#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r05 n ALA 2 N 0.00 3.63 -2.73 3.04 0.00 -1.26 -4.94 120.51 118.25 1r05 n ALA 2 Ca 0.00 -3.30 -0.05 0.00 0.00 0.00 0.00 53.44 50.09 1r05 n ALA 2 Cb 0.00 -0.81 0.03 0.00 0.00 0.00 0.00 19.45 18.68 1r05 n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1r05 n ASP 3 N -0.32 -2.69 -2.18 0.00 2.03 -1.26 -5.10 116.55 107.04 1r05 n ASP 3 Ca 0.17 -2.55 0.00 0.00 0.52 0.00 0.00 54.79 52.93 1r05 n ASP 3 Cb 0.80 1.48 0.00 0.00 -0.72 0.00 0.00 41.12 42.68 1r05 n ASP 3 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1r05 n LYS 4 N 2.33 -5.35 0.00 -0.67 4.01 -1.26 -4.91 118.16 112.32 1r05 n LYS 4 Ca 0.12 3.84 0.00 0.00 -0.51 0.00 0.00 58.31 61.76 1r05 n LYS 4 Cb 0.61 -4.43 0.00 0.00 -0.51 0.00 0.00 35.03 30.71 1r05 n LYS 4 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1r05 n ARG 5 N 1.85 0.00 -3.91 1.97 1.74 -1.26 -5.01 116.66 112.03 1r05 n ARG 5 Ca 0.00 0.10 -0.01 0.00 -0.77 0.00 0.00 57.85 57.17 1r05 n ARG 5 Cb 0.00 -0.97 0.01 0.00 -1.02 0.00 0.00 32.46 30.48 1r05 n ARG 5 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1r05 s ALA 6 N -2.20 -1.98 -0.93 7.54 0.00 -1.26 -5.03 121.76 117.89 1r05 s ALA 6 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.78 1r05 s ALA 6 Cb 0.00 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.87 1r05 s ALA 6 CO 0.00 -1.10 0.81 1.58 0.00 0.00 0.00 175.76 177.05 1r05 n HIS 7 N -0.77 -2.07 -2.91 0.00 -0.00 -1.26 -5.00 115.22 103.21 1r05 n HIS 7 Ca -0.00 0.76 -0.12 0.00 -0.00 0.00 0.00 57.72 58.35 1r05 n HIS 7 Cb 0.59 -4.08 -0.00 0.00 -0.00 0.00 0.00 29.99 26.50 1r05 n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1r05 n HIS 8 N -3.15 -2.64 -2.32 1.57 -0.00 -1.26 -5.14 115.22 102.28 1r05 n HIS 8 Ca -0.10 -2.17 -0.26 0.00 -0.00 0.00 0.00 57.72 55.19 1r05 n HIS 8 Cb 0.61 1.03 0.12 0.00 -0.00 0.00 0.00 29.99 31.76 1r05 n HIS 8 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1r05 s ASN 9 N -0.67 4.07 0.53 0.26 2.47 -1.26 -5.07 114.94 115.27 1r05 s ASN 9 Ca 0.32 -0.01 -0.07 0.00 0.42 0.00 0.00 52.86 53.52 1r05 s ASN 9 Cb 0.13 -0.32 -0.04 0.00 -1.45 0.00 0.00 41.25 39.57 1r05 s ASN 9 CO -0.16 -2.07 0.87 0.00 -3.72 0.00 0.00 177.10 172.01 1r05 s ALA 10 N -3.38 3.30 -0.44 1.71 0.00 -1.26 -4.99 121.76 116.70 1r05 s ALA 10 Ca 0.67 -0.37 0.22 0.00 0.00 0.00 0.00 51.96 52.49 1r05 s ALA 10 Cb -0.06 -2.75 -0.11 0.00 0.00 0.00 0.00 23.12 20.20 1r05 s ALA 10 CO 0.47 -0.47 0.85 1.47 0.00 0.00 0.00 175.76 178.08 1r05 n LEU 11 N -2.42 0.51 -4.66 0.00 -0.00 -1.26 -4.87 117.00 104.28 1r05 n LEU 11 Ca 0.02 -0.04 -0.43 0.00 -0.00 0.00 0.00 56.01 55.57 1r05 n LEU 11 Cb 0.55 -0.05 -0.02 0.00 -0.00 0.00 0.00 43.42 43.89 1r05 n LEU 11 CO 0.55 0.03 1.06 -1.61 -0.00 0.00 0.00 177.39 177.41 1r05 s GLU 12 N -3.29 4.25 0.94 1.47 2.02 -1.26 -4.98 118.70 117.86 1r05 s GLU 12 Ca 0.00 1.65 -0.15 0.00 0.02 0.00 0.00 54.97 56.48 1r05 s GLU 12 Cb 0.14 -3.73 -0.07 0.00 0.10 0.00 0.00 34.13 30.57 1r05 s GLU 12 CO 0.84 -0.67 -0.22 -2.13 0.02 0.00 0.00 175.26 173.10 1r05 n ARG 13 N 6.39 -0.10 -4.17 1.61 3.00 -1.26 -4.97 116.66 117.17 1r05 n ARG 13 Ca 0.13 -0.01 -0.30 0.00 -0.00 0.00 0.00 57.85 57.68 1r05 n ARG 13 Cb 0.45 -1.39 -0.09 0.00 0.00 0.00 0.00 32.46 31.44 1r05 n ARG 13 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1r05 s LYS 14 N -2.65 2.40 0.01 -0.14 -0.14 -1.26 -5.02 119.74 112.95 1r05 s LYS 14 Ca 0.49 -0.90 0.22 0.00 -1.36 0.00 0.00 55.97 54.42 1r05 s LYS 14 Cb -0.22 -2.46 -0.19 0.00 -1.68 0.00 0.00 37.83 33.28 1r05 s LYS 14 CO 0.75 0.53 0.78 -2.13 -0.76 0.00 0.00 175.35 174.51 1r05 n ARG 15 N 0.63 0.35 -0.06 1.68 0.63 -1.26 -3.83 116.66 114.80 1r05 n ARG 15 Ca -0.12 -0.07 -0.14 0.00 -0.92 0.00 0.00 57.85 56.60 1r05 n ARG 15 Cb 0.52 -1.54 -0.13 0.00 0.45 0.00 0.00 32.46 31.76 1r05 n ARG 15 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1r05 h ARG 16 N 0.00 0.00 -0.55 -0.14 1.12 -2.03 -3.24 114.38 109.54 1r05 h ARG 16 Ca 0.00 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1r05 h ARG 16 Cb 0.77 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.73 1r05 h ARG 16 CO 0.00 0.94 0.00 -0.25 -3.11 0.00 0.00 179.97 177.55 1r05 n ASP 17 N -4.64 1.60 0.19 -3.80 9.92 -1.26 -4.36 116.55 114.20 1r05 n ASP 17 Ca -0.10 -2.12 -0.08 0.00 -0.53 0.00 0.00 54.79 51.96 1r05 n ASP 17 Cb 0.45 -0.34 -0.04 0.00 -0.64 0.00 0.00 41.12 40.55 1r05 n ASP 17 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 1r05 h HIS 18 N 1.03 -0.49 0.39 1.24 2.76 -1.66 -2.87 115.15 115.56 1r05 h HIS 18 Ca 0.00 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1r05 h HIS 18 Cb 0.57 0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.67 1r05 h HIS 18 CO 0.20 -0.29 -0.43 -0.84 -1.30 0.00 0.00 177.93 175.26 1r05 h ILE 19 N -0.50 0.14 -0.39 6.26 3.07 -1.83 -2.34 117.51 121.92 1r05 h ILE 19 Ca -0.05 0.00 0.07 0.00 1.55 0.00 0.00 64.86 66.43 1r05 h ILE 19 Cb 0.39 0.14 -0.07 0.00 -0.27 0.00 0.00 36.82 37.01 1r05 h ILE 19 CO 0.07 0.00 -0.14 0.29 -1.05 0.00 0.00 178.15 177.32 1r05 n LYS 20 N -5.51 -0.07 0.30 0.16 4.76 -1.23 0.28 118.16 116.84 1r05 n LYS 20 Ca -0.10 0.60 -0.18 0.00 -2.87 0.00 0.00 58.31 55.76 1r05 n LYS 20 Cb 0.41 -0.89 -0.10 0.00 -1.84 0.00 0.00 35.03 32.61 1r05 n LYS 20 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1r05 h ASP 21 N 0.00 -1.36 -0.40 4.39 5.19 -1.19 0.53 116.42 123.57 1r05 h ASP 21 Ca 0.15 0.11 0.04 0.00 -0.62 0.00 0.00 57.03 56.71 1r05 h ASP 21 Cb 0.25 0.45 -0.04 0.00 0.18 0.00 0.00 39.33 40.16 1r05 h ASP 21 CO -0.39 -0.67 0.17 -1.28 -3.12 0.00 0.00 179.24 173.95 1r05 h SER 22 N -1.01 0.21 -0.67 6.45 0.87 0.40 -1.89 113.55 117.92 1r05 h SER 22 Ca -0.07 0.03 0.10 0.00 -1.23 0.00 0.00 61.79 60.62 1r05 h SER 22 Cb 0.87 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.72 1r05 h SER 22 CO -0.05 0.16 -0.45 -0.26 -0.53 0.00 0.00 176.83 175.70 1r05 h PHE 23 N 0.35 -1.32 -0.90 2.24 0.04 0.49 0.74 116.94 118.57 1r05 h PHE 23 Ca 0.18 0.09 0.22 0.00 2.80 0.00 0.00 57.97 61.26 1r05 h PHE 23 Cb 0.13 0.67 -0.16 0.00 2.20 0.00 0.00 35.95 38.79 1r05 h PHE 23 CO -0.13 -0.42 -0.02 1.25 -0.60 0.00 0.00 178.31 178.39 1r05 h HIS 24 N -0.18 -0.12 -0.04 -0.55 -0.00 0.86 1.42 115.15 116.54 1r05 h HIS 24 Ca 0.20 0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 60.63 1r05 h HIS 24 Cb 0.55 0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 28.16 1r05 h HIS 24 CO -0.76 -0.36 0.02 1.03 -0.00 0.00 0.00 177.93 177.86 1r05 h SER 25 N 0.04 0.05 -0.92 3.26 0.87 0.49 -1.77 113.55 115.58 1r05 h SER 25 Ca 0.51 -0.16 0.14 0.00 -1.23 0.00 0.00 61.79 61.05 1r05 h SER 25 Cb 0.96 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.84 1r05 h SER 25 CO -0.84 0.20 0.59 -0.07 -0.53 0.00 0.00 176.83 176.17 1r05 h LEU 26 N -0.09 0.71 -1.70 2.23 3.38 0.35 0.89 115.31 121.07 1r05 h LEU 26 Ca 0.01 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.21 1r05 h LEU 26 Cb 0.16 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1r05 h LEU 26 CO -0.00 0.36 0.53 -0.09 0.09 0.00 0.00 178.44 179.33 1r05 h ARG 27 N 0.75 0.26 0.00 1.13 9.65 0.24 1.33 114.38 127.74 1r05 h ARG 27 Ca 0.46 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 59.28 1r05 h ARG 27 Cb 0.69 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 1r05 h ARG 27 CO -0.22 0.17 -0.23 0.22 2.80 0.00 0.00 179.97 182.71 1r05 h ASP 28 N 0.27 0.00 0.00 -3.80 3.58 0.11 -3.22 116.42 113.36 1r05 h ASP 28 Ca 0.39 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.84 1r05 h ASP 28 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1r05 h ASP 28 CO -0.10 0.23 0.00 -1.20 -2.88 0.00 0.00 179.24 175.30 1r05 n SER 29 N -3.70 0.00 -4.27 2.28 7.64 0.46 -4.53 113.62 111.50 1r05 n SER 29 Ca -0.01 0.53 -0.40 0.00 1.01 0.00 0.00 58.87 60.00 1r05 n SER 29 Cb 0.35 -0.19 -0.10 0.00 -1.01 0.00 0.00 64.21 63.26 1r05 n SER 29 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1r05 s VAL 30 N -1.33 4.17 -0.17 0.44 1.01 -1.15 -5.04 120.40 118.33 1r05 s VAL 30 Ca 0.00 -1.39 -0.29 0.00 0.00 0.00 0.00 61.98 60.30 1r05 s VAL 30 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1r05 s VAL 30 CO 0.00 -0.48 1.86 -2.16 0.00 0.00 0.00 175.10 174.31 1r05 s PRO 31 N 1.42 3.66 0.00 2.72 0.04 -1.22 -1.29 135.00 140.33 1r05 s PRO 31 Ca 0.03 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1r05 s PRO 31 Cb -0.23 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1r05 s PRO 31 CO 0.02 -1.47 0.00 0.43 0.04 0.00 0.00 177.00 176.02 1r05 n SER 32 N 9.22 -4.95 0.00 6.66 7.64 -1.26 -2.07 113.62 128.86 1r05 n SER 32 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1r05 n SER 32 Cb 0.44 -2.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.07 1r05 n SER 32 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1r05 n LEU 33 N 0.00 0.44 -3.77 -3.43 7.99 -0.41 -3.85 117.00 113.96 1r05 n LEU 33 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.71 1r05 n LEU 33 Cb 0.34 -0.66 -0.02 0.00 -0.11 0.00 0.00 43.42 42.97 1r05 n LEU 33 CO 0.00 -0.22 -0.04 1.67 -1.51 0.00 0.00 177.39 177.29 1r05 n GLN 34 N -2.00 -3.07 0.00 3.23 7.27 -0.88 -3.04 117.38 118.90 1r05 n GLN 34 Ca 0.00 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.44 1r05 n GLN 34 Cb 0.00 -5.07 0.00 0.00 2.41 0.00 0.00 30.24 27.58 1r05 n GLN 34 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1r05 n GLY 35 N -1.21 3.68 3.74 1.69 0.00 -1.25 -5.11 105.19 106.73 1r05 n GLY 35 Ca 0.04 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1r05 n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r05 s GLU 36 N 0.00 4.37 0.66 1.61 0.41 -1.17 -4.84 118.70 119.74 1r05 s GLU 36 Ca 0.00 2.11 0.27 0.00 -0.41 0.00 0.00 54.97 56.94 1r05 s GLU 36 Cb 0.00 -3.17 1.49 0.00 -1.78 0.00 0.00 34.13 30.67 1r05 s GLU 36 CO 0.00 -0.27 1.84 0.87 -0.49 0.00 0.00 175.26 177.22 1r05 h LYS 37 N 5.12 0.00 -5.92 1.61 1.79 -1.94 -3.42 116.57 113.81 1r05 h LYS 37 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1r05 h LYS 37 Cb 1.22 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.84 1r05 h LYS 37 CO 0.76 0.00 -0.44 0.00 -1.08 0.00 0.00 179.45 178.70 1r05 n ALA 38 N -1.90 -1.70 -0.85 3.86 0.00 -1.26 -5.01 120.51 113.65 1r05 n ALA 38 Ca -0.01 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1r05 n ALA 38 Cb 0.46 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1r05 n ALA 38 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1r05 n SER 39 N 2.23 0.00 -0.07 0.00 3.41 -1.26 -4.80 113.62 113.13 1r05 n SER 39 Ca -0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.37 1r05 n SER 39 Cb 0.18 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.05 1r05 n SER 39 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1r05 n ARG 40 N -1.39 0.35 -0.93 4.33 5.12 -1.26 -4.51 116.66 118.37 1r05 n ARG 40 Ca 0.00 0.15 -0.20 0.00 -1.93 0.00 0.00 57.85 55.87 1r05 n ARG 40 Cb 0.00 -1.09 0.08 0.00 -1.16 0.00 0.00 32.46 30.30 1r05 n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1r05 n ALA 41 N -3.83 5.06 -0.20 7.54 0.00 -1.26 -4.70 120.51 123.13 1r05 n ALA 41 Ca -0.28 -2.11 -0.06 0.00 0.00 0.00 0.00 53.44 51.00 1r05 n ALA 41 Cb 0.64 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 1r05 n ALA 41 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1r05 h GLN 42 N 1.17 -0.04 0.00 0.00 7.50 -1.87 0.50 115.11 122.37 1r05 h GLN 42 Ca 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.55 1r05 h GLN 42 Cb 1.53 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 29.07 1r05 h GLN 42 CO 0.90 -0.03 -0.07 0.82 -1.50 0.00 0.00 178.83 178.95 1r05 h ILE 43 N -0.04 0.15 0.27 2.54 5.03 -1.91 -3.10 117.51 120.46 1r05 h ILE 43 Ca 0.08 -0.80 -0.01 0.00 -0.12 0.00 0.00 64.86 64.00 1r05 h ILE 43 Cb 0.24 1.70 0.00 0.00 -3.03 0.00 0.00 36.82 35.73 1r05 h ILE 43 CO -0.47 0.07 -0.13 -0.07 -0.68 0.00 0.00 178.15 176.86 1r05 h LEU 44 N 0.00 -0.31 -0.23 1.44 3.38 -0.48 2.93 115.31 122.04 1r05 h LEU 44 Ca -0.00 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1r05 h LEU 44 Cb 0.69 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 1r05 h LEU 44 CO 0.01 -0.15 -0.34 -0.78 0.09 0.00 0.00 178.44 177.28 1r05 h ASP 45 N -0.45 -1.07 0.52 -0.43 3.58 -0.65 0.92 116.42 118.84 1r05 h ASP 45 Ca -0.04 0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 1r05 h ASP 45 Cb 0.34 0.47 0.01 0.00 1.72 0.00 0.00 39.33 41.86 1r05 h ASP 45 CO 0.06 -0.35 -0.25 0.50 -2.88 0.00 0.00 179.24 176.32 1r05 h LYS 46 N -0.36 -0.67 -0.69 0.28 1.63 -1.43 -2.96 116.57 112.38 1r05 h LYS 46 Ca 0.12 0.05 0.09 0.00 -0.85 0.00 0.00 60.65 60.06 1r05 h LYS 46 Cb 0.55 0.15 -0.10 0.00 -0.60 0.00 0.00 32.23 32.23 1r05 h LYS 46 CO -0.42 -0.45 -0.30 0.00 -3.45 0.00 0.00 179.45 174.82 1r05 n ALA 47 N -2.45 -0.18 0.05 5.00 0.00 0.98 0.10 120.51 124.01 1r05 n ALA 47 Ca -0.09 0.66 -0.11 0.00 0.00 0.00 0.00 53.44 53.90 1r05 n ALA 47 Cb 0.27 -0.25 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 1r05 n ALA 47 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1r05 h THR 48 N 0.00 0.53 0.00 0.00 2.02 -0.83 0.93 112.91 115.56 1r05 h THR 48 Ca 0.21 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.37 1r05 h THR 48 Cb 0.38 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1r05 h THR 48 CO -0.67 0.00 -0.07 1.05 0.37 0.00 0.00 175.52 176.19 1r05 h GLU 49 N -0.31 0.00 0.01 6.66 -0.00 -0.16 -2.81 114.58 117.96 1r05 h GLU 49 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.42 1r05 h GLU 49 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.14 1r05 h GLU 49 CO -0.19 0.07 -0.00 1.88 -0.00 0.00 0.00 179.01 180.77 1r05 h TYR 50 N 0.00 -0.01 0.02 2.06 -1.99 0.54 -2.92 116.97 114.67 1r05 h TYR 50 Ca -0.00 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.76 1r05 h TYR 50 Cb 0.22 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.90 1r05 h TYR 50 CO 0.00 0.82 -0.37 0.82 -0.00 0.00 0.00 178.16 179.43 1r05 h ILE 51 N -0.94 0.23 0.26 -2.88 2.04 -0.73 0.24 117.51 115.74 1r05 h ILE 51 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1r05 h ILE 51 Cb 0.83 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1r05 h ILE 51 CO 0.00 0.00 -0.22 1.56 0.00 0.00 0.00 178.15 179.49 1r05 h GLN 52 N -0.54 -0.45 -0.20 2.37 7.50 -1.65 -0.99 115.11 121.15 1r05 h GLN 52 Ca 0.05 0.03 0.03 0.00 0.50 0.00 0.00 58.65 59.26 1r05 h GLN 52 Cb 0.61 0.10 -0.05 0.00 0.05 0.00 0.00 27.48 28.19 1r05 h GLN 52 CO -0.28 -0.30 -0.37 -0.92 -1.50 0.00 0.00 178.83 175.45 1r05 h TYR 53 N -0.47 -1.14 0.00 2.96 3.20 -1.43 -1.16 116.97 118.94 1r05 h TYR 53 Ca -0.03 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1r05 h TYR 53 Cb 0.40 0.52 0.00 0.00 1.54 0.00 0.00 36.73 39.19 1r05 h TYR 53 CO -0.10 -0.35 0.00 -1.33 -1.64 0.00 0.00 178.16 174.75 1r05 n MET 54 N -4.51 0.00 -0.35 1.82 2.81 0.83 -1.80 117.12 115.93 1r05 n MET 54 Ca -0.03 0.72 0.08 0.00 -1.81 0.00 0.00 57.70 56.66 1r05 n MET 54 Cb 0.24 -1.37 0.17 0.00 -0.71 0.00 0.00 33.22 31.55 1r05 n MET 54 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1r05 n ARG 55 N -2.23 -0.09 0.00 0.03 0.63 -0.38 -0.28 116.66 114.35 1r05 n ARG 55 Ca 0.00 1.51 0.00 0.00 -0.92 0.00 0.00 57.85 58.44 1r05 n ARG 55 Cb 0.00 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 30.63 1r05 n ARG 55 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1r05 n ARG 56 N -5.56 0.00 -0.23 -0.14 1.74 -0.45 -2.17 116.66 109.85 1r05 n ARG 56 Ca 0.17 0.55 0.04 0.00 -0.77 0.00 0.00 57.85 57.84 1r05 n ARG 56 Cb 0.55 -1.34 0.16 0.00 -1.02 0.00 0.00 32.46 30.81 1r05 n ARG 56 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1r05 h LYS 57 N 0.00 0.33 -0.92 5.56 6.56 -0.80 -2.40 116.57 124.90 1r05 h LYS 57 Ca 0.00 -0.02 0.08 0.00 -1.06 0.00 0.00 60.65 59.65 1r05 h LYS 57 Cb 0.00 -0.07 -0.12 0.00 -0.57 0.00 0.00 32.23 31.47 1r05 h LYS 57 CO 0.00 0.22 -0.58 0.28 -2.06 0.00 0.00 179.45 177.31 1r05 h VAL 58 N 0.34 0.00 0.94 0.50 2.07 -0.36 1.40 116.25 121.14 1r05 h VAL 58 Ca 0.38 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.85 1r05 h VAL 58 Cb 0.59 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1r05 h VAL 58 CO -0.42 0.00 -0.47 -0.74 0.02 0.00 0.00 177.57 175.95 1r05 h HIS 59 N -0.06 -1.23 -0.27 1.57 -0.00 -0.93 -2.07 115.15 112.16 1r05 h HIS 59 Ca 0.15 -0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.56 1r05 h HIS 59 Cb 0.44 0.42 -0.07 0.00 -0.00 0.00 0.00 27.41 28.20 1r05 h HIS 59 CO -0.99 -0.75 -0.15 1.15 -0.00 0.00 0.00 177.93 177.19 1r05 h THR 60 N -1.29 0.54 -0.01 6.26 2.02 -1.12 -2.64 112.91 116.66 1r05 h THR 60 Ca -0.13 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1r05 h THR 60 Cb 1.00 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1r05 h THR 60 CO 0.20 0.00 -0.22 -0.07 0.37 0.00 0.00 175.52 175.80 1r05 h LEU 61 N -0.12 -0.69 -0.92 2.58 3.38 0.19 -2.59 115.31 117.14 1r05 h LEU 61 Ca 0.15 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.31 1r05 h LEU 61 Cb 0.35 0.26 -0.13 0.00 0.09 0.00 0.00 40.66 41.23 1r05 h LEU 61 CO -0.35 -0.21 -0.49 -0.61 0.09 0.00 0.00 178.44 176.86 1r05 h GLN 62 N -0.27 -0.05 -1.06 1.13 5.75 -1.22 0.67 115.11 120.07 1r05 h GLN 62 Ca 0.01 0.00 0.39 0.00 -0.15 0.00 0.00 58.65 58.90 1r05 h GLN 62 Cb 0.29 0.01 -0.16 0.00 1.07 0.00 0.00 27.48 28.69 1r05 h GLN 62 CO -0.15 -0.03 0.61 0.37 -2.65 0.00 0.00 178.83 176.98 1r05 h GLN 63 N -0.05 0.12 0.00 1.69 5.75 -1.11 1.94 115.11 123.46 1r05 h GLN 63 Ca 0.23 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.61 1r05 h GLN 63 Cb 0.51 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 1r05 h GLN 63 CO -0.91 0.08 -0.54 0.22 -2.65 0.00 0.00 178.83 175.03 1r05 h ASP 64 N 0.13 0.00 0.49 -0.69 1.82 0.58 -2.82 116.42 115.93 1r05 h ASP 64 Ca 0.81 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 57.27 1r05 h ASP 64 Cb 2.12 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 42.12 1r05 h ASP 64 CO -0.64 0.54 -0.75 0.40 -1.61 0.00 0.00 179.24 177.18 1r05 h ILE 65 N 0.00 1.45 0.26 2.25 2.04 0.35 -2.94 117.51 120.92 1r05 h ILE 65 Ca -0.01 -2.33 -0.01 0.00 1.00 0.00 0.00 64.86 63.52 1r05 h ILE 65 Cb 1.06 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1r05 h ILE 65 CO 0.07 0.68 -0.12 -0.78 0.00 0.00 0.00 178.15 178.00 1r05 h ASP 66 N 0.14 -0.30 -0.87 1.72 3.58 -1.02 -2.45 116.42 117.22 1r05 h ASP 66 Ca -0.03 -0.23 0.19 0.00 0.42 0.00 0.00 57.03 57.38 1r05 h ASP 66 Cb 1.32 0.08 -0.06 0.00 1.72 0.00 0.00 39.33 42.38 1r05 h ASP 66 CO 0.11 0.15 0.58 0.44 -2.88 0.00 0.00 179.24 177.64 1r05 h ASP 67 N -0.83 0.43 0.07 2.28 3.32 -1.58 -2.35 116.42 117.76 1r05 h ASP 67 Ca -0.04 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r05 h ASP 67 Cb 0.51 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1r05 h ASP 67 CO 0.06 0.19 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.66 1r05 h LEU 68 N 0.44 -0.08 -1.89 1.55 -0.00 -1.44 -2.71 115.31 111.17 1r05 h LEU 68 Ca 0.45 0.00 0.54 0.00 -0.00 0.00 0.00 57.88 58.87 1r05 h LEU 68 Cb 1.07 0.02 -0.09 0.00 -0.00 0.00 0.00 40.66 41.66 1r05 h LEU 68 CO -0.17 -0.03 1.30 0.50 -0.00 0.00 0.00 178.44 180.03 1r05 h LYS 69 N -0.13 0.01 -0.08 1.13 3.64 -1.28 0.76 116.57 120.61 1r05 h LYS 69 Ca -0.01 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1r05 h LYS 69 Cb 0.07 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1r05 h LYS 69 CO 0.01 0.00 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.03 1r05 h ARG 70 N 0.01 0.20 0.00 1.90 9.65 -1.37 -2.94 114.38 121.82 1r05 h ARG 70 Ca 0.90 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 59.68 1r05 h ARG 70 Cb 3.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 32.09 1r05 h ARG 70 CO -0.09 0.62 0.00 1.04 2.80 0.00 0.00 179.97 184.34 1r05 n GLN 71 N -4.70 0.00 -0.34 0.20 1.13 0.26 -1.62 117.38 112.31 1r05 n GLN 71 Ca -0.07 0.20 0.34 0.00 -1.94 0.00 0.00 57.00 55.53 1r05 n GLN 71 Cb 0.30 -1.19 0.52 0.00 0.11 0.00 0.00 30.24 29.99 1r05 n GLN 71 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1r05 n ASN 72 N -1.09 0.00 -0.03 1.08 0.23 -1.11 0.15 115.26 114.49 1r05 n ASN 72 Ca 0.00 0.79 -0.14 0.00 -0.53 0.00 0.00 54.58 54.70 1r05 n ASN 72 Cb 0.00 -0.31 -0.10 0.00 -2.08 0.00 0.00 39.78 37.28 1r05 n ASN 72 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1r05 h ALA 73 N 0.63 0.06 -0.09 -2.53 0.00 -1.29 -2.28 119.26 113.75 1r05 h ALA 73 Ca 0.60 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 1r05 h ALA 73 Cb 3.06 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 20.84 1r05 h ALA 73 CO -0.01 0.01 -0.74 -0.07 0.00 0.00 0.00 179.25 178.44 1r05 h LEU 74 N -0.44 0.59 0.28 0.00 3.38 0.24 -2.96 115.31 116.41 1r05 h LEU 74 Ca -0.01 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1r05 h LEU 74 Cb 0.83 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1r05 h LEU 74 CO 0.03 1.14 -0.23 -0.07 0.09 0.00 0.00 178.44 179.41 1r05 h LEU 75 N 0.34 -0.60 -0.61 1.67 4.07 -0.30 -2.48 115.31 117.40 1r05 h LEU 75 Ca -0.04 0.05 0.11 0.00 0.08 0.00 0.00 57.88 58.08 1r05 h LEU 75 Cb 1.33 0.20 -0.08 0.00 1.08 0.00 0.00 40.66 43.19 1r05 h LEU 75 CO 0.13 -0.35 0.18 -0.33 -1.08 0.00 0.00 178.44 176.99 1r05 h GLU 76 N -0.52 0.32 0.00 1.13 5.08 -1.44 1.16 114.58 120.31 1r05 h GLU 76 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1r05 h GLU 76 Cb 0.46 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1r05 h GLU 76 CO -0.02 0.21 0.32 0.37 -1.00 0.00 0.00 179.01 178.89 1r05 h GLN 77 N 0.33 0.00 0.00 2.33 5.75 -1.27 0.22 115.11 122.46 1r05 h GLN 77 Ca 0.31 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 58.53 1r05 h GLN 77 Cb 0.44 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.94 1r05 h GLN 77 CO -0.36 0.00 -2.04 0.94 -2.65 0.00 0.00 178.83 174.72 1r05 n GLN 78 N -2.79 0.44 -0.29 1.69 7.27 0.14 -2.80 117.38 121.05 1r05 n GLN 78 Ca -0.02 0.13 0.12 0.00 0.07 0.00 0.00 57.00 57.30 1r05 n GLN 78 Cb 0.36 -1.30 0.37 0.00 2.41 0.00 0.00 30.24 32.08 1r05 n GLN 78 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1r05 h VAL 79 N -0.23 0.82 0.00 1.69 2.07 0.20 -2.48 116.25 118.32 1r05 h VAL 79 Ca -0.43 -0.24 -0.35 0.00 0.82 0.00 0.00 66.70 66.49 1r05 h VAL 79 Cb 1.56 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 1r05 h VAL 79 CO -0.14 0.13 -2.28 -1.14 0.02 0.00 0.00 177.57 174.16 1r05 n ARG 80 N -4.58 0.68 -0.24 1.57 0.63 0.68 -3.77 116.66 111.63 1r05 n ARG 80 Ca 0.18 0.03 0.05 0.00 -0.92 0.00 0.00 57.85 57.19 1r05 n ARG 80 Cb 0.49 -1.56 0.17 0.00 0.45 0.00 0.00 32.46 32.00 1r05 n ARG 80 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1r05 h ALA 81 N 1.02 0.90 0.19 5.13 0.00 -1.28 -1.89 119.26 123.33 1r05 h ALA 81 Ca -0.50 0.17 -0.31 0.00 0.00 0.00 0.00 54.91 54.27 1r05 h ALA 81 Cb 2.19 0.24 0.03 0.00 0.00 0.00 0.00 17.79 20.25 1r05 h ALA 81 CO 0.04 -0.34 -1.32 1.25 0.00 0.00 0.00 179.25 178.88 1r05 h LEU 82 N 0.25 0.83 -6.16 0.00 6.46 -1.71 -3.37 115.31 111.61 1r05 h LEU 82 Ca 0.40 -0.88 -0.40 0.00 -0.12 0.00 0.00 57.88 56.88 1r05 h LEU 82 Cb 0.67 -0.27 0.05 0.00 -0.73 0.00 0.00 40.66 40.39 1r05 h LEU 82 CO -0.51 1.64 1.88 1.21 -0.62 0.00 0.00 178.44 182.05 1r05 n GLU 83 N -3.80 1.00 0.00 1.25 2.13 -0.71 -3.33 120.64 117.18 1r05 n GLU 83 Ca -0.15 -1.23 0.00 0.00 0.66 0.00 0.00 57.16 56.44 1r05 n GLU 83 Cb 1.03 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 30.27 1r05 n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r05 n GLY 84 N 4.27 0.02 2.29 8.31 0.00 -1.26 -4.92 105.19 113.90 1r05 n GLY 84 Ca 0.35 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.45 1.21 -3.55 1.61 2.88 -1.21 -5.03 113.62 108.08 1r05 n SER 85 Ca 0.00 -2.02 -0.25 0.00 -1.33 0.00 0.00 58.87 55.27 1r05 n SER 85 Cb 0.00 -0.36 0.01 0.00 -0.75 0.00 0.00 64.21 63.11 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 -0.20 -0.85 1.51 0.46 0.00 -1.26 -5.19 105.19 99.66 1r05 n GLY 86 Ca 0.05 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1r05 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32