#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c04 n THR 7 N 0.00 0.00 -1.67 -0.18 -1.04 -1.26 -5.06 114.28 105.07 1c04 n THR 7 Ca 0.00 -1.98 -0.49 0.00 -2.04 0.00 0.00 64.05 59.54 1c04 n THR 7 Cb 0.00 0.57 -0.05 0.00 -1.82 0.00 0.00 70.33 69.03 1c04 n THR 7 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1c04 n PRO 8 N -0.89 1.92 -1.13 -2.82 -0.02 -1.26 -4.88 135.00 125.92 1c04 n PRO 8 Ca -0.10 0.70 -0.36 0.00 -2.02 0.00 0.00 63.50 61.71 1c04 n PRO 8 Cb 0.52 -2.47 0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1c04 n PRO 8 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1c04 n PRO 9 N 4.71 0.10 -0.18 0.52 -0.02 -1.26 -4.56 135.00 134.31 1c04 n PRO 9 Ca 0.20 0.06 -0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1c04 n PRO 9 Cb 0.26 -1.54 0.09 0.00 -0.02 0.00 0.00 33.50 32.29 1c04 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1c04 h ALA 10 N -0.62 0.64 -0.05 3.55 0.00 -1.99 -0.24 119.26 120.55 1c04 h ALA 10 Ca -0.44 0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1c04 h ALA 10 Cb 1.34 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1c04 h ALA 10 CO 0.37 -0.32 -0.16 0.00 0.00 0.00 0.00 179.25 179.15 1c04 h ALA 11 N 1.45 -0.55 -0.97 0.00 0.00 -1.92 0.38 119.26 117.66 1c04 h ALA 11 Ca 0.29 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1c04 h ALA 11 Cb 0.42 0.72 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1c04 h ALA 11 CO -0.39 -0.61 0.62 -0.24 0.00 0.00 0.00 179.25 178.63 1c04 h VAL 12 N -0.16 1.08 -0.26 0.00 3.04 -1.79 0.11 116.25 118.28 1c04 h VAL 12 Ca 0.01 -0.39 0.05 0.00 -1.01 0.00 0.00 66.70 65.36 1c04 h VAL 12 Cb 0.19 -0.15 -0.05 0.00 -2.01 0.00 0.00 31.29 29.28 1c04 h VAL 12 CO -0.13 0.21 -0.06 -0.07 -1.01 0.00 0.00 177.57 176.51 1c04 h LEU 13 N 1.13 -0.23 -1.33 3.16 3.38 -0.42 0.40 115.31 121.41 1c04 h LEU 13 Ca 0.42 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.42 1c04 h LEU 13 Cb 0.15 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1c04 h LEU 13 CO -0.17 -0.08 0.00 -0.07 0.09 0.00 0.00 178.44 178.21 1c04 h LEU 14 N 0.01 0.42 0.37 1.67 3.38 0.87 0.24 115.31 122.26 1c04 h LEU 14 Ca 0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1c04 h LEU 14 Cb 0.18 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1c04 h LEU 14 CO -0.26 0.48 -0.18 0.11 0.09 0.00 0.00 178.44 178.69 1c04 h LYS 15 N 0.44 -0.48 -0.62 1.13 1.57 0.67 0.68 116.57 119.96 1c04 h LYS 15 Ca 0.10 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1c04 h LYS 15 Cb 0.29 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1c04 h LYS 15 CO 0.01 -0.22 0.30 -0.22 -0.57 0.00 0.00 179.45 178.75 1c04 h LYS 16 N -0.68 0.88 0.13 3.15 3.64 -0.73 0.28 116.57 123.24 1c04 h LYS 16 Ca -0.05 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1c04 h LYS 16 Cb 0.48 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1c04 h LYS 16 CO 0.08 0.68 -0.06 0.00 -2.27 0.00 0.00 179.45 177.88 1c04 h ALA 17 N 1.46 -0.68 -1.04 5.00 0.00 -0.35 -3.27 119.26 120.37 1c04 h ALA 17 Ca 0.22 -0.04 0.37 0.00 0.00 0.00 0.00 54.91 55.46 1c04 h ALA 17 Cb 0.09 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 17.78 1c04 h ALA 17 CO -0.03 -0.67 0.59 0.00 0.00 0.00 0.00 179.25 179.15 1c04 h ALA 18 N -1.85 2.13 -0.32 0.00 0.00 0.54 -3.45 119.26 116.31 1c04 h ALA 18 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1c04 h ALA 18 Cb 0.13 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1c04 h ALA 18 CO 0.03 -0.80 0.00 0.41 0.00 0.00 0.00 179.25 178.89 1c04 n GLY 19 N -1.31 0.62 3.43 0.00 0.00 0.88 -4.83 105.19 103.98 1c04 n GLY 19 Ca 0.35 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 1c04 n GLY 19 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1c04 s ILE 20 N -1.58 0.00 -0.79 -0.61 -4.36 -0.59 -5.04 121.20 108.23 1c04 s ILE 20 Ca 0.00 -1.68 0.07 0.00 -0.26 0.00 0.00 60.65 58.77 1c04 s ILE 20 Cb 0.00 -2.46 0.05 0.00 1.25 0.00 0.00 42.46 41.29 1c04 s ILE 20 CO 0.00 0.00 0.69 -0.62 0.24 0.00 0.00 174.94 175.25 1c04 n GLU 21 N -0.44 0.13 -3.93 0.37 -0.58 -1.26 -4.36 120.64 110.58 1c04 n GLU 21 Ca 0.01 -0.85 -0.09 0.00 -0.42 0.00 0.00 57.16 55.81 1c04 n GLU 21 Cb 0.63 -1.11 -0.06 0.00 -0.57 0.00 0.00 31.44 30.33 1c04 n GLU 21 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1c04 s SER 22 N -0.59 -0.08 0.00 1.62 0.01 -1.26 -5.15 113.70 108.25 1c04 s SER 22 Ca 0.07 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1c04 s SER 22 Cb 0.05 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1c04 s SER 22 CO 0.09 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.32 1c04 n GLY 23 N -0.31 1.58 0.00 3.44 0.00 -1.26 -4.99 105.19 103.65 1c04 n GLY 23 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1c04 n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1c04 n SER 24 N 0.00 0.00 -1.62 1.61 2.88 -1.24 -4.60 113.62 110.65 1c04 n SER 24 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1c04 n SER 24 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1c04 n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1c04 n GLY 25 N 0.00 1.13 0.00 0.46 0.00 -1.26 -5.08 105.19 100.44 1c04 n GLY 25 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1c04 n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1c04 n GLU 26 N 0.37 0.00 -0.25 1.61 4.71 -1.26 -2.07 120.64 123.75 1c04 n GLU 26 Ca 0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.17 1c04 n GLU 26 Cb 1.11 0.00 0.10 0.00 -1.01 0.00 0.00 31.44 31.64 1c04 n GLU 26 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1c04 h PRO 27 N 0.00 1.11 0.01 3.49 0.13 -1.95 -3.36 132.00 131.43 1c04 h PRO 27 Ca 0.00 -0.20 -0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1c04 h PRO 27 Cb 0.00 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 30.95 1c04 h PRO 27 CO 0.00 0.90 -0.01 -0.91 -0.23 0.00 0.00 178.00 177.76 1c04 h ASN 28 N 1.08 -0.01 -3.91 1.44 2.35 -1.88 -3.42 115.58 111.23 1c04 h ASN 28 Ca 0.25 0.00 -0.76 0.00 -0.55 0.00 0.00 56.30 55.24 1c04 h ASN 28 Cb 0.21 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 38.30 1c04 h ASN 28 CO -0.02 0.23 -0.03 -0.13 -1.65 0.00 0.00 177.43 175.84 1c04 s ARG 29 N -1.34 3.32 0.26 0.81 1.81 -1.25 -5.05 118.95 117.52 1c04 s ARG 29 Ca -0.00 -2.54 -0.30 0.00 -1.72 0.00 0.00 55.73 51.17 1c04 s ARG 29 Cb 0.00 -4.22 -0.10 0.00 -0.45 0.00 0.00 34.95 30.17 1c04 s ARG 29 CO 0.01 -1.25 1.50 -0.80 -0.68 0.00 0.00 175.30 174.07 1c04 s ASN 30 N 1.63 6.56 0.14 0.23 0.01 -1.26 -4.30 114.94 117.96 1c04 s ASN 30 Ca 0.18 2.75 0.26 0.00 -0.71 0.00 0.00 52.86 55.35 1c04 s ASN 30 Cb -0.13 -2.62 0.84 0.00 0.41 0.00 0.00 41.25 39.74 1c04 s ASN 30 CO -0.07 -0.78 1.74 1.17 -1.51 0.00 0.00 177.10 177.65 1c04 n LYS 31 N 2.42 0.20 0.00 -0.60 3.00 -0.37 -4.97 118.16 117.83 1c04 n LYS 31 Ca 0.08 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 1c04 n LYS 31 Cb 0.39 -1.71 0.00 0.00 0.00 0.00 0.00 35.03 33.71 1c04 n LYS 31 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1c04 n VAL 32 N -2.04 0.00 -4.02 3.15 3.14 -1.26 -5.03 118.33 112.27 1c04 n VAL 32 Ca 0.06 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.21 1c04 n VAL 32 Cb 0.41 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.13 1c04 n VAL 32 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1c04 s ALA 33 N -2.00 3.60 -0.02 1.55 0.00 -1.26 -4.34 121.76 119.29 1c04 s ALA 33 Ca 0.00 -1.78 -0.28 0.00 0.00 0.00 0.00 51.96 49.89 1c04 s ALA 33 Cb 0.00 -0.85 0.10 0.00 0.00 0.00 0.00 23.12 22.37 1c04 s ALA 33 CO 0.00 0.02 0.82 -0.08 0.00 0.00 0.00 175.76 176.52 1c04 s THR 34 N -2.39 0.00 -0.11 0.00 -1.32 -1.26 -4.89 115.64 105.67 1c04 s THR 34 Ca 0.39 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.57 1c04 s THR 34 Cb -0.03 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.94 1c04 s THR 34 CO 0.24 0.00 1.12 0.27 -2.21 0.00 0.00 174.62 174.03 1c04 s ILE 35 N -2.44 4.51 0.00 5.08 -4.36 -1.26 -4.98 121.20 117.75 1c04 s ILE 35 Ca -0.00 1.81 0.00 0.00 -0.26 0.00 0.00 60.65 62.20 1c04 s ILE 35 Cb -0.01 -4.16 0.00 0.00 1.25 0.00 0.00 42.46 39.54 1c04 s ILE 35 CO -0.04 -0.04 0.25 2.29 0.24 0.00 0.00 174.94 177.64 1c04 n LYS 36 N 5.45 0.00 0.09 0.37 2.85 -1.26 0.70 118.16 126.37 1c04 n LYS 36 Ca 0.11 0.06 0.02 0.00 -1.05 0.00 0.00 58.31 57.45 1c04 n LYS 36 Cb 0.47 -0.78 0.13 0.00 -0.65 0.00 0.00 35.03 34.20 1c04 n LYS 36 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1c04 n ARG 37 N -0.68 0.04 -0.02 -1.58 1.74 -1.26 0.76 116.66 115.65 1c04 n ARG 37 Ca 0.00 0.39 -0.03 0.00 -0.77 0.00 0.00 57.85 57.44 1c04 n ARG 37 Cb 0.00 -2.01 -0.01 0.00 -1.02 0.00 0.00 32.46 29.42 1c04 n ARG 37 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1c04 n ASP 38 N -1.62 0.61 -0.04 0.55 9.92 -1.24 -4.62 116.55 120.11 1c04 n ASP 38 Ca -0.00 0.10 -0.11 0.00 -0.53 0.00 0.00 54.79 54.25 1c04 n ASP 38 Cb 0.41 -0.52 -0.10 0.00 -0.64 0.00 0.00 41.12 40.27 1c04 n ASP 38 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1c04 h LYS 39 N -0.29 -0.04 -0.91 -1.24 1.79 0.26 -2.65 116.57 113.50 1c04 h LYS 39 Ca 0.00 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.57 1c04 h LYS 39 Cb 0.29 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.88 1c04 h LYS 39 CO 0.00 0.65 0.58 0.28 -1.08 0.00 0.00 179.45 179.89 1c04 h VAL 40 N -0.91 0.98 -0.16 0.50 2.07 0.53 -0.69 116.25 118.57 1c04 h VAL 40 Ca -0.00 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1c04 h VAL 40 Cb 0.71 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1c04 h VAL 40 CO 0.01 0.17 0.08 -0.09 0.02 0.00 0.00 177.57 177.75 1c04 h ARG 41 N 0.92 0.22 -0.37 1.57 2.43 -1.50 -0.96 114.38 116.70 1c04 h ARG 41 Ca 0.42 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.63 1c04 h ARG 41 Cb 0.39 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.82 1c04 h ARG 41 CO -0.18 0.27 -0.16 0.93 -1.51 0.00 0.00 179.97 179.31 1c04 h GLU 42 N 0.13 -0.09 -0.80 0.20 5.08 -0.78 0.78 114.58 119.10 1c04 h GLU 42 Ca 0.05 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1c04 h GLU 42 Cb 0.11 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1c04 h GLU 42 CO -0.01 -0.06 0.53 0.82 -1.00 0.00 0.00 179.01 179.29 1c04 h ILE 43 N -0.09 1.19 -0.69 3.13 2.04 -1.09 -0.01 117.51 121.98 1c04 h ILE 43 Ca 0.18 -0.37 0.07 0.00 1.00 0.00 0.00 64.86 65.75 1c04 h ILE 43 Cb 0.37 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 1c04 h ILE 43 CO -0.43 0.19 0.45 0.00 0.00 0.00 0.00 178.15 178.37 1c04 h ALA 44 N 1.30 1.76 0.33 1.87 0.00 0.37 0.14 119.26 125.03 1c04 h ALA 44 Ca 0.30 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1c04 h ALA 44 Cb -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1c04 h ALA 44 CO -0.08 0.12 -0.16 0.93 0.00 0.00 0.00 179.25 180.07 1c04 h GLU 45 N 0.68 -0.42 -0.76 0.00 5.08 0.96 -2.35 114.58 117.76 1c04 h GLU 45 Ca 0.30 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 1c04 h GLU 45 Cb 0.31 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1c04 h GLU 45 CO -0.10 -0.10 0.43 1.25 -1.00 0.00 0.00 179.01 179.50 1c04 h LEU 46 N -0.82 0.92 -0.05 1.33 5.85 -0.75 -2.23 115.31 119.56 1c04 h LEU 46 Ca -0.04 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1c04 h LEU 46 Cb 0.52 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1c04 h LEU 46 CO 0.07 0.73 0.00 1.17 -0.34 0.00 0.00 178.44 180.07 1c04 n LYS 47 N -4.37 0.09 -0.30 1.25 3.00 0.43 -4.29 118.16 113.98 1c04 n LYS 47 Ca 0.08 0.13 0.13 0.00 -0.00 0.00 0.00 58.31 58.64 1c04 n LYS 47 Cb 0.08 -1.62 0.28 0.00 0.00 0.00 0.00 35.03 33.78 1c04 n LYS 47 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1c04 h MET 48 N 0.00 0.22 -0.12 1.64 4.05 -0.83 0.37 114.93 120.26 1c04 h MET 48 Ca 0.00 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.44 1c04 h MET 48 Cb 0.53 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.28 1c04 h MET 48 CO 0.00 0.14 0.20 -1.35 0.23 0.00 0.00 176.91 176.13 1c04 h PRO 49 N 0.22 0.00 -0.01 0.39 0.11 -1.81 0.20 132.00 131.10 1c04 h PRO 49 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 1c04 h PRO 49 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1c04 h PRO 49 CO -0.64 0.00 -0.36 -0.25 -0.21 0.00 0.00 178.00 176.54 1c04 n ASP 50 N -3.47 1.92 -4.79 -2.05 9.92 0.09 -4.94 116.55 113.22 1c04 n ASP 50 Ca 0.00 -1.46 -0.37 0.00 -0.53 0.00 0.00 54.79 52.43 1c04 n ASP 50 Cb 0.30 0.43 -0.06 0.00 -0.64 0.00 0.00 41.12 41.14 1c04 n ASP 50 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1c04 s LEU 51 N -2.20 4.34 -0.08 0.64 1.43 0.06 -4.94 118.68 117.93 1c04 s LEU 51 Ca 0.17 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 53.93 1c04 s LEU 51 Cb 0.16 -2.38 0.16 0.00 0.03 0.00 0.00 46.19 44.15 1c04 s LEU 51 CO 0.46 0.23 1.02 -0.46 0.23 0.00 0.00 176.35 177.84 1c04 n ASN 52 N 2.72 2.70 -4.83 2.29 6.94 -1.26 -4.91 115.26 118.92 1c04 n ASN 52 Ca -0.14 -2.29 -0.31 0.00 -0.02 0.00 0.00 54.58 51.82 1c04 n ASN 52 Cb 0.53 -0.56 0.04 0.00 -2.36 0.00 0.00 39.78 37.43 1c04 n ASN 52 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1c04 s ALA 53 N -0.98 2.76 0.00 -2.53 0.00 -1.26 -5.04 121.76 114.71 1c04 s ALA 53 Ca 0.12 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1c04 s ALA 53 Cb 0.10 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1c04 s ALA 53 CO 0.03 -1.11 0.00 0.00 0.00 0.00 0.00 175.76 174.68 1c04 n ALA 54 N -3.01 0.00 -2.02 0.00 0.00 -1.26 -4.99 120.51 109.23 1c04 n ALA 54 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 1c04 n ALA 54 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.98 1c04 n ALA 54 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1c04 s SER 55 N -1.00 6.33 0.27 0.00 1.04 -1.26 -4.89 113.70 114.18 1c04 s SER 55 Ca 0.00 1.27 -0.02 0.00 0.48 0.00 0.00 55.95 57.67 1c04 s SER 55 Cb 0.00 -2.39 0.42 0.00 0.10 0.00 0.00 66.02 64.15 1c04 s SER 55 CO 0.00 -0.69 1.87 0.40 0.98 0.00 0.00 173.24 175.80 1c04 h ILE 56 N 0.19 1.05 -0.77 -1.02 2.04 -1.98 0.15 117.51 117.16 1c04 h ILE 56 Ca -0.46 -0.38 0.20 0.00 1.00 0.00 0.00 64.86 65.22 1c04 h ILE 56 Cb 1.19 -0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1c04 h ILE 56 CO 0.62 0.20 0.54 1.05 0.00 0.00 0.00 178.15 180.56 1c04 h GLU 57 N 1.11 0.17 0.05 2.37 9.09 -1.99 0.32 114.58 125.70 1c04 h GLU 57 Ca 0.44 -0.01 -0.09 0.00 0.05 0.00 0.00 59.36 59.75 1c04 h GLU 57 Cb 0.23 -0.04 0.01 0.00 -1.65 0.00 0.00 28.75 27.30 1c04 h GLU 57 CO -0.19 0.12 -0.38 0.00 0.05 0.00 0.00 179.01 178.60 1c04 h ALA 58 N 1.63 -0.02 -0.90 1.06 0.00 -1.14 -2.77 119.26 117.13 1c04 h ALA 58 Ca 0.38 -0.56 0.24 0.00 0.00 0.00 0.00 54.91 54.97 1c04 h ALA 58 Cb 1.23 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 1c04 h ALA 58 CO -0.07 0.17 0.31 0.00 0.00 0.00 0.00 179.25 179.66 1c04 h ALA 59 N 0.12 1.40 0.77 0.00 0.00 0.77 -1.30 119.26 121.02 1c04 h ALA 59 Ca -0.06 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1c04 h ALA 59 Cb 1.24 0.27 0.01 0.00 0.00 0.00 0.00 17.79 19.30 1c04 h ALA 59 CO 0.07 -0.46 -0.37 0.52 0.00 0.00 0.00 179.25 179.01 1c04 h MET 60 N 0.26 -1.00 -0.84 0.00 2.86 -0.55 -2.81 114.93 112.85 1c04 h MET 60 Ca 0.58 0.07 0.30 0.00 -2.06 0.00 0.00 59.70 58.59 1c04 h MET 60 Cb 1.18 0.23 -0.15 0.00 0.06 0.00 0.00 31.60 32.91 1c04 h MET 60 CO -0.63 -0.66 0.26 0.54 1.06 0.00 0.00 176.91 177.48 1c04 n ARG 61 N -5.09 -0.06 0.16 1.72 3.00 -0.53 0.70 116.66 116.57 1c04 n ARG 61 Ca -0.13 1.21 -0.14 0.00 -0.01 0.00 0.00 57.85 58.79 1c04 n ARG 61 Cb 0.41 -2.06 -0.08 0.00 0.00 0.00 0.00 32.46 30.73 1c04 n ARG 61 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 1c04 h MET 62 N 0.00 -0.38 0.04 5.56 2.86 -1.33 -0.04 114.93 121.64 1c04 h MET 62 Ca 0.63 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 58.31 1c04 h MET 62 Cb 1.52 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 33.24 1c04 h MET 62 CO -0.72 -0.10 -0.18 0.82 1.06 0.00 0.00 176.91 177.79 1c04 h ILE 63 N -0.65 0.57 -0.76 -1.22 1.08 0.54 0.15 117.51 117.21 1c04 h ILE 63 Ca -0.04 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.56 1c04 h ILE 63 Cb 0.46 0.57 -0.05 0.00 -3.07 0.00 0.00 36.82 34.73 1c04 h ILE 63 CO 0.07 0.00 0.50 -0.33 -0.69 0.00 0.00 178.15 177.70 1c04 h GLU 64 N -0.32 0.49 0.00 2.37 5.08 -0.60 0.25 114.58 121.85 1c04 h GLU 64 Ca 0.05 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1c04 h GLU 64 Cb 0.37 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1c04 h GLU 64 CO -0.15 0.33 -0.19 0.78 -1.00 0.00 0.00 179.01 178.78 1c04 h GLY 65 N 0.51 0.00 1.52 -3.84 0.00 0.13 -1.88 103.07 99.51 1c04 h GLY 65 Ca 0.37 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.51 1c04 h GLY 65 CO -0.13 0.00 -1.12 -0.84 0.00 0.00 0.00 176.54 174.46 1c04 h THR 66 N 0.00 0.97 -0.18 4.70 2.02 0.80 -3.20 112.91 118.02 1c04 h THR 66 Ca -0.00 -2.56 -0.09 0.00 0.77 0.00 0.00 66.41 64.53 1c04 h THR 66 Cb 0.42 2.42 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 1c04 h THR 66 CO 0.02 0.56 -0.28 0.00 0.37 0.00 0.00 175.52 176.19 1c04 h ALA 67 N 1.25 1.20 -0.10 6.16 0.00 -0.52 -2.93 119.26 124.32 1c04 h ALA 67 Ca -0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1c04 h ALA 67 Cb 1.66 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1c04 h ALA 67 CO 0.08 0.52 -0.00 -0.09 0.00 0.00 0.00 179.25 179.76 1c04 h ARG 68 N 0.30 0.18 -0.77 0.00 2.43 -1.38 0.27 114.38 115.41 1c04 h ARG 68 Ca 0.04 -0.06 0.22 0.00 -0.81 0.00 0.00 59.98 59.38 1c04 h ARG 68 Cb 0.65 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1c04 h ARG 68 CO 0.05 0.44 0.64 0.66 -1.51 0.00 0.00 179.97 180.25 1c04 h SER 69 N -0.11 0.00 -0.01 -3.80 4.64 -1.52 0.58 113.55 113.34 1c04 h SER 69 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1c04 h SER 69 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1c04 h SER 69 CO 0.01 0.00 -0.47 1.15 -0.87 0.00 0.00 176.83 176.64 1c04 n MET 70 N -3.98 2.15 -1.79 4.77 0.00 -1.09 -4.77 117.12 112.41 1c04 n MET 70 Ca 0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 57.70 57.47 1c04 n MET 70 Cb 0.92 -1.18 0.00 0.00 0.00 0.00 0.00 33.22 32.96 1c04 n MET 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1c04 n GLY 71 N 1.20 -2.13 0.00 3.17 0.00 0.20 -3.65 105.19 103.98 1c04 n GLY 71 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1c04 n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71