118.16 116.23 2wwa n LYS 52 Ca 0.04 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.40 2wwa n LYS 52 Cb 0.24 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.14 2wwa n LYS 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wwa n ALA 53 N -1.50 3.10 -0.41 0.58 0.00 -1.06 -2.19 120.51 119.03 2wwa n ALA 53 Ca 0.06 -0.60 0.03 0.00 0.00 0.00 0.00 53.44 52.92 2wwa n ALA 53 Cb 0.34 -0.66 0.04 0.00 0.00 0.00 0.00 19.45 19.16 2wwa n ALA 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wwa n VAL 54 N 0.25 1.17 -0.10 0.00 0.31 -0.76 -2.78 118.33 116.42 2wwa n VAL 54 Ca 0.09 -1.27 -0.16 0.00 -0.01 0.00 0.00 64.34 62.99 2wwa n VAL 54 Cb 0.42 0.32 -0.09 0.00 -0.91 0.00 0.00 33.84 33.58 2wwa n VAL 54 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wwa n GLY 55 N -0.72 -0.29 0.20 2.92 0.00 -0.42 -3.40 105.19 103.47 2wwa n GLY 55 Ca 0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 2wwa n GLY 55 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wwa h ILE 56 N -0.13 1.34 -0.16 -0.61 2.04 -1.65 -2.85 117.51 115.48 2wwa h ILE 56 Ca -0.47 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 63.66 2wwa h ILE 56 Cb 1.66 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.52 2wwa h ILE 56 CO -0.12 0.52 0.00 0.61 0.00 0.00 0.00 178.15 179.17 2wwa n GLY 57 N 0.07 -0.08 0.00 5.37 0.00 -1.12 -1.86 105.19 107.58 2wwa n GLY 57 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2wwa n GLY 57 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wwa n PHE 58 N 0.02 0.00 0.23 1.61 7.35 -1.14 -4.32 117.46 121.20 2wwa n PHE 58 Ca 0.12 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.85 2wwa n PHE 58 Cb 0.22 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.00 2wwa n PHE 58 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 2wwa n ILE 59 N -0.43 0.00 -0.05 -2.13 3.06 -1.09 -2.06 119.36 116.66 2wwa n ILE 59 Ca 0.00 -0.27 -0.16 0.00 -2.50 0.00 0.00 62.75 59.82 2wwa n ILE 59 Cb 0.01 0.75 -0.06 0.00 0.54 0.00 0.00 39.64 40.88 2wwa n ILE 59 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2wwa h ALA 60 N 0.95 0.35 -0.78 1.51 0.00 -1.63 -3.01 119.26 116.64 2wwa h ALA 60 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 2wwa h ALA 60 Cb 0.25 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2wwa h ALA 60 CO 0.00 0.59 0.32 0.28 0.00 0.00 0.00 179.25 180.44 2wwa h VAL 61 N 0.48 1.26 0.00 0.00 2.07 -1.75 -3.30 116.25 115.01 2wwa h VAL 61 Ca -0.02 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2wwa h VAL 61 Cb 1.21 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2wwa h VAL 61 CO 0.13 0.32 0.00 0.61 0.02 0.00 0.00 177.57 178.65 2wwa n GLY 62 N -0.90 -1.18 0.00 2.17 0.00 -0.87 -3.01 105.19 101.40 2wwa n GLY 62 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2wwa n GLY 62 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2wwa n ILE 63 N -1.25 0.00 -0.08 -0.61 3.06 -1.21 -4.50 119.36 114.78 2wwa n ILE 63 Ca 0.14 -0.14 -0.17 0.00 -2.50 0.00 0.00 62.75 60.08 2wwa n ILE 63 Cb 0.21 0.64 -0.13 0.00 0.54 0.00 0.00 39.64 40.90 2wwa n ILE 63 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 2wwa h ILE 64 N 0.00 1.47 0.00 9.51 2.04 -1.61 -2.97 117.51 125.95 2wwa h ILE 64 Ca 0.00 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.57 2wwa h ILE 64 Cb 0.00 2.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2wwa h ILE 64 CO 0.00 0.51 -0.16 0.61 0.00 0.00 0.00 178.15 179.11 2wwa n GLY 65 N 1.55 -1.57 0.17 5.37 0.00 -1.19 -3.15 105.19 106.36 2wwa n GLY 65 Ca -0.18 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 2wwa n GLY 65 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wwa h TYR 66 N 0.00 0.83 -0.70 1.61 3.20 -1.79 -3.07 116.97 117.05 2wwa h TYR 66 Ca 0.00 -0.46 -0.05 0.00 3.14 0.00 0.00 58.73 61.37 2wwa h TYR 66 Cb 0.66 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 2wwa h TYR 66 CO 0.00 1.29 0.26 0.00 -1.64 0.00 0.00 178.16 178.07 2wwa h ALA 67 N 0.35 0.91 -0.28 1.82 0.00 -1.47 -2.64 119.26 117.95 2wwa h ALA 67 Ca -0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2wwa h ALA 67 Cb 1.53 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2wwa h ALA 67 CO 0.17 0.55 0.07 0.82 0.00 0.00 0.00 179.25 180.86 2wwa h ILE 68 N 1.00 1.21 -0.11 0.00 2.04 -1.65 -3.28 117.51 116.73 2wwa h ILE 68 Ca 0.23 -0.69 -0.18 0.00 1.00 0.00 0.00 64.86 65.21 2wwa h ILE 68 Cb 0.24 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2wwa h ILE 68 CO -0.02 0.23 -0.70 0.50 0.00 0.00 0.00 178.15 178.16 2wwa h LYS 69 N 0.28 0.48 -0.45 2.37 3.64 -1.43 -2.50 116.57 118.96 2wwa h LYS 69 Ca 0.09 -0.37 -0.06 0.00 -1.27 0.00 0.00 60.65 59.04 2wwa h LYS 69 Cb 0.28 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2wwa h LYS 69 CO 0.00 1.00 0.05 -0.07 -2.27 0.00 0.00 179.45 178.16 2wwa h LEU 70 N 0.33 0.66 -0.32 5.20 3.38 -1.54 -2.84 115.31 120.18 2wwa h LEU 70 Ca -0.03 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2wwa h LEU 70 Cb 1.28 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2wwa h LEU 70 CO 0.13 0.70 -0.72 0.00 0.09 0.00 0.00 178.44 178.63 2wwa n ILE 71 N -4.26 0.00 -0.11 1.22 3.06 -1.22 -4.12 119.36 113.92 2wwa n ILE 71 Ca 0.03 -0.08 -0.14 0.00 -2.50 0.00 0.00 62.75 60.06 2wwa n ILE 71 Cb 0.25 0.92 -0.03 0.00 0.54 0.00 0.00 39.64 41.32 2wwa n ILE 71 CO 0.00 0.00 0.00 -0.74 -2.50 0.00 0.00 176.55 173.31 2wwa h HIS 72 N 0.79 1.11 -0.51 9.51 2.76 -1.19 -3.27 115.15 124.35 2wwa h HIS 72 Ca 0.00 -0.35 -0.04 0.00 -2.20 0.00 0.00 60.37 57.77 2wwa h HIS 72 Cb 0.57 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 2wwa h HIS 72 CO 0.00 1.18 0.15 0.82 -1.30 0.00 0.00 177.93 178.78 2wwa h ILE 73 N 0.73 1.23 0.00 6.26 2.04 -1.71 -2.46 117.51 123.60 2wwa h ILE 73 Ca 0.05 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2wwa h ILE 73 Cb 1.03 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2wwa h ILE 73 CO 0.10 0.29 0.20 -0.65 0.00 0.00 0.00 178.15 178.09 2wwa h PRO 74 N 0.70 0.00 -0.56 2.37 0.11 -1.76 -2.44 132.00 130.42 2wwa h PRO 74 Ca 0.16 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.19 2wwa h PRO 74 Cb 0.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 2wwa h PRO 74 CO -0.00 0.00 0.02 0.82 -0.21 0.00 0.00 178.00 178.62 2wwa h ILE 75 N 0.00 1.26 0.00 4.15 2.04 -1.49 -2.20 117.51 121.28 2wwa h ILE 75 Ca 0.00 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.76 2wwa h ILE 75 Cb 0.39 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2wwa h ILE 75 CO 0.00 0.39 -0.27 -1.14 0.00 0.00 0.00 178.15 177.13 2wwa n ARG 76 N -4.26 0.28 -0.03 2.37 3.00 -0.93 -1.71 116.66 115.37 2wwa n ARG 76 Ca 0.02 0.16 -0.15 0.00 -0.00 0.00 0.00 57.85 57.88 2wwa n ARG 76 Cb 0.32 -1.75 -0.12 0.00 0.00 0.00 0.00 32.46 30.91 2wwa n ARG 76 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 2wwa h TYR 77 N 0.00 0.17 -0.21 -0.14 3.20 -1.40 -3.37 116.97 115.22 2wwa h TYR 77 Ca 0.00 -0.10 -0.14 0.00 3.14 0.00 0.00 58.73 61.63 2wwa h TYR 77 Cb 0.74 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.99 2wwa h TYR 77 CO 0.00 0.90 -0.43 0.28 -1.64 0.00 0.00 178.16 177.27 2wwa h VAL 78 N -0.60 1.32 -3.34 1.81 2.07 -1.40 -3.40 116.25 112.71 2wwa h VAL 78 Ca -0.02 -1.65 -0.67 0.00 0.82 0.00 0.00 66.70 65.18 2wwa h VAL 78 Cb 0.95 1.83 -0.31 0.00 -1.52 0.00 0.00 31.29 32.24 2wwa h VAL 78 CO 0.03 0.52 -0.77 -0.63 0.02 0.00 0.00 177.57 176.74 2wwa s ILE 79 N -4.06 2.86 -2.00 4.57 1.01 -0.69 -5.11 121.20 117.78 2wwa s ILE 79 Ca -0.12 -0.78 0.19 0.00 0.00 0.00 0.00 60.65 59.95 2wwa s ILE 79 Cb 0.08 -2.33 0.55 0.00 0.01 0.00 0.00 42.46 40.77 2wwa s ILE 79 CO 0.84 0.39 1.55 0.55 0.00 0.00 0.00 174.94 178.26