#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 1.87 -0.11 -5.12 0.00 -1.26 -4.73 121.76 112.42 1r05 s ALA 2 Ca 0.00 -0.42 0.19 0.00 0.00 0.00 0.00 51.96 51.73 1r05 s ALA 2 Cb 0.00 -4.34 -0.28 0.00 0.00 0.00 0.00 23.12 18.50 1r05 s ALA 2 CO 0.00 -4.24 0.26 -3.47 0.00 0.00 0.00 175.76 168.30 1r05 n ASP 3 N 14.31 0.25 -4.29 0.00 -0.08 -1.26 -4.93 116.55 120.55 1r05 n ASP 3 Ca 0.29 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 53.25 1r05 n ASP 3 Cb 0.53 1.45 -0.16 0.00 2.34 0.00 0.00 41.12 45.28 1r05 n ASP 3 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1r05 s LYS 4 N -2.94 2.52 -0.45 -0.67 -2.85 -1.26 -5.06 119.74 109.03 1r05 s LYS 4 Ca -0.09 -0.88 0.07 0.00 -1.00 0.00 0.00 55.97 54.07 1r05 s LYS 4 Cb 0.09 -2.18 0.23 0.00 -2.06 0.00 0.00 37.83 33.91 1r05 s LYS 4 CO 0.83 0.42 0.70 -2.13 0.10 0.00 0.00 175.35 175.27 1r05 n ARG 5 N 2.85 0.69 0.00 1.78 0.63 -1.26 -5.14 116.66 116.21 1r05 n ARG 5 Ca -0.17 -2.39 0.00 0.00 -0.92 0.00 0.00 57.85 54.36 1r05 n ARG 5 Cb 0.52 -1.39 0.00 0.00 0.45 0.00 0.00 32.46 32.04 1r05 n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1r05 n ALA 6 N 1.77 0.00 -2.89 5.13 0.00 -1.26 -4.87 120.51 118.39 1r05 n ALA 6 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.16 1r05 n ALA 6 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 1r05 n ALA 6 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1r05 s HIS 7 N 0.00 2.99 -0.53 0.00 3.76 -1.26 -4.64 115.29 115.61 1r05 s HIS 7 Ca 0.00 -0.67 -0.29 0.00 -0.15 0.00 0.00 55.06 53.95 1r05 s HIS 7 Cb 0.00 -3.78 0.04 0.00 1.11 0.00 0.00 32.58 29.95 1r05 s HIS 7 CO 0.00 -1.18 0.65 0.72 -0.85 0.00 0.00 174.74 174.08 1r05 n HIS 8 N 6.38 -2.64 -1.65 1.40 8.25 -1.26 -4.81 115.22 120.90 1r05 n HIS 8 Ca -0.07 1.10 -0.38 0.00 -0.26 0.00 0.00 57.72 58.11 1r05 n HIS 8 Cb 0.44 -2.23 0.05 0.00 1.12 0.00 0.00 29.99 29.37 1r05 n HIS 8 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1r05 n ASN 9 N -0.74 1.24 -3.15 0.41 5.15 -1.26 -5.00 115.26 111.91 1r05 n ASN 9 Ca -0.12 0.85 0.04 0.00 -0.60 0.00 0.00 54.58 54.75 1r05 n ASN 9 Cb 0.66 -1.43 -0.01 0.00 -0.53 0.00 0.00 39.78 38.47 1r05 n ASN 9 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1r05 s ALA 10 N -1.45 -2.36 0.00 5.20 0.00 -1.26 -5.01 121.76 116.88 1r05 s ALA 10 Ca 0.75 1.65 0.00 0.00 0.00 0.00 0.00 51.96 54.36 1r05 s ALA 10 Cb -0.42 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1r05 s ALA 10 CO 0.47 -1.46 0.00 1.47 0.00 0.00 0.00 175.76 176.24 1r05 n LEU 11 N 5.43 0.00 -4.13 0.00 -0.00 -1.26 -4.90 117.00 112.14 1r05 n LEU 11 Ca 0.00 -0.08 -0.38 0.00 -0.00 0.00 0.00 56.01 55.56 1r05 n LEU 11 Cb 0.52 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.86 1r05 n LEU 11 CO 0.00 0.00 0.16 -0.70 -0.00 0.00 0.00 177.39 176.85 1r05 s GLU 12 N -1.51 2.86 0.13 1.47 2.12 -1.26 -4.89 118.70 117.62 1r05 s GLU 12 Ca 0.00 -2.70 0.02 0.00 0.36 0.00 0.00 54.97 52.65 1r05 s GLU 12 Cb 0.00 -3.87 -0.14 0.00 0.26 0.00 0.00 34.13 30.37 1r05 s GLU 12 CO 0.00 -1.21 1.28 0.00 -0.54 0.00 0.00 175.26 174.79 1r05 h ARG 13 N 6.88 0.14 0.00 4.30 3.08 -1.97 -3.48 114.38 123.34 1r05 h ARG 13 Ca 0.04 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1r05 h ARG 13 Cb 0.93 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1r05 h ARG 13 CO 0.75 1.03 0.00 1.17 -1.07 0.00 0.00 179.97 181.85 1r05 n LYS 14 N -3.52 0.00 -1.92 0.04 3.00 -1.26 -2.57 118.16 111.92 1r05 n LYS 14 Ca -0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.94 1r05 n LYS 14 Cb 0.91 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.97 1r05 n LYS 14 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1r05 n ARG 15 N 8.86 3.04 -3.05 1.64 0.00 -1.26 -4.69 116.66 121.21 1r05 n ARG 15 Ca 0.00 -3.80 -0.15 0.00 -0.00 0.00 0.00 57.85 53.89 1r05 n ARG 15 Cb 0.00 -2.27 0.00 0.00 -0.00 0.00 0.00 32.46 30.19 1r05 n ARG 15 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1r05 n ARG 16 N -0.65 1.00 0.00 2.89 1.85 -1.06 -4.88 116.66 115.82 1r05 n ARG 16 Ca 0.51 -3.08 0.00 0.00 -1.00 0.00 0.00 57.85 54.28 1r05 n ARG 16 Cb 0.56 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 1r05 n ARG 16 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1r05 n ASP 17 N 0.24 0.00 0.20 2.89 2.03 -1.26 -4.99 116.55 115.66 1r05 n ASP 17 Ca 0.19 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.42 1r05 n ASP 17 Cb 0.69 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.05 1r05 n ASP 17 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1r05 h HIS 18 N 0.00 -0.48 -0.64 -0.67 3.86 -1.87 -2.83 115.15 112.51 1r05 h HIS 18 Ca 0.00 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.32 1r05 h HIS 18 Cb 0.00 0.16 -0.09 0.00 1.06 0.00 0.00 27.41 28.54 1r05 h HIS 18 CO 0.00 -0.30 0.15 -0.84 0.86 0.00 0.00 177.93 177.80 1r05 h ILE 19 N -0.56 0.62 -0.89 2.45 3.07 -1.95 -1.80 117.51 118.45 1r05 h ILE 19 Ca -0.05 -0.09 0.09 0.00 1.55 0.00 0.00 64.86 66.35 1r05 h ILE 19 Cb 0.40 0.31 -0.12 0.00 -0.27 0.00 0.00 36.82 37.15 1r05 h ILE 19 CO 0.09 0.05 -0.57 0.11 -1.05 0.00 0.00 178.15 176.78 1r05 h LYS 20 N 0.28 -0.07 -0.85 0.16 1.57 -1.93 2.68 116.57 118.41 1r05 h LYS 20 Ca 0.34 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 59.34 1r05 h LYS 20 Cb 0.53 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.71 1r05 h LYS 20 CO -0.43 -0.05 0.08 -0.44 -0.57 0.00 0.00 179.45 178.05 1r05 h ASP 21 N -0.07 -0.27 -0.08 0.86 3.32 -1.07 0.30 116.42 119.41 1r05 h ASP 21 Ca 0.16 0.22 -0.04 0.00 0.02 0.00 0.00 57.03 57.38 1r05 h ASP 21 Cb 0.46 0.35 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 1r05 h ASP 21 CO -0.88 -0.21 -0.11 -1.28 -1.72 0.00 0.00 179.24 175.04 1r05 h SER 22 N 0.12 0.23 -0.15 6.45 0.87 0.16 -2.99 113.55 118.24 1r05 h SER 22 Ca 0.50 -0.53 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1r05 h SER 22 Cb 0.96 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.83 1r05 h SER 22 CO -0.72 0.71 -0.15 -0.26 -0.53 0.00 0.00 176.83 175.89 1r05 h PHE 23 N -0.24 -0.45 -0.97 2.24 0.04 0.76 1.56 116.94 119.88 1r05 h PHE 23 Ca 0.01 0.02 0.15 0.00 2.80 0.00 0.00 57.97 60.95 1r05 h PHE 23 Cb 0.66 0.22 -0.16 0.00 2.20 0.00 0.00 35.95 38.88 1r05 h PHE 23 CO 0.10 -0.12 -0.39 0.45 -0.60 0.00 0.00 178.31 177.75 1r05 h HIS 24 N -0.07 -1.11 -0.70 -0.55 3.86 -0.99 2.16 115.15 117.75 1r05 h HIS 24 Ca 0.03 0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1r05 h HIS 24 Cb 0.14 0.62 -0.03 0.00 1.06 0.00 0.00 27.41 29.20 1r05 h HIS 24 CO -0.73 -0.40 0.36 1.03 0.86 0.00 0.00 177.93 179.04 1r05 h SER 25 N -0.01 0.88 0.06 2.45 0.87 -0.87 -1.38 113.55 115.56 1r05 h SER 25 Ca 0.33 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1r05 h SER 25 Cb 0.59 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1r05 h SER 25 CO -0.97 0.73 -0.03 -0.07 -0.53 0.00 0.00 176.83 175.97 1r05 h LEU 26 N 0.98 -0.07 -1.33 2.23 3.38 1.25 -2.79 115.31 118.97 1r05 h LEU 26 Ca 0.25 -0.42 0.23 0.00 0.09 0.00 0.00 57.88 58.02 1r05 h LEU 26 Cb 0.07 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.75 1r05 h LEU 26 CO -0.04 0.40 0.63 -0.09 0.09 0.00 0.00 178.44 179.44 1r05 h ARG 27 N -0.56 0.48 0.00 1.13 2.43 0.31 2.40 114.38 120.56 1r05 h ARG 27 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1r05 h ARG 27 Cb 0.49 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1r05 h ARG 27 CO 0.01 0.31 0.00 -0.44 -1.51 0.00 0.00 179.97 178.35 1r05 h ASP 28 N 0.49 0.00 0.60 -3.80 3.32 -1.05 -3.06 116.42 112.92 1r05 h ASP 28 Ca 0.55 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.57 1r05 h ASP 28 Cb 1.24 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.80 1r05 h ASP 28 CO -0.28 0.00 -0.29 0.28 -1.72 0.00 0.00 179.24 177.24 1r05 h SER 29 N 0.00 -0.68 -3.41 6.45 0.02 0.44 -3.38 113.55 112.98 1r05 h SER 29 Ca 0.00 0.02 -0.71 0.00 -0.84 0.00 0.00 61.79 60.26 1r05 h SER 29 Cb 0.34 0.18 -0.30 0.00 0.14 0.00 0.00 62.40 62.75 1r05 h SER 29 CO 0.00 -0.42 -0.47 -0.69 -1.14 0.00 0.00 176.83 174.12 1r05 s VAL 30 N -4.44 3.96 -0.09 2.27 1.01 -1.16 -5.05 120.40 116.91 1r05 s VAL 30 Ca -0.12 -1.69 -0.29 0.00 0.00 0.00 0.00 61.98 59.87 1r05 s VAL 30 Cb 0.01 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 1r05 s VAL 30 CO 0.35 -0.64 1.67 -2.16 0.00 0.00 0.00 175.10 174.32 1r05 s PRO 31 N 1.33 4.08 0.00 2.72 0.04 -1.25 -2.33 135.00 139.59 1r05 s PRO 31 Ca 0.05 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1r05 s PRO 31 Cb -0.24 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1r05 s PRO 31 CO -0.01 -0.97 0.00 0.43 0.04 0.00 0.00 177.00 176.50 1r05 n SER 32 N 7.51 0.00 -0.94 6.66 7.64 -1.26 -3.65 113.62 129.58 1r05 n SER 32 Ca 0.18 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.96 1r05 n SER 32 Cb 0.43 -0.92 -0.04 0.00 -1.01 0.00 0.00 64.21 62.66 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 -0.48 -3.97 -3.43 4.77 -0.98 -1.65 117.00 111.25 1r05 n LEU 33 Ca 0.00 0.25 -0.40 0.00 -0.03 0.00 0.00 56.01 55.83 1r05 n LEU 33 Cb 0.00 -2.15 0.02 0.00 -2.33 0.00 0.00 43.42 38.95 1r05 n LEU 33 CO 0.00 -0.78 -0.18 1.67 -1.33 0.00 0.00 177.39 176.77 1r05 n GLN 34 N -1.06 -0.64 0.00 3.23 -0.06 -1.24 -3.33 117.38 114.27 1r05 n GLN 34 Ca -0.10 0.29 0.00 0.00 -2.00 0.00 0.00 57.00 55.19 1r05 n GLN 34 Cb 0.46 -2.56 0.00 0.00 -4.06 0.00 0.00 30.24 24.07 1r05 n GLN 34 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1r05 n GLY 35 N -1.95 1.69 2.05 1.69 0.00 -1.10 -5.08 105.19 102.49 1r05 n GLY 35 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 1r05 n GLY 35 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1r05 n GLU 36 N -0.71 0.00 0.00 1.61 0.00 -0.66 -4.83 120.64 116.05 1r05 n GLU 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1r05 n GLU 36 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 31.44 30.76 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 1.63 0.00 0.00 3.44 2.85 -1.26 -5.07 118.16 119.75 1r05 n LYS 37 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1r05 n LYS 37 Cb 0.37 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.75 1r05 n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1r05 n ALA 38 N 0.00 0.00 0.00 0.58 0.00 -1.26 -4.96 120.51 114.86 1r05 n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1r05 n ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 0.00 0.00 3.41 -1.26 -4.94 113.62 110.83 1r05 n SER 39 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1r05 n SER 39 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1r05 n SER 39 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1r05 n ARG 40 N -0.81 0.00 0.10 4.33 0.00 -1.26 0.26 116.66 119.28 1r05 n ARG 40 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.69 1r05 n ARG 40 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.35 1r05 n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1r05 h ALA 41 N -0.09 0.16 0.00 5.13 0.00 -2.02 -3.47 119.26 118.97 1r05 h ALA 41 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1r05 h ALA 41 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1r05 h ALA 41 CO 0.00 0.92 0.00 1.04 0.00 0.00 0.00 179.25 181.21 1r05 n GLN 42 N -3.60 0.00 0.22 0.00 6.02 0.73 -4.72 117.38 116.03 1r05 n GLN 42 Ca -0.08 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.03 1r05 n GLN 42 Cb 0.98 -1.71 0.21 0.00 1.02 0.00 0.00 30.24 30.74 1r05 n GLN 42 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1r05 h ILE 43 N 0.00 0.05 -0.10 5.09 5.03 -1.90 -3.15 117.51 122.53 1r05 h ILE 43 Ca 0.00 -1.03 -0.03 0.00 -0.12 0.00 0.00 64.86 63.68 1r05 h ILE 43 Cb 0.00 1.98 -0.00 0.00 -3.03 0.00 0.00 36.82 35.77 1r05 h ILE 43 CO 0.00 0.03 -0.07 -0.07 -0.68 0.00 0.00 178.15 177.36 1r05 h LEU 44 N 0.00 0.24 -0.48 1.44 4.07 -1.90 2.27 115.31 120.95 1r05 h LEU 44 Ca -0.00 -0.44 0.09 0.00 0.08 0.00 0.00 57.88 57.61 1r05 h LEU 44 Cb 0.98 -0.07 -0.08 0.00 1.08 0.00 0.00 40.66 42.57 1r05 h LEU 44 CO 0.00 0.63 -0.02 0.44 -1.08 0.00 0.00 178.44 178.42 1r05 h ASP 45 N -0.15 -0.24 -0.03 -0.43 3.32 -1.91 0.18 116.42 117.16 1r05 h ASP 45 Ca 0.02 0.12 -0.25 0.00 0.02 0.00 0.00 57.03 56.94 1r05 h ASP 45 Cb 0.55 0.22 0.02 0.00 0.22 0.00 0.00 39.33 40.33 1r05 h ASP 45 CO 0.02 -0.08 -0.95 0.50 -1.72 0.00 0.00 179.24 177.01 1r05 h LYS 46 N 0.10 0.69 -0.60 3.56 3.11 -1.49 -2.88 116.57 119.06 1r05 h LYS 46 Ca 0.24 -0.70 0.12 0.00 -2.81 0.00 0.00 60.65 57.50 1r05 h LYS 46 Cb 0.36 0.19 -0.10 0.00 -1.00 0.00 0.00 32.23 31.69 1r05 h LYS 46 CO -0.41 1.29 0.05 0.00 -2.81 0.00 0.00 179.45 177.57 1r05 h ALA 47 N 0.42 0.64 -0.38 5.00 0.00 0.48 0.41 119.26 125.82 1r05 h ALA 47 Ca -0.11 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1r05 h ALA 47 Cb 1.60 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1r05 h ALA 47 CO 0.19 -0.36 0.05 1.15 0.00 0.00 0.00 179.25 180.27 1r05 h THR 48 N 0.17 1.25 0.61 0.00 2.02 -0.73 -1.71 112.91 114.51 1r05 h THR 48 Ca 0.31 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 1r05 h THR 48 Cb 0.49 1.08 0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1r05 h THR 48 CO -0.47 0.30 -0.29 -0.33 0.37 0.00 0.00 175.52 175.10 1r05 h GLU 49 N 0.49 -0.79 0.14 6.66 4.39 -0.93 -1.69 114.58 122.85 1r05 h GLU 49 Ca 0.11 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1r05 h GLU 49 Cb 0.39 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1r05 h GLU 49 CO 0.01 -0.49 -0.28 1.88 -1.16 0.00 0.00 179.01 178.97 1r05 h TYR 50 N -0.93 -0.80 -0.98 4.33 -1.99 -0.26 0.82 116.97 117.16 1r05 h TYR 50 Ca -0.08 0.02 0.35 0.00 2.00 0.00 0.00 58.73 61.01 1r05 h TYR 50 Cb 0.66 0.33 -0.17 0.00 2.00 0.00 0.00 36.73 39.56 1r05 h TYR 50 CO -0.01 -0.34 0.42 0.82 -0.00 0.00 0.00 178.16 179.05 1r05 h ILE 51 N -0.45 0.12 0.00 -2.88 2.04 -1.35 1.07 117.51 116.05 1r05 h ILE 51 Ca -0.01 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1r05 h ILE 51 Cb 0.43 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1r05 h ILE 51 CO -0.11 0.02 0.00 1.67 0.00 0.00 0.00 178.15 179.73 1r05 n GLN 52 N -5.24 0.00 -0.29 2.37 7.27 -0.57 -1.57 117.38 119.34 1r05 n GLN 52 Ca 0.32 0.34 0.10 0.00 0.07 0.00 0.00 57.00 57.83 1r05 n GLN 52 Cb 1.05 -0.84 0.23 0.00 2.41 0.00 0.00 30.24 33.09 1r05 n GLN 52 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 1r05 h TYR 53 N 0.00 0.09 0.36 3.69 3.20 0.81 -1.23 116.97 123.89 1r05 h TYR 53 Ca 0.00 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1r05 h TYR 53 Cb 0.00 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1r05 h TYR 53 CO 0.00 -0.27 -0.17 1.98 -1.64 0.00 0.00 178.16 178.06 1r05 h MET 54 N 0.12 -0.46 0.00 1.82 4.05 0.11 -2.52 114.93 118.05 1r05 h MET 54 Ca 0.51 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.96 1r05 h MET 54 Cb 0.98 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.88 1r05 h MET 54 CO -0.72 -0.15 0.00 -2.13 0.23 0.00 0.00 176.91 174.14 1r05 n ARG 55 N -5.17 0.00 -0.14 0.39 0.63 -0.51 0.67 116.66 112.54 1r05 n ARG 55 Ca -0.10 0.90 0.28 0.00 -0.92 0.00 0.00 57.85 58.01 1r05 n ARG 55 Cb 0.27 -1.44 0.72 0.00 0.45 0.00 0.00 32.46 32.46 1r05 n ARG 55 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1r05 h ARG 56 N 0.00 0.00 -0.27 -0.14 2.43 -1.55 0.17 114.38 115.02 1r05 h ARG 56 Ca 0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 1r05 h ARG 56 Cb 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1r05 h ARG 56 CO 0.00 0.00 -0.54 0.87 -1.51 0.00 0.00 179.97 178.79 1r05 h LYS 57 N 0.00 0.81 -0.22 0.20 1.79 0.71 -2.81 116.57 117.06 1r05 h LYS 57 Ca 0.39 -0.51 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 1r05 h LYS 57 Cb 1.69 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 32.39 1r05 h LYS 57 CO -0.00 1.14 0.03 0.28 -1.08 0.00 0.00 179.45 179.82 1r05 h VAL 58 N 0.63 1.23 0.65 0.50 2.07 0.25 -1.63 116.25 119.96 1r05 h VAL 58 Ca 0.02 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 1r05 h VAL 58 Cb 1.14 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1r05 h VAL 58 CO 0.12 0.24 -0.48 0.45 0.02 0.00 0.00 177.57 177.92 1r05 h HIS 59 N 0.16 -1.29 0.20 1.57 3.86 -1.49 -0.98 115.15 117.18 1r05 h HIS 59 Ca 0.07 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1r05 h HIS 59 Cb 0.34 0.48 -0.04 0.00 1.06 0.00 0.00 27.41 29.25 1r05 h HIS 59 CO 0.02 -0.68 -0.48 1.15 0.86 0.00 0.00 177.93 178.81 1r05 h THR 60 N -1.08 0.00 -0.91 2.45 2.02 -1.54 -1.62 112.91 112.24 1r05 h THR 60 Ca -0.09 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.33 1r05 h THR 60 Cb 0.89 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.14 1r05 h THR 60 CO 0.04 0.00 0.02 -0.07 0.37 0.00 0.00 175.52 175.88 1r05 h LEU 61 N -0.75 -0.42 -0.26 2.58 3.38 -1.25 0.25 115.31 118.83 1r05 h LEU 61 Ca -0.02 0.25 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1r05 h LEU 61 Cb 0.72 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 1r05 h LEU 61 CO -0.21 -0.28 0.07 -0.61 0.09 0.00 0.00 178.44 177.51 1r05 h GLN 62 N 0.06 0.18 -0.97 1.13 -0.00 -0.26 -1.54 115.11 113.71 1r05 h GLN 62 Ca 0.53 -0.01 0.23 0.00 -0.00 0.00 0.00 58.65 59.40 1r05 h GLN 62 Cb 1.03 -0.04 -0.08 0.00 0.00 0.00 0.00 27.48 28.39 1r05 h GLN 62 CO -0.82 0.12 0.64 1.96 0.00 0.00 0.00 178.83 180.72 1r05 h GLN 63 N 0.18 0.38 0.00 1.69 7.50 0.27 0.75 115.11 125.87 1r05 h GLN 63 Ca 0.12 -0.02 -0.03 0.00 0.50 0.00 0.00 58.65 59.22 1r05 h GLN 63 Cb 0.10 -0.09 -0.00 0.00 0.05 0.00 0.00 27.48 27.54 1r05 h GLN 63 CO -0.14 0.25 -0.12 0.22 -1.50 0.00 0.00 178.83 177.54 1r05 h ASP 64 N 0.39 0.00 0.06 1.46 3.58 -0.97 -2.82 116.42 118.11 1r05 h ASP 64 Ca 0.52 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.81 1r05 h ASP 64 Cb 1.34 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.38 1r05 h ASP 64 CO -0.21 0.12 -0.79 0.40 -2.88 0.00 0.00 179.24 175.88 1r05 h ILE 65 N 0.00 1.36 -0.59 2.25 2.04 0.71 -2.89 117.51 120.38 1r05 h ILE 65 Ca -0.00 -2.37 0.06 0.00 1.00 0.00 0.00 64.86 63.55 1r05 h ILE 65 Cb 0.72 2.94 -0.05 0.00 -0.74 0.00 0.00 36.82 39.69 1r05 h ILE 65 CO 0.02 0.60 0.30 -0.78 0.00 0.00 0.00 178.15 178.28 1r05 h ASP 66 N -0.69 0.43 0.47 1.72 3.58 -1.27 0.75 116.42 121.41 1r05 h ASP 66 Ca -0.18 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.28 1r05 h ASP 66 Cb 1.39 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.40 1r05 h ASP 66 CO 0.00 0.28 -0.23 -0.78 -2.88 0.00 0.00 179.24 175.64 1r05 h ASP 67 N 0.57 -0.54 -0.54 2.28 1.82 -1.63 -2.57 116.42 115.81 1r05 h ASP 67 Ca 0.27 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1r05 h ASP 67 Cb 0.19 0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.31 1r05 h ASP 67 CO -0.19 -0.27 0.35 -0.07 -1.61 0.00 0.00 179.24 177.45 1r05 h LEU 68 N -0.79 0.63 -0.36 2.28 3.38 -1.27 -2.44 115.31 116.73 1r05 h LEU 68 Ca -0.06 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 57.95 1r05 h LEU 68 Cb 0.56 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.06 1r05 h LEU 68 CO 0.11 0.47 -0.32 0.50 0.09 0.00 0.00 178.44 179.29 1r05 h LYS 69 N 0.73 -0.25 -0.94 1.13 3.64 0.59 -0.68 116.57 120.78 1r05 h LYS 69 Ca 0.20 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1r05 h LYS 69 Cb -0.07 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1r05 h LYS 69 CO -0.04 -0.17 0.60 -0.09 -2.27 0.00 0.00 179.45 177.48 1r05 h ARG 70 N -0.26 1.25 0.00 1.90 9.65 -1.26 -2.79 114.38 122.86 1r05 h ARG 70 Ca 0.16 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1r05 h ARG 70 Cb 0.53 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1r05 h ARG 70 CO -0.51 0.84 0.00 1.04 2.80 0.00 0.00 179.97 184.15 1r05 n GLN 71 N -4.41 0.00 -0.63 0.20 1.13 -0.28 -1.29 117.38 112.11 1r05 n GLN 71 Ca 0.11 0.21 0.49 0.00 -1.94 0.00 0.00 57.00 55.87 1r05 n GLN 71 Cb 0.03 -0.92 0.76 0.00 0.11 0.00 0.00 30.24 30.22 1r05 n GLN 71 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 1r05 h ASN 72 N 0.00 0.00 0.51 1.08 -0.73 -1.58 0.64 115.58 115.50 1r05 h ASN 72 Ca 0.00 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.15 1r05 h ASN 72 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1r05 h ASN 72 CO 0.00 0.00 -0.26 0.00 -0.37 0.00 0.00 177.43 176.80 1r05 h ALA 73 N 0.93 -1.18 0.00 1.57 0.00 -0.90 -0.53 119.26 119.15 1r05 h ALA 73 Ca 0.87 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.51 1r05 h ALA 73 Cb 3.64 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 21.71 1r05 h ALA 73 CO -0.01 -1.13 -0.53 1.37 0.00 0.00 0.00 179.25 178.95 1r05 h LEU 74 N -0.71 0.00 -0.21 0.00 8.10 -0.25 -2.85 115.31 119.41 1r05 h LEU 74 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.92 1r05 h LEU 74 Cb 0.55 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.76 1r05 h LEU 74 CO 0.11 0.53 0.14 -0.07 -4.11 0.00 0.00 178.44 175.03 1r05 h LEU 75 N 0.00 0.24 -0.56 0.17 3.38 0.23 -2.55 115.31 116.22 1r05 h LEU 75 Ca -0.01 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1r05 h LEU 75 Cb 1.28 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1r05 h LEU 75 CO 0.07 0.17 -0.65 -0.08 0.09 0.00 0.00 178.44 178.04 1r05 h GLU 76 N 0.28 0.30 0.00 1.13 4.81 -1.13 -1.83 114.58 118.14 1r05 h GLU 76 Ca 0.08 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1r05 h GLU 76 Cb -0.03 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1r05 h GLU 76 CO -0.02 0.84 0.05 1.04 -0.73 0.00 0.00 179.01 180.20 1r05 n GLN 77 N -3.86 0.13 -0.08 1.92 1.13 -0.98 -0.13 117.38 115.51 1r05 n GLN 77 Ca -0.03 0.63 -0.10 0.00 -1.94 0.00 0.00 57.00 55.56 1r05 n GLN 77 Cb 0.65 -2.00 -0.09 0.00 0.11 0.00 0.00 30.24 28.91 1r05 n GLN 77 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1r05 n GLN 78 N -2.24 0.85 0.24 -1.09 -0.06 -1.05 -2.77 117.38 111.26 1r05 n GLN 78 Ca -0.01 0.07 0.17 0.00 -2.00 0.00 0.00 57.00 55.22 1r05 n GLN 78 Cb 0.09 -1.35 0.76 0.00 -4.06 0.00 0.00 30.24 25.68 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 0.00 0.00 1.69 2.07 -0.42 0.29 116.25 119.88 1r05 h VAL 79 Ca -0.39 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 66.80 1r05 h VAL 79 Cb 1.68 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1r05 h VAL 79 CO -0.04 0.00 -1.64 -2.11 0.02 0.00 0.00 177.57 173.80 1r05 n ARG 80 N -2.77 1.28 -0.70 1.57 -4.01 0.81 -4.18 116.66 108.67 1r05 n ARG 80 Ca -0.00 -0.06 0.08 0.00 -1.04 0.00 0.00 57.85 56.83 1r05 n ARG 80 Cb 0.19 -1.28 0.36 0.00 -3.04 0.00 0.00 32.46 28.69 1r05 n ARG 80 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1r05 n ALA 81 N -2.15 3.37 -2.31 2.89 0.00 -1.05 -4.37 120.51 116.89 1r05 n ALA 81 Ca -0.10 -1.79 -0.04 0.00 0.00 0.00 0.00 53.44 51.51 1r05 n ALA 81 Cb 0.58 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 19.02 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 0.76 -0.77 0.00 0.00 -0.00 0.06 -4.94 117.00 112.12 1r05 n LEU 82 Ca 0.26 -2.44 -0.07 0.00 -0.00 0.00 0.00 56.01 53.75 1r05 n LEU 82 Cb 1.00 0.06 0.06 0.00 -0.00 0.00 0.00 43.42 44.54 1r05 n LEU 82 CO 0.26 1.43 0.16 1.21 -0.00 0.00 0.00 177.39 180.46 1r05 n GLU 83 N -0.47 -1.30 0.00 1.96 2.13 -1.26 -4.90 120.64 116.80 1r05 n GLU 83 Ca -0.19 -0.45 0.00 0.00 0.66 0.00 0.00 57.16 57.18 1r05 n GLU 83 Cb 0.81 -0.39 0.00 0.00 0.27 0.00 0.00 31.44 32.13 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 1.10 -0.98 3.77 8.31 0.00 -1.26 -4.96 105.19 111.17 1r05 n GLY 84 Ca 0.04 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 1r05 n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r05 s SER 85 N -4.00 6.72 -0.89 1.61 0.01 -1.26 -4.94 113.70 110.95 1r05 s SER 85 Ca 0.00 0.86 -0.29 0.00 1.31 0.00 0.00 55.95 57.82 1r05 s SER 85 Cb 0.00 -2.26 -0.19 0.00 0.21 0.00 0.00 66.02 63.78 1r05 s SER 85 CO 0.00 0.15 2.62 0.61 0.41 0.00 0.00 173.24 177.03 1r05 n GLY 86 N 2.66 -0.34 0.73 3.44 0.00 -1.26 -5.25 105.19 105.16 1r05 n GLY 86 Ca -0.10 1.01 0.09 0.00 0.00 0.00 0.00 46.02 47.02 1r05 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32