#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r05 s ALA 2 N 0.00 -1.59 0.00 -5.12 0.00 -1.26 -4.87 121.76 108.93 1r05 s ALA 2 Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1r05 s ALA 2 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1r05 s ALA 2 CO 0.00 -0.31 0.24 -0.25 0.00 0.00 0.00 175.76 175.44 1r05 n ASP 3 N 2.33 0.00 -4.81 0.00 8.00 -1.26 -4.86 116.55 115.94 1r05 n ASP 3 Ca -0.15 0.28 -0.30 0.00 0.71 0.00 0.00 54.79 55.33 1r05 n ASP 3 Cb 0.56 -0.07 0.10 0.00 -0.02 0.00 0.00 41.12 41.68 1r05 n ASP 3 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1r05 s LYS 4 N -0.62 1.95 0.00 -1.24 2.20 -1.26 -5.05 119.74 115.71 1r05 s LYS 4 Ca 0.00 0.53 0.00 0.00 -0.36 0.00 0.00 55.97 56.14 1r05 s LYS 4 Cb 0.00 -1.91 0.00 0.00 -1.51 0.00 0.00 37.83 34.41 1r05 s LYS 4 CO 0.00 -1.69 0.00 -2.13 -0.36 0.00 0.00 175.35 171.17 1r05 n ARG 5 N -3.46 0.00 0.00 4.03 3.00 -1.26 -4.79 116.66 114.18 1r05 n ARG 5 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1r05 n ARG 5 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 1r05 n ARG 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1r05 n ALA 6 N -3.00 0.00 -2.98 5.13 0.00 -1.26 -4.49 120.51 113.91 1r05 n ALA 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1r05 n ALA 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1r05 n ALA 6 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1r05 n HIS 7 N 0.00 0.00 -3.04 0.00 8.25 -1.26 -5.06 115.22 114.11 1r05 n HIS 7 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1r05 n HIS 7 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 1r05 n HIS 7 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1r05 n HIS 8 N 0.00 3.65 -0.98 4.41 -0.00 -1.26 -4.80 115.22 116.23 1r05 n HIS 8 Ca 0.00 -3.75 0.00 0.00 0.46 0.00 0.00 57.72 54.43 1r05 n HIS 8 Cb 0.00 -0.66 0.00 0.00 -0.12 0.00 0.00 29.99 29.21 1r05 n HIS 8 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1r05 n ASN 9 N 0.19 -5.11 -1.94 0.26 2.85 -1.26 -4.95 115.26 105.30 1r05 n ASN 9 Ca 0.32 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.79 1r05 n ASN 9 Cb 0.37 -2.81 0.00 0.00 1.24 0.00 0.00 39.78 38.58 1r05 n ASN 9 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1r05 n ALA 10 N 1.00 0.00 -1.57 5.20 0.00 -1.26 -5.00 120.51 118.88 1r05 n ALA 10 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.90 1r05 n ALA 10 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 1r05 n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1r05 n LEU 11 N 0.00 1.17 0.00 0.00 7.99 -1.26 -4.93 117.00 119.97 1r05 n LEU 11 Ca 0.00 1.13 0.00 0.00 -0.01 0.00 0.00 56.01 57.13 1r05 n LEU 11 Cb 0.00 -1.11 0.00 0.00 -0.11 0.00 0.00 43.42 42.20 1r05 n LEU 11 CO 0.00 -1.28 0.00 1.21 -1.51 0.00 0.00 177.39 175.81 1r05 n GLU 12 N 2.29 1.31 0.00 3.23 4.07 -1.26 -4.82 120.64 125.46 1r05 n GLU 12 Ca 0.19 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 1r05 n GLU 12 Cb 0.16 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.54 1r05 n GLU 12 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1r05 n ARG 13 N 0.00 0.00 0.00 5.31 0.00 -1.26 -4.97 116.66 115.74 1r05 n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1r05 n ARG 13 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1r05 n ARG 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1r05 n LYS 14 N 0.00 0.00 -0.37 2.89 4.81 -1.26 -4.92 118.16 119.31 1r05 n LYS 14 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1r05 n LYS 14 Cb 0.00 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.09 1r05 n LYS 14 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1r05 n ARG 15 N 0.00 1.31 -0.00 1.64 -4.01 -1.26 -3.65 116.66 110.68 1r05 n ARG 15 Ca 0.00 -0.71 0.08 0.00 -1.04 0.00 0.00 57.85 56.18 1r05 n ARG 15 Cb 0.00 -1.28 -0.10 0.00 -3.04 0.00 0.00 32.46 28.04 1r05 n ARG 15 CO 0.00 0.00 0.00 2.89 -3.04 0.00 0.00 177.63 177.48 1r05 n ARG 16 N 0.30 1.33 0.00 2.89 1.85 -1.26 -4.46 116.66 117.31 1r05 n ARG 16 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 1r05 n ARG 16 Cb 0.72 -1.29 0.00 0.00 -1.05 0.00 0.00 32.46 30.84 1r05 n ARG 16 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1r05 n ASP 17 N -1.63 0.84 -0.37 2.89 5.68 -1.24 -4.72 116.55 118.00 1r05 n ASP 17 Ca 0.01 -1.06 0.33 0.00 -0.50 0.00 0.00 54.79 53.57 1r05 n ASP 17 Cb 0.31 0.00 0.67 0.00 -1.14 0.00 0.00 41.12 40.96 1r05 n ASP 17 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 1r05 h HIS 18 N 0.00 0.29 0.00 2.11 2.07 -1.78 -2.36 115.15 115.48 1r05 h HIS 18 Ca 0.00 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1r05 h HIS 18 Cb 0.15 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 30.05 1r05 h HIS 18 CO 0.00 -0.01 0.00 -0.89 -3.07 0.00 0.00 177.93 173.96 1r05 n ILE 19 N -4.38 0.00 -0.13 6.12 2.08 -1.26 -1.86 119.36 119.93 1r05 n ILE 19 Ca 0.29 1.03 0.10 0.00 0.56 0.00 0.00 62.75 64.72 1r05 n ILE 19 Cb 1.23 -1.87 0.19 0.00 -0.75 0.00 0.00 39.64 38.43 1r05 n ILE 19 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1r05 n LYS 20 N -0.74 -0.03 0.12 0.38 4.01 -0.90 0.13 118.16 121.13 1r05 n LYS 20 Ca 0.00 0.57 -0.06 0.00 -0.51 0.00 0.00 58.31 58.31 1r05 n LYS 20 Cb 0.00 -0.97 -0.03 0.00 -0.51 0.00 0.00 35.03 33.52 1r05 n LYS 20 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 1r05 h ASP 21 N 0.00 -0.37 -0.89 4.39 1.82 -1.27 0.23 116.42 120.33 1r05 h ASP 21 Ca 0.30 0.02 0.11 0.00 -0.39 0.00 0.00 57.03 57.07 1r05 h ASP 21 Cb 0.73 0.11 -0.08 0.00 0.68 0.00 0.00 39.33 40.77 1r05 h ASP 21 CO -0.33 -0.21 0.53 0.77 -1.61 0.00 0.00 179.24 178.38 1r05 h SER 22 N -0.34 0.75 -0.55 2.28 4.64 0.18 -1.45 113.55 119.06 1r05 h SER 22 Ca -0.03 0.05 0.06 0.00 -0.47 0.00 0.00 61.79 61.40 1r05 h SER 22 Cb 0.27 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 62.18 1r05 h SER 22 CO 0.02 0.41 -0.56 -0.26 -0.87 0.00 0.00 176.83 175.57 1r05 h PHE 23 N 0.85 -1.75 -0.93 4.77 -1.00 0.82 0.43 116.94 120.13 1r05 h PHE 23 Ca 0.44 0.09 0.17 0.00 2.81 0.00 0.00 57.97 61.48 1r05 h PHE 23 Cb 0.43 0.83 -0.17 0.00 3.61 0.00 0.00 35.95 40.66 1r05 h PHE 23 CO -0.04 -0.46 -0.29 0.45 -1.61 0.00 0.00 178.31 176.35 1r05 h HIS 24 N -0.30 -0.73 -0.70 -0.55 3.86 0.56 2.44 115.15 119.73 1r05 h HIS 24 Ca 0.10 0.09 0.09 0.00 -1.16 0.00 0.00 60.37 59.49 1r05 h HIS 24 Cb 0.55 0.46 -0.07 0.00 1.06 0.00 0.00 27.41 29.41 1r05 h HIS 24 CO -0.80 -0.40 0.34 1.03 0.86 0.00 0.00 177.93 178.96 1r05 h SER 25 N -0.01 0.44 -0.45 2.45 0.87 -0.16 0.57 113.55 117.26 1r05 h SER 25 Ca 0.40 0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.93 1r05 h SER 25 Cb 0.65 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 1r05 h SER 25 CO -0.96 0.25 -0.05 -0.07 -0.53 0.00 0.00 176.83 175.47 1r05 h LEU 26 N 0.58 0.87 -0.99 2.23 3.38 0.60 -2.64 115.31 119.35 1r05 h LEU 26 Ca 0.34 -0.25 0.33 0.00 0.09 0.00 0.00 57.88 58.40 1r05 h LEU 26 Cb 0.36 -0.23 -0.16 0.00 0.09 0.00 0.00 40.66 40.72 1r05 h LEU 26 CO -0.27 0.96 0.52 -0.09 0.09 0.00 0.00 178.44 179.66 1r05 h ARG 27 N 0.81 0.23 0.00 1.13 2.43 0.45 2.07 114.38 121.50 1r05 h ARG 27 Ca 0.14 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 1r05 h ARG 27 Cb 0.56 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1r05 h ARG 27 CO 0.03 0.15 -0.45 -0.44 -1.51 0.00 0.00 179.97 177.75 1r05 h ASP 28 N 0.23 0.00 -0.30 -3.80 5.19 -1.31 -3.30 116.42 113.13 1r05 h ASP 28 Ca 0.74 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 57.21 1r05 h ASP 28 Cb 1.74 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 41.17 1r05 h ASP 28 CO -0.66 0.39 -0.40 -1.28 -3.12 0.00 0.00 179.24 174.17 1r05 h SER 29 N 0.00 -1.31 -3.55 6.45 0.87 0.36 -3.29 113.55 113.07 1r05 h SER 29 Ca -0.01 0.20 -0.70 0.00 -1.23 0.00 0.00 61.79 60.05 1r05 h SER 29 Cb 1.31 0.57 -0.19 0.00 -0.44 0.00 0.00 62.40 63.64 1r05 h SER 29 CO 0.05 -0.38 -0.32 -0.69 -0.53 0.00 0.00 176.83 174.96 1r05 s VAL 30 N -5.89 5.18 0.08 2.23 1.01 -1.13 -4.91 120.40 116.97 1r05 s VAL 30 Ca -0.15 -0.41 0.22 0.00 0.00 0.00 0.00 61.98 61.64 1r05 s VAL 30 Cb 0.11 -3.95 0.19 0.00 0.00 0.00 0.00 36.38 32.73 1r05 s VAL 30 CO 0.65 -0.31 1.75 1.55 0.00 0.00 0.00 175.10 178.74 1r05 h PRO 31 N 8.64 0.00 0.00 2.72 0.13 -1.79 -2.74 132.00 138.96 1r05 h PRO 31 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1r05 h PRO 31 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1r05 h PRO 31 CO 0.75 0.29 -0.48 0.43 -0.23 0.00 0.00 178.00 178.75 1r05 n SER 32 N -3.39 0.64 -0.21 1.44 7.64 -1.26 -3.85 113.62 114.63 1r05 n SER 32 Ca 0.00 0.15 0.27 0.00 1.01 0.00 0.00 58.87 60.30 1r05 n SER 32 Cb 0.49 0.01 0.68 0.00 -1.01 0.00 0.00 64.21 64.38 1r05 n SER 32 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1r05 h LEU 33 N 0.00 0.09 -0.55 -3.43 7.12 -1.81 0.25 115.31 116.98 1r05 h LEU 33 Ca 0.00 0.01 0.05 0.00 0.13 0.00 0.00 57.88 58.07 1r05 h LEU 33 Cb 0.69 -0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.77 1r05 h LEU 33 CO 0.00 0.03 0.29 -0.61 -0.13 0.00 0.00 178.44 178.01 1r05 h GLN 34 N 0.09 0.53 -0.00 1.25 -0.00 -1.76 0.40 115.11 115.62 1r05 h GLN 34 Ca 0.45 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 59.07 1r05 h GLN 34 Cb 1.65 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 29.01 1r05 h GLN 34 CO -0.05 0.35 -0.01 0.41 0.00 0.00 0.00 178.83 179.53 1r05 n GLY 35 N -1.26 -1.19 2.18 2.39 0.00 0.05 -3.54 105.19 103.82 1r05 n GLY 35 Ca 0.05 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1r05 n GLY 35 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1r05 n GLU 36 N -1.19 3.34 -1.52 1.61 0.00 0.07 -5.01 120.64 117.94 1r05 n GLU 36 Ca 0.16 -4.13 -0.19 0.00 0.00 0.00 0.00 57.16 53.00 1r05 n GLU 36 Cb 0.22 -2.18 -0.17 0.00 0.00 0.00 0.00 31.44 29.31 1r05 n GLU 36 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1r05 n LYS 37 N -0.65 0.21 -2.79 5.31 0.00 -0.86 -4.77 118.16 114.62 1r05 n LYS 37 Ca 0.39 -0.31 -0.42 0.00 -0.00 0.00 0.00 58.31 57.97 1r05 n LYS 37 Cb 0.91 -2.02 0.01 0.00 -0.00 0.00 0.00 35.03 33.93 1r05 n LYS 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1r05 n ALA 38 N 10.54 5.64 -1.00 0.58 0.00 -1.26 -4.99 120.51 130.01 1r05 n ALA 38 Ca 0.60 -4.68 0.13 0.00 0.00 0.00 0.00 53.44 49.48 1r05 n ALA 38 Cb 0.25 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.33 1r05 n ALA 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1r05 n SER 39 N 0.81 -6.01 -0.33 0.00 7.64 -1.26 -1.23 113.62 113.24 1r05 n SER 39 Ca 0.37 0.72 0.16 0.00 1.01 0.00 0.00 58.87 61.13 1r05 n SER 39 Cb 0.30 -3.24 0.36 0.00 -1.01 0.00 0.00 64.21 60.62 1r05 n SER 39 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1r05 h ARG 40 N -0.96 0.49 0.00 1.43 2.47 -2.02 1.26 114.38 117.06 1r05 h ARG 40 Ca -0.06 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1r05 h ARG 40 Cb 0.94 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 1r05 h ARG 40 CO 0.03 0.32 0.00 0.00 0.56 0.00 0.00 179.97 180.89 1r05 n ALA 41 N -2.38 2.34 -0.37 0.04 0.00 -1.26 -4.06 120.51 114.83 1r05 n ALA 41 Ca 0.25 -0.03 0.28 0.00 0.00 0.00 0.00 53.44 53.94 1r05 n ALA 41 Cb 0.72 -1.08 0.54 0.00 0.00 0.00 0.00 19.45 19.64 1r05 n ALA 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1r05 h GLN 42 N 0.00 0.25 0.00 0.00 3.07 0.31 2.43 115.11 121.17 1r05 h GLN 42 Ca 0.00 -0.02 -0.10 0.00 0.09 0.00 0.00 58.65 58.62 1r05 h GLN 42 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.49 1r05 h GLN 42 CO 0.00 0.17 -0.49 0.82 0.09 0.00 0.00 178.83 179.42 1r05 h ILE 43 N 0.26 0.99 -0.25 1.86 5.03 -1.81 -3.03 117.51 120.56 1r05 h ILE 43 Ca 0.73 -1.94 -0.11 0.00 -0.12 0.00 0.00 64.86 63.42 1r05 h ILE 43 Cb 1.94 2.17 -0.00 0.00 -3.03 0.00 0.00 36.82 37.89 1r05 h ILE 43 CO -0.48 0.48 -0.28 -0.07 -0.68 0.00 0.00 178.15 177.12 1r05 h LEU 44 N 0.00 0.68 -0.52 1.44 3.38 0.37 2.14 115.31 122.79 1r05 h LEU 44 Ca -0.00 -0.49 0.09 0.00 0.09 0.00 0.00 57.88 57.57 1r05 h LEU 44 Cb 1.13 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1r05 h LEU 44 CO 0.06 1.02 0.11 -0.78 0.09 0.00 0.00 178.44 178.94 1r05 h ASP 45 N 0.34 0.00 0.33 -0.43 3.58 -0.62 0.42 116.42 120.05 1r05 h ASP 45 Ca 0.04 0.09 -0.33 0.00 0.42 0.00 0.00 57.03 57.25 1r05 h ASP 45 Cb 0.85 0.13 0.03 0.00 1.72 0.00 0.00 39.33 42.06 1r05 h ASP 45 CO 0.07 0.02 -1.44 0.50 -2.88 0.00 0.00 179.24 175.51 1r05 h LYS 46 N 0.24 0.49 -0.95 0.28 1.63 -1.41 -2.91 116.57 113.95 1r05 h LYS 46 Ca 0.27 -0.85 0.11 0.00 -0.85 0.00 0.00 60.65 59.34 1r05 h LYS 46 Cb 0.37 0.31 -0.08 0.00 -0.60 0.00 0.00 32.23 32.23 1r05 h LYS 46 CO -0.35 1.40 0.58 0.00 -3.45 0.00 0.00 179.45 177.64 1r05 h ALA 47 N 0.23 1.41 -0.32 5.00 0.00 0.43 0.39 119.26 126.40 1r05 h ALA 47 Ca -0.24 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 1r05 h ALA 47 Cb 2.14 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 1r05 h ALA 47 CO 0.26 0.18 -0.50 1.15 0.00 0.00 0.00 179.25 180.34 1r05 h THR 48 N 0.92 1.27 -0.28 0.00 2.02 -0.23 -2.61 112.91 114.01 1r05 h THR 48 Ca 0.47 -1.68 -0.11 0.00 0.77 0.00 0.00 66.41 65.85 1r05 h THR 48 Cb 0.46 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1r05 h THR 48 CO -0.26 0.55 -0.31 1.05 0.37 0.00 0.00 175.52 176.92 1r05 h GLU 49 N 0.70 0.58 0.00 6.66 -0.00 -1.01 -2.81 114.58 118.70 1r05 h GLU 49 Ca 0.03 -0.25 0.00 0.00 -0.00 0.00 0.00 59.36 59.14 1r05 h GLU 49 Cb 1.11 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.84 1r05 h GLU 49 CO 0.12 0.82 0.00 0.66 -0.00 0.00 0.00 179.01 180.60 1r05 n TYR 50 N -4.08 0.00 -0.41 2.06 4.01 0.13 -0.06 117.16 118.81 1r05 n TYR 50 Ca -0.01 0.00 0.36 0.00 -0.16 0.00 0.00 57.90 58.10 1r05 n TYR 50 Cb 0.46 -0.42 0.64 0.00 -0.31 0.00 0.00 39.34 39.70 1r05 n TYR 50 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1r05 h ILE 51 N 0.00 0.02 0.00 -0.72 2.04 -1.57 1.42 117.51 118.70 1r05 h ILE 51 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1r05 h ILE 51 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1r05 h ILE 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 1r05 n GLN 52 N -4.95 0.00 0.11 2.37 1.13 -1.06 -2.62 117.38 112.36 1r05 n GLN 52 Ca 0.39 0.25 -0.13 0.00 -1.94 0.00 0.00 57.00 55.58 1r05 n GLN 52 Cb 1.44 -0.82 -0.06 0.00 0.11 0.00 0.00 30.24 30.92 1r05 n GLN 52 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 1r05 h TYR 53 N 0.00 -0.73 -0.82 1.08 3.20 -0.08 -0.05 116.97 119.57 1r05 h TYR 53 Ca 0.00 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.09 1r05 h TYR 53 Cb 0.00 0.31 -0.14 0.00 1.54 0.00 0.00 36.73 38.44 1r05 h TYR 53 CO 0.01 -0.37 0.06 1.98 -1.64 0.00 0.00 178.16 178.20 1r05 h MET 54 N -0.48 0.11 -0.37 1.82 4.05 0.19 0.36 114.93 120.62 1r05 h MET 54 Ca 0.03 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 1r05 h MET 54 Cb 0.51 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.27 1r05 h MET 54 CO -0.16 0.08 0.15 -0.09 0.23 0.00 0.00 176.91 177.11 1r05 h ARG 55 N 0.12 0.55 -0.63 0.39 1.12 -1.07 -2.60 114.38 112.26 1r05 h ARG 55 Ca 0.47 -0.10 0.10 0.00 -1.11 0.00 0.00 59.98 59.34 1r05 h ARG 55 Cb 0.88 -0.09 -0.08 0.00 -0.01 0.00 0.00 29.97 30.67 1r05 h ARG 55 CO -0.70 0.53 0.22 -0.09 -3.11 0.00 0.00 179.97 176.82 1r05 h ARG 56 N 0.45 0.38 0.07 0.20 1.12 0.15 -1.85 114.38 114.90 1r05 h ARG 56 Ca 0.12 -0.02 0.02 0.00 -1.11 0.00 0.00 59.98 58.99 1r05 h ARG 56 Cb 0.18 -0.09 -0.03 0.00 -0.01 0.00 0.00 29.97 30.03 1r05 h ARG 56 CO -0.01 0.25 -0.18 0.87 -3.11 0.00 0.00 179.97 177.80 1r05 h LYS 57 N 0.39 -0.31 -0.31 0.20 1.79 -0.74 -2.31 116.57 115.27 1r05 h LYS 57 Ca 0.32 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.87 1r05 h LYS 57 Cb 0.42 0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 31.06 1r05 h LYS 57 CO -0.33 -0.21 -0.49 0.28 -1.08 0.00 0.00 179.45 177.62 1r05 h VAL 58 N -0.33 0.06 -0.16 0.50 2.07 -0.99 1.58 116.25 118.99 1r05 h VAL 58 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1r05 h VAL 58 Cb 0.36 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 1r05 h VAL 58 CO -0.11 0.00 -0.31 -0.74 0.02 0.00 0.00 177.57 176.42 1r05 h HIS 59 N -0.42 -0.94 -0.84 1.57 -0.00 -1.19 0.18 115.15 113.52 1r05 h HIS 59 Ca 0.09 0.04 0.06 0.00 -0.00 0.00 0.00 60.37 60.56 1r05 h HIS 59 Cb 0.62 0.43 -0.05 0.00 -0.00 0.00 0.00 27.41 28.40 1r05 h HIS 59 CO -0.62 -0.29 0.55 1.79 -0.00 0.00 0.00 177.93 179.35 1r05 h THR 60 N -0.27 1.06 0.00 6.26 1.35 -0.91 -1.60 112.91 118.80 1r05 h THR 60 Ca 0.03 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1r05 h THR 60 Cb 0.36 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.82 1r05 h THR 60 CO -0.29 0.17 0.00 0.18 -0.25 0.00 0.00 175.52 175.33 1r05 n LEU 61 N -4.48 0.00 -0.29 3.87 4.77 0.54 -2.25 117.00 119.16 1r05 n LEU 61 Ca 0.12 0.60 0.34 0.00 -0.03 0.00 0.00 56.01 57.04 1r05 n LEU 61 Cb 0.19 -0.10 0.60 0.00 -2.33 0.00 0.00 43.42 41.78 1r05 n LEU 61 CO 0.33 -0.10 1.31 -0.61 -1.33 0.00 0.00 177.39 176.99 1r05 h GLN 62 N 0.00 0.00 -0.51 3.23 4.15 -0.75 0.74 115.11 121.98 1r05 h GLN 62 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1r05 h GLN 62 Cb 0.00 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1r05 h GLN 62 CO 0.00 0.00 0.32 0.37 -1.93 0.00 0.00 178.83 177.59 1r05 h GLN 63 N 0.00 0.64 0.00 1.69 5.75 -0.83 0.22 115.11 122.58 1r05 h GLN 63 Ca 0.56 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 59.02 1r05 h GLN 63 Cb 2.80 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 31.21 1r05 h GLN 63 CO -0.01 0.42 0.00 0.38 -2.65 0.00 0.00 178.83 176.97 1r05 h ASP 64 N 0.65 0.00 0.19 -0.69 3.04 0.80 -2.86 116.42 117.57 1r05 h ASP 64 Ca 0.19 0.00 -0.27 0.00 -3.24 0.00 0.00 57.03 53.71 1r05 h ASP 64 Cb -0.04 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 38.27 1r05 h ASP 64 CO -0.06 0.00 -1.20 0.40 -2.04 0.00 0.00 179.24 176.34 1r05 h ILE 65 N 0.00 1.35 -0.71 4.15 2.04 -0.87 -1.32 117.51 122.14 1r05 h ILE 65 Ca 0.00 -2.60 -0.04 0.00 1.00 0.00 0.00 64.86 63.22 1r05 h ILE 65 Cb 0.73 3.08 -0.03 0.00 -0.74 0.00 0.00 36.82 39.86 1r05 h ILE 65 CO 0.00 0.77 0.30 0.44 0.00 0.00 0.00 178.15 179.65 1r05 h ASP 66 N -0.11 0.95 -0.10 1.72 3.32 -0.59 0.68 116.42 122.30 1r05 h ASP 66 Ca -0.22 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.63 1r05 h ASP 66 Cb 1.91 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 41.22 1r05 h ASP 66 CO 0.20 0.84 -0.23 -0.78 -1.72 0.00 0.00 179.24 177.55 1r05 h ASP 67 N 1.02 0.37 -0.46 6.45 3.58 -1.57 -2.69 116.42 123.12 1r05 h ASP 67 Ca 0.24 -0.58 -0.06 0.00 0.42 0.00 0.00 57.03 57.05 1r05 h ASP 67 Cb 0.18 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 1r05 h ASP 67 CO -0.02 0.89 0.07 -0.07 -2.88 0.00 0.00 179.24 177.23 1r05 h LEU 68 N -0.13 0.79 -0.62 2.28 3.38 -0.96 -2.06 115.31 117.99 1r05 h LEU 68 Ca -0.00 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1r05 h LEU 68 Cb 0.84 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1r05 h LEU 68 CO 0.05 0.81 0.38 0.50 0.09 0.00 0.00 178.44 180.27 1r05 h LYS 69 N 0.79 0.72 -0.34 1.13 1.63 0.43 -1.85 116.57 119.09 1r05 h LYS 69 Ca 0.16 -0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.82 1r05 h LYS 69 Cb 0.37 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1r05 h LYS 69 CO 0.01 0.48 -0.22 -0.09 -3.45 0.00 0.00 179.45 176.18 1r05 h ARG 70 N 0.75 0.65 0.00 1.90 2.43 -1.13 -2.56 114.38 116.42 1r05 h ARG 70 Ca 0.25 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1r05 h ARG 70 Cb 0.03 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1r05 h ARG 70 CO -0.11 0.82 0.00 1.04 -1.51 0.00 0.00 179.97 180.21 1r05 n GLN 71 N -4.12 0.00 -0.40 0.20 6.02 -0.72 -1.02 117.38 117.34 1r05 n GLN 71 Ca 0.00 0.02 0.38 0.00 -0.01 0.00 0.00 57.00 57.39 1r05 n GLN 71 Cb 0.41 -0.70 0.60 0.00 1.02 0.00 0.00 30.24 31.57 1r05 n GLN 71 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 1r05 h ASN 72 N 0.00 0.00 0.34 1.08 -1.07 -1.64 1.41 115.58 115.70 1r05 h ASN 72 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 1r05 h ASN 72 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1r05 h ASN 72 CO 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 177.43 177.34 1r05 h ALA 73 N 0.75 -0.46 0.00 4.14 0.00 -1.17 0.10 119.26 122.63 1r05 h ALA 73 Ca 0.66 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 55.28 1r05 h ALA 73 Cb 3.21 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 21.16 1r05 h ALA 73 CO -0.01 -0.62 -0.70 -0.07 0.00 0.00 0.00 179.25 177.86 1r05 h LEU 74 N -0.74 0.00 0.22 0.00 4.07 0.18 -2.85 115.31 116.19 1r05 h LEU 74 Ca -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1r05 h LEU 74 Cb 0.50 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.24 1r05 h LEU 74 CO 0.08 0.48 -0.11 -0.07 -1.08 0.00 0.00 178.44 177.74 1r05 h LEU 75 N 0.00 -0.25 -1.23 1.67 3.38 0.16 -2.80 115.31 116.24 1r05 h LEU 75 Ca -0.04 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1r05 h LEU 75 Cb 1.40 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 1r05 h LEU 75 CO 0.06 0.03 -0.38 -0.08 0.09 0.00 0.00 178.44 178.16 1r05 h GLU 76 N -0.55 0.00 0.00 1.13 4.81 -1.07 -1.13 114.58 117.77 1r05 h GLU 76 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1r05 h GLU 76 Cb 0.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1r05 h GLU 76 CO 0.05 0.38 0.00 0.94 -0.73 0.00 0.00 179.01 179.65 1r05 n GLN 77 N -3.98 0.06 -0.08 1.92 -0.06 -1.08 -1.08 117.38 113.08 1r05 n GLN 77 Ca -0.02 0.39 -0.11 0.00 -2.00 0.00 0.00 57.00 55.27 1r05 n GLN 77 Cb 0.42 -1.63 -0.08 0.00 -4.06 0.00 0.00 30.24 24.89 1r05 n GLN 77 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1r05 n GLN 78 N -1.75 0.63 0.29 3.69 -0.06 -0.73 -2.77 117.38 116.68 1r05 n GLN 78 Ca 0.02 0.08 0.15 0.00 -2.00 0.00 0.00 57.00 55.25 1r05 n GLN 78 Cb 0.12 -1.35 0.87 0.00 -4.06 0.00 0.00 30.24 25.83 1r05 n GLN 78 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1r05 h VAL 79 N 0.00 0.52 0.00 1.69 2.07 -0.89 -0.92 116.25 118.72 1r05 h VAL 79 Ca -0.38 -0.17 -0.30 0.00 0.82 0.00 0.00 66.70 66.67 1r05 h VAL 79 Cb 1.63 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 32.46 1r05 h VAL 79 CO -0.05 0.04 -2.25 0.54 0.02 0.00 0.00 177.57 175.87 1r05 n ARG 80 N -3.75 0.85 -0.10 1.57 5.12 -0.24 -3.68 116.66 116.43 1r05 n ARG 80 Ca -0.03 -0.04 0.03 0.00 -1.93 0.00 0.00 57.85 55.89 1r05 n ARG 80 Cb 0.13 -1.49 0.08 0.00 -1.16 0.00 0.00 32.46 30.02 1r05 n ARG 80 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1r05 n ALA 81 N -2.63 2.47 0.00 7.54 0.00 -0.88 -4.09 120.51 122.93 1r05 n ALA 81 Ca -0.27 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1r05 n ALA 81 Cb 1.03 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1r05 n ALA 81 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1r05 n LEU 82 N 0.05 0.08 -4.59 0.00 -0.00 -0.41 -4.97 117.00 107.15 1r05 n LEU 82 Ca 0.06 0.00 -0.44 0.00 -0.00 0.00 0.00 56.01 55.63 1r05 n LEU 82 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.57 1r05 n LEU 82 CO 0.04 -0.02 0.58 -1.84 -0.00 0.00 0.00 177.39 176.15 1r05 n GLU 83 N -2.95 1.38 -0.02 1.96 0.28 -1.24 -4.05 120.64 116.00 1r05 n GLU 83 Ca 0.00 0.49 0.00 0.00 -0.16 0.00 0.00 57.16 57.49 1r05 n GLU 83 Cb 0.47 -1.88 0.00 0.00 1.43 0.00 0.00 31.44 31.45 1r05 n GLU 83 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1r05 n GLY 84 N 1.20 0.66 2.10 -1.84 0.00 -1.26 -4.91 105.19 101.13 1r05 n GLY 84 Ca 0.09 -0.32 -0.00 0.00 0.00 0.00 0.00 46.02 45.79 1r05 n GLY 84 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r05 n SER 85 N -0.01 -8.00 0.00 1.61 2.88 -1.26 -5.03 113.62 103.82 1r05 n SER 85 Ca 0.00 1.51 0.00 0.00 -1.33 0.00 0.00 58.87 59.05 1r05 n SER 85 Cb 0.01 -4.42 0.00 0.00 -0.75 0.00 0.00 64.21 59.04 1r05 n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r05 n GLY 86 N 1.48 0.22 0.00 0.46 0.00 -1.26 -5.00 105.19 101.09 1r05 n GLY 86 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1r05 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32