#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 -0.27 -1.51 -5.12 0.00 -1.26 -5.12 120.51 107.24 1r05 n ALA 2 Ca 0.00 -0.14 -0.53 0.00 0.00 0.00 0.00 53.44 52.77 1r05 n ALA 2 Cb 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 1r05 n ALA 2 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1r05 n ASP 3 N -0.89 0.29 -4.96 0.00 5.75 -1.26 -4.94 116.55 110.55 1r05 n ASP 3 Ca -0.01 1.14 -0.22 0.00 -0.01 0.00 0.00 54.79 55.70 1r05 n ASP 3 Cb 0.07 -1.04 0.04 0.00 -1.03 0.00 0.00 41.12 39.17 1r05 n ASP 3 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1r05 s LYS 4 N -0.25 2.49 0.00 0.11 -2.85 -1.26 -4.98 119.74 113.00 1r05 s LYS 4 Ca 0.80 -0.66 0.00 0.00 -1.00 0.00 0.00 55.97 55.11 1r05 s LYS 4 Cb -1.05 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 32.29 1r05 s LYS 4 CO 0.54 -0.81 0.00 -2.13 0.10 0.00 0.00 175.35 173.06 1r05 n ARG 5 N -2.46 0.00 0.00 1.78 0.63 -1.26 -5.14 116.66 110.21 1r05 n ARG 5 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1r05 n ARG 5 Cb 0.60 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.51 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 -1.36 0.00 -3.01 5.13 0.00 -1.26 -3.32 120.51 116.68 1r05 n ALA 6 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1r05 n ALA 6 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1r05 n ALA 6 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1r05 n HIS 7 N 3.82 3.61 -2.12 0.00 -0.00 -1.26 -5.00 115.22 114.28 1r05 n HIS 7 Ca 0.00 -3.69 -0.31 0.00 0.46 0.00 0.00 57.72 54.18 1r05 n HIS 7 Cb 0.00 -0.68 -0.04 0.00 -0.12 0.00 0.00 29.99 29.14 1r05 n HIS 7 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1r05 s HIS 8 N -3.32 1.87 0.00 1.57 3.76 -1.21 -4.52 115.29 113.43 1r05 s HIS 8 Ca 0.44 0.49 0.00 0.00 -0.15 0.00 0.00 55.06 55.83 1r05 s HIS 8 Cb 0.22 -4.14 0.00 0.00 1.11 0.00 0.00 32.58 29.76 1r05 s HIS 8 CO -0.09 -1.90 0.00 -1.71 -0.85 0.00 0.00 174.74 170.20 1r05 n ASN 9 N 13.04 0.29 0.00 1.40 2.85 -1.26 -5.04 115.26 126.54 1r05 n ASN 9 Ca 0.34 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.81 1r05 n ASN 9 Cb 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 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 -2.69 0.00 -1.00 5.20 0.00 -1.26 -5.10 120.51 115.66 1r05 n ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1r05 n ALA 10 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 0.03 0.00 0.00 4.32 -1.26 -4.97 117.00 115.12 1r05 n LEU 11 Ca 0.00 0.23 0.00 0.00 -0.02 0.00 0.00 56.01 56.22 1r05 n LEU 11 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1r05 n LEU 11 CO 0.00 0.00 0.00 -1.84 -1.22 0.00 0.00 177.39 174.33 1r05 n GLU 12 N -0.24 0.00 0.00 3.23 0.28 -1.26 -4.95 120.64 117.70 1r05 n GLU 12 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1r05 n GLU 12 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1r05 n GLU 12 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1r05 n ARG 13 N 0.00 0.00 0.00 3.44 0.63 -1.26 -3.41 116.66 116.06 1r05 n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1r05 n ARG 13 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1r05 n ARG 13 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1r05 n LYS 14 N 0.00 0.00 -2.78 -0.14 4.76 -1.26 -5.01 118.16 113.73 1r05 n LYS 14 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1r05 n LYS 14 Cb 0.00 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.26 1r05 n LYS 14 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1r05 n ARG 15 N 0.00 1.09 -0.08 1.97 1.85 -1.22 -4.94 116.66 115.33 1r05 n ARG 15 Ca 0.00 -2.34 -0.11 0.00 -1.00 0.00 0.00 57.85 54.40 1r05 n ARG 15 Cb 0.00 -0.84 -0.06 0.00 -1.05 0.00 0.00 32.46 30.51 1r05 n ARG 15 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1r05 h ARG 16 N 2.66 0.00 -0.35 2.89 2.43 -1.96 -3.38 114.38 116.67 1r05 h ARG 16 Ca -0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1r05 h ARG 16 Cb 1.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1r05 h ARG 16 CO 0.18 0.43 0.00 -3.47 -1.51 0.00 0.00 179.97 175.61 1r05 n ASP 17 N -4.58 2.62 0.19 -3.80 2.03 -1.26 -4.48 116.55 107.28 1r05 n ASP 17 Ca -0.15 -1.90 -0.10 0.00 0.52 0.00 0.00 54.79 53.16 1r05 n ASP 17 Cb 0.39 -0.23 -0.05 0.00 -0.72 0.00 0.00 41.12 40.51 1r05 n ASP 17 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1r05 h HIS 18 N 3.25 -0.75 0.00 -0.67 2.76 -1.92 -2.03 115.15 115.79 1r05 h HIS 18 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1r05 h HIS 18 Cb 0.72 0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.96 1r05 h HIS 18 CO 0.23 -0.38 0.00 -0.89 -1.30 0.00 0.00 177.93 175.58 1r05 n ILE 19 N -4.02 0.00 -0.14 6.26 2.08 -1.26 -1.33 119.36 120.94 1r05 n ILE 19 Ca -0.07 1.12 0.13 0.00 0.56 0.00 0.00 62.75 64.50 1r05 n ILE 19 Cb 0.26 -1.82 0.25 0.00 -0.75 0.00 0.00 39.64 37.59 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 -1.25 -0.03 0.30 0.38 5.02 -1.24 0.14 118.16 121.47 1r05 n LYS 20 Ca 0.00 0.62 -0.14 0.00 -2.02 0.00 0.00 58.31 56.77 1r05 n LYS 20 Cb 0.00 -1.10 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 1r05 n LYS 20 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1r05 h ASP 21 N 0.00 -0.91 -0.66 4.39 3.58 -0.43 0.40 116.42 122.80 1r05 h ASP 21 Ca 0.37 0.05 0.07 0.00 0.42 0.00 0.00 57.03 57.95 1r05 h ASP 21 Cb 0.96 0.27 -0.06 0.00 1.72 0.00 0.00 39.33 42.22 1r05 h ASP 21 CO -0.35 -0.53 0.33 0.28 -2.88 0.00 0.00 179.24 176.09 1r05 h SER 22 N -0.84 0.45 -0.44 2.28 0.02 0.15 -1.80 113.55 113.36 1r05 h SER 22 Ca -0.07 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1r05 h SER 22 Cb 0.68 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.11 1r05 h SER 22 CO 0.06 0.28 -0.51 -0.26 -1.14 0.00 0.00 176.83 175.26 1r05 h PHE 23 N 0.60 -1.57 -1.27 3.45 -1.00 -0.21 0.83 116.94 117.76 1r05 h PHE 23 Ca 0.31 0.08 0.45 0.00 2.81 0.00 0.00 57.97 61.62 1r05 h PHE 23 Cb 0.27 0.74 -0.15 0.00 3.61 0.00 0.00 35.95 40.43 1r05 h PHE 23 CO -0.10 -0.43 0.79 1.25 -1.61 0.00 0.00 178.31 178.21 1r05 h HIS 24 N -0.31 0.60 -0.73 -0.55 2.76 0.67 1.41 115.15 119.00 1r05 h HIS 24 Ca 0.08 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.24 1r05 h HIS 24 Cb 0.52 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.30 1r05 h HIS 24 CO -0.76 -0.31 0.32 1.03 -1.30 0.00 0.00 177.93 176.90 1r05 h SER 25 N 0.03 0.98 -0.03 3.26 0.87 0.85 -2.84 113.55 116.68 1r05 h SER 25 Ca 0.86 -0.16 -0.23 0.00 -1.23 0.00 0.00 61.79 61.04 1r05 h SER 25 Cb 2.62 -0.25 0.02 0.00 -0.44 0.00 0.00 62.40 64.34 1r05 h SER 25 CO -0.54 0.87 -0.87 -0.07 -0.53 0.00 0.00 176.83 175.69 1r05 h LEU 26 N 1.03 0.81 -0.82 2.23 4.07 0.22 -2.55 115.31 120.29 1r05 h LEU 26 Ca 0.25 -0.72 0.20 0.00 0.08 0.00 0.00 57.88 57.69 1r05 h LEU 26 Cb 0.17 -0.25 -0.14 0.00 1.08 0.00 0.00 40.66 41.53 1r05 h LEU 26 CO -0.02 1.43 0.13 -0.09 -1.08 0.00 0.00 178.44 178.80 1r05 h ARG 27 N 0.28 0.16 -0.63 1.13 2.43 -0.88 1.29 114.38 118.15 1r05 h ARG 27 Ca -0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1r05 h ARG 27 Cb 1.54 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 1r05 h ARG 27 CO 0.17 0.10 0.00 -0.40 -1.51 0.00 0.00 179.97 178.34 1r05 n ASP 28 N -5.28 4.03 -0.10 -3.80 5.68 -1.09 -4.30 116.55 111.69 1r05 n ASP 28 Ca 0.18 -2.39 -0.17 0.00 -0.50 0.00 0.00 54.79 51.90 1r05 n ASP 28 Cb 0.58 -0.53 -0.09 0.00 -1.14 0.00 0.00 41.12 39.95 1r05 n ASP 28 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1r05 n SER 29 N 0.86 1.85 -4.15 -1.12 2.88 0.44 -4.68 113.62 109.71 1r05 n SER 29 Ca 0.21 0.47 -0.39 0.00 -1.33 0.00 0.00 58.87 57.84 1r05 n SER 29 Cb 0.77 -0.93 -0.07 0.00 -0.75 0.00 0.00 64.21 63.23 1r05 n SER 29 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1r05 s VAL 30 N -2.35 4.28 -0.62 2.46 1.01 -1.08 -4.86 120.40 119.24 1r05 s VAL 30 Ca -0.26 -3.11 0.15 0.00 0.00 0.00 0.00 61.98 58.76 1r05 s VAL 30 Cb 0.05 -3.71 0.15 0.00 0.00 0.00 0.00 36.38 32.87 1r05 s VAL 30 CO 0.48 -0.96 1.47 -0.81 0.00 0.00 0.00 175.10 175.27 1r05 n PRO 31 N 3.26 0.09 -0.80 2.72 -0.04 -1.26 -0.81 135.00 138.17 1r05 n PRO 31 Ca 0.13 0.48 -0.07 0.00 -0.04 0.00 0.00 63.50 64.00 1r05 n PRO 31 Cb 0.39 -1.74 0.22 0.00 -0.04 0.00 0.00 33.50 32.33 1r05 n PRO 31 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1r05 n SER 32 N -1.92 4.03 -0.00 3.54 2.88 -1.26 -4.46 113.62 116.42 1r05 n SER 32 Ca 0.01 -2.95 0.22 0.00 -1.33 0.00 0.00 58.87 54.81 1r05 n SER 32 Cb 0.10 -0.70 0.56 0.00 -0.75 0.00 0.00 64.21 63.41 1r05 n SER 32 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1r05 h LEU 33 N 1.95 0.00 -2.98 2.46 -0.00 -1.38 -3.45 115.31 111.92 1r05 h LEU 33 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 1r05 h LEU 33 Cb 2.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.68 1r05 h LEU 33 CO 0.61 0.00 -0.00 1.67 -0.00 0.00 0.00 178.44 180.71 1r05 n GLN 34 N -3.33 -0.05 0.00 1.13 7.27 -1.26 -4.33 117.38 116.82 1r05 n GLN 34 Ca 0.13 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.74 1r05 n GLN 34 Cb 1.04 -1.64 0.00 0.00 2.41 0.00 0.00 30.24 32.04 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 -0.98 2.58 2.87 1.69 0.00 -1.26 -4.74 105.19 105.35 1r05 n GLY 35 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.76 -1.69 -0.44 1.61 0.28 -1.26 -4.68 120.64 113.69 1r05 n GLU 36 Ca 0.00 0.05 0.04 0.00 -0.16 0.00 0.00 57.16 57.09 1r05 n GLU 36 Cb 0.00 -3.49 0.20 0.00 1.43 0.00 0.00 31.44 29.58 1r05 n GLU 36 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1r05 n LYS 37 N -2.52 2.93 -1.61 3.44 0.00 -1.26 -4.93 118.16 114.21 1r05 n LYS 37 Ca 0.04 -1.57 -0.50 0.00 0.00 0.00 0.00 58.31 56.27 1r05 n LYS 37 Cb 0.36 -1.87 -0.06 0.00 0.00 0.00 0.00 35.03 33.46 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 0.32 0.80 -1.00 3.14 0.00 -1.26 -4.91 120.51 117.61 1r05 n ALA 38 Ca 0.14 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1r05 n ALA 38 Cb 0.72 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1r05 n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1r05 n SER 39 N 7.73 0.00 0.06 0.00 2.88 -1.26 -4.71 113.62 118.32 1r05 n SER 39 Ca 0.29 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1r05 n SER 39 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1r05 n SER 39 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1r05 n ARG 40 N -0.28 0.00 0.09 -1.46 5.12 -1.26 -4.79 116.66 114.08 1r05 n ARG 40 Ca 0.00 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.81 1r05 n ARG 40 Cb 0.00 -0.28 -0.10 0.00 -1.16 0.00 0.00 32.46 30.92 1r05 n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1r05 h ALA 41 N 0.00 0.29 -0.06 7.54 0.00 -2.01 -3.17 119.26 121.84 1r05 h ALA 41 Ca 0.00 -0.85 0.02 0.00 0.00 0.00 0.00 54.91 54.08 1r05 h ALA 41 Cb 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1r05 h ALA 41 CO 0.00 1.04 0.13 1.96 0.00 0.00 0.00 179.25 182.38 1r05 h GLN 42 N 0.06 0.00 0.00 0.00 1.08 -1.90 0.46 115.11 114.81 1r05 h GLN 42 Ca -0.07 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 1r05 h GLN 42 Cb 1.79 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.21 1r05 h GLN 42 CO 0.16 0.00 -0.16 0.82 -0.95 0.00 0.00 178.83 178.70 1r05 h ILE 43 N 0.00 0.94 0.08 2.54 2.04 -1.83 -2.79 117.51 118.50 1r05 h ILE 43 Ca 0.03 -0.58 -0.26 0.00 1.00 0.00 0.00 64.86 65.05 1r05 h ILE 43 Cb 0.29 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1r05 h ILE 43 CO -0.00 0.16 -1.35 -0.07 0.00 0.00 0.00 178.15 176.88 1r05 h LEU 44 N 0.00 0.28 -0.88 1.44 4.07 -0.29 -2.15 115.31 117.77 1r05 h LEU 44 Ca -0.00 -0.80 0.22 0.00 0.08 0.00 0.00 57.88 57.38 1r05 h LEU 44 Cb 0.31 -0.09 -0.16 0.00 1.08 0.00 0.00 40.66 41.80 1r05 h LEU 44 CO 0.02 1.58 -0.01 -0.78 -1.08 0.00 0.00 178.44 178.17 1r05 h ASP 45 N -0.46 -0.46 0.05 -0.43 1.82 -1.09 0.36 116.42 116.21 1r05 h ASP 45 Ca -0.31 0.24 -0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1r05 h ASP 45 Cb 1.64 0.43 0.00 0.00 0.68 0.00 0.00 39.33 42.08 1r05 h ASP 45 CO -0.00 -0.27 -0.03 0.11 -1.61 0.00 0.00 179.24 177.45 1r05 h LYS 46 N 0.06 -0.07 -0.79 0.28 1.79 -1.65 -2.87 116.57 113.32 1r05 h LYS 46 Ca 0.50 0.00 0.23 0.00 -2.18 0.00 0.00 60.65 59.21 1r05 h LYS 46 Cb 0.94 0.02 -0.15 0.00 -1.58 0.00 0.00 32.23 31.46 1r05 h LYS 46 CO -0.81 0.29 0.07 0.00 -1.08 0.00 0.00 179.45 177.91 1r05 n ALA 47 N -2.70 0.46 0.00 3.86 0.00 -0.58 0.21 120.51 121.76 1r05 n ALA 47 Ca -0.04 0.84 -0.13 0.00 0.00 0.00 0.00 53.44 54.11 1r05 n ALA 47 Cb 0.19 -0.64 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 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 1.29 -0.83 0.00 2.02 -0.41 -2.83 112.91 112.15 1r05 h THR 48 Ca 0.50 -1.20 0.24 0.00 0.77 0.00 0.00 66.41 66.73 1r05 h THR 48 Cb 1.09 2.07 -0.03 0.00 -1.74 0.00 0.00 68.15 69.54 1r05 h THR 48 CO -0.72 0.30 0.61 -0.33 0.37 0.00 0.00 175.52 175.74 1r05 h GLU 49 N -0.60 0.00 -0.02 6.66 5.08 -0.01 -0.38 114.58 125.31 1r05 h GLU 49 Ca -0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1r05 h GLU 49 Cb 0.53 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.79 1r05 h GLU 49 CO 0.01 0.00 -0.55 1.88 -1.00 0.00 0.00 179.01 179.35 1r05 h TYR 50 N 0.00 0.60 0.00 4.33 -1.99 -1.01 -2.82 116.97 116.08 1r05 h TYR 50 Ca 0.40 -0.31 0.00 0.00 2.00 0.00 0.00 58.73 60.81 1r05 h TYR 50 Cb 1.61 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 40.26 1r05 h TYR 50 CO 0.00 1.12 0.00 -0.89 -0.00 0.00 0.00 178.16 178.39 1r05 n ILE 51 N -4.24 0.00 -0.44 -2.88 5.41 -0.18 0.05 119.36 117.07 1r05 n ILE 51 Ca -0.10 1.11 0.36 0.00 1.00 0.00 0.00 62.75 65.13 1r05 n ILE 51 Cb 0.64 -2.05 0.66 0.00 -0.71 0.00 0.00 39.64 38.18 1r05 n ILE 51 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 176.55 176.61 1r05 h GLN 52 N 0.00 0.12 -0.13 0.38 3.07 -1.67 0.53 115.11 117.40 1r05 h GLN 52 Ca 0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 58.65 58.66 1r05 h GLN 52 Cb 0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 27.53 1r05 h GLN 52 CO 0.00 0.08 -0.19 -0.92 0.09 0.00 0.00 178.83 177.88 1r05 h TYR 53 N 0.12 0.45 0.20 0.06 3.20 -1.38 -2.83 116.97 116.79 1r05 h TYR 53 Ca 0.76 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 62.47 1r05 h TYR 53 Cb 2.50 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 40.68 1r05 h TYR 53 CO -0.00 0.80 -0.10 0.52 -1.64 0.00 0.00 178.16 177.75 1r05 h MET 54 N -0.04 -0.26 -0.88 1.82 2.86 0.39 -1.21 114.93 117.61 1r05 h MET 54 Ca 0.01 0.02 0.23 0.00 -2.06 0.00 0.00 59.70 57.90 1r05 h MET 54 Cb 0.76 0.06 -0.13 0.00 0.06 0.00 0.00 31.60 32.34 1r05 h MET 54 CO 0.04 0.09 0.29 -0.09 1.06 0.00 0.00 176.91 178.30 1r05 h ARG 55 N -0.65 0.26 0.30 1.72 2.43 -0.93 1.23 114.38 118.74 1r05 h ARG 55 Ca -0.03 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1r05 h ARG 55 Cb 0.47 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1r05 h ARG 55 CO 0.04 0.17 -0.14 -0.09 -1.51 0.00 0.00 179.97 178.44 1r05 h ARG 56 N 0.27 -0.39 -0.54 0.20 2.43 -1.41 -2.27 114.38 112.67 1r05 h ARG 56 Ca 0.55 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.77 1r05 h ARG 56 Cb 1.10 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 1r05 h ARG 56 CO -0.61 -0.05 0.33 -0.22 -1.51 0.00 0.00 179.97 177.91 1r05 h LYS 57 N -0.86 0.63 -0.15 0.20 3.64 -0.16 -2.34 116.57 117.53 1r05 h LYS 57 Ca -0.04 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1r05 h LYS 57 Cb 0.52 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 1r05 h LYS 57 CO 0.07 0.42 -0.16 0.28 -2.27 0.00 0.00 179.45 177.78 1r05 h VAL 58 N 0.65 0.56 -0.26 2.00 2.07 0.15 0.54 116.25 121.97 1r05 h VAL 58 Ca 0.21 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.79 1r05 h VAL 58 Cb 0.00 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 1r05 h VAL 58 CO -0.09 0.00 -0.15 -0.74 0.02 0.00 0.00 177.57 176.61 1r05 h HIS 59 N -0.19 -0.38 -0.02 1.57 -0.00 -1.05 0.42 115.15 115.49 1r05 h HIS 59 Ca 0.10 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.50 1r05 h HIS 59 Cb 0.34 0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 27.96 1r05 h HIS 59 CO -0.29 -0.23 0.01 1.79 -0.00 0.00 0.00 177.93 179.21 1r05 h THR 60 N -0.13 1.11 0.61 6.26 1.35 -0.87 -2.13 112.91 119.10 1r05 h THR 60 Ca 0.14 -0.31 -0.02 0.00 -0.55 0.00 0.00 66.41 65.67 1r05 h THR 60 Cb 0.34 1.29 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 1r05 h THR 60 CO -0.34 0.08 -0.51 -0.07 -0.25 0.00 0.00 175.52 174.44 1r05 h LEU 61 N -0.10 -1.35 -0.64 3.87 3.38 0.64 -2.43 115.31 118.67 1r05 h LEU 61 Ca 0.01 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1r05 h LEU 61 Cb 0.13 0.43 -0.10 0.00 0.09 0.00 0.00 40.66 41.20 1r05 h LEU 61 CO -0.00 -0.70 -0.50 -0.61 0.09 0.00 0.00 178.44 176.71 1r05 h GLN 62 N -1.09 -0.21 -1.30 1.13 5.75 -0.17 1.07 115.11 120.29 1r05 h GLN 62 Ca -0.08 0.01 0.38 0.00 -0.15 0.00 0.00 58.65 58.82 1r05 h GLN 62 Cb 0.92 0.05 -0.08 0.00 1.07 0.00 0.00 27.48 29.43 1r05 h GLN 62 CO -0.01 -0.14 0.89 0.37 -2.65 0.00 0.00 178.83 177.30 1r05 h GLN 63 N -0.22 0.11 0.00 1.69 5.75 -1.16 2.26 115.11 123.54 1r05 h GLN 63 Ca 0.15 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.61 1r05 h GLN 63 Cb 0.55 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 1r05 h GLN 63 CO -0.73 0.08 -0.17 0.22 -2.65 0.00 0.00 178.83 175.57 1r05 h ASP 64 N 0.12 0.00 0.04 -0.69 1.82 0.16 -2.41 116.42 115.47 1r05 h ASP 64 Ca 0.69 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 57.26 1r05 h ASP 64 Cb 2.38 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.40 1r05 h ASP 64 CO -0.18 0.17 -0.36 0.40 -1.61 0.00 0.00 179.24 177.67 1r05 h ILE 65 N 0.00 1.64 -0.81 2.25 2.04 0.47 -2.87 117.51 120.22 1r05 h ILE 65 Ca -0.00 -2.39 -0.03 0.00 1.00 0.00 0.00 64.86 63.43 1r05 h ILE 65 Cb 0.94 3.25 -0.04 0.00 -0.74 0.00 0.00 36.82 40.23 1r05 h ILE 65 CO 0.02 0.63 0.39 0.44 0.00 0.00 0.00 178.15 179.63 1r05 h ASP 66 N -0.80 1.06 0.26 1.72 5.19 -1.29 0.58 116.42 123.14 1r05 h ASP 66 Ca -0.07 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.19 1r05 h ASP 66 Cb 1.23 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.47 1r05 h ASP 66 CO 0.03 0.90 -0.13 -0.78 -3.12 0.00 0.00 179.24 176.15 1r05 h ASP 67 N 1.15 -0.30 -0.62 6.45 1.82 -1.54 -2.55 116.42 120.84 1r05 h ASP 67 Ca 0.28 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.93 1r05 h ASP 67 Cb 0.12 0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.18 1r05 h ASP 67 CO -0.04 -0.21 0.38 -0.07 -1.61 0.00 0.00 179.24 177.69 1r05 h LEU 68 N -0.35 0.74 -0.67 2.28 3.38 -1.29 -2.59 115.31 116.81 1r05 h LEU 68 Ca -0.04 -0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.01 1r05 h LEU 68 Cb 0.27 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 40.71 1r05 h LEU 68 CO 0.06 0.57 -0.21 0.50 0.09 0.00 0.00 178.44 179.45 1r05 h LYS 69 N 0.84 -0.03 -0.88 1.13 3.64 -0.58 0.31 116.57 120.99 1r05 h LYS 69 Ca 0.22 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1r05 h LYS 69 Cb -0.04 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1r05 h LYS 69 CO -0.04 -0.02 0.58 0.00 -2.27 0.00 0.00 179.45 177.70 1r05 h ARG 70 N -0.03 1.17 0.00 1.90 2.47 -1.08 -2.90 114.38 115.90 1r05 h ARG 70 Ca 0.31 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1r05 h ARG 70 Cb 0.52 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1r05 h ARG 70 CO -0.71 0.78 0.00 1.04 0.56 0.00 0.00 179.97 181.64 1r05 n GLN 71 N -4.40 0.00 -0.54 0.04 1.13 0.11 -0.63 117.38 113.09 1r05 n GLN 71 Ca 0.10 0.07 0.41 0.00 -1.94 0.00 0.00 57.00 55.64 1r05 n GLN 71 Cb 0.02 -0.93 0.64 0.00 0.11 0.00 0.00 30.24 30.08 1r05 n GLN 71 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1r05 n ASN 72 N -0.51 0.04 0.04 1.08 4.05 -1.06 0.26 115.26 119.18 1r05 n ASN 72 Ca 0.00 0.89 -0.15 0.00 0.45 0.00 0.00 54.58 55.77 1r05 n ASN 72 Cb 0.00 -0.44 -0.05 0.00 1.23 0.00 0.00 39.78 40.52 1r05 n ASN 72 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1r05 h ALA 73 N 0.93 0.35 0.23 5.20 0.00 -1.25 -2.87 119.26 121.85 1r05 h ALA 73 Ca 0.76 -0.67 -0.33 0.00 0.00 0.00 0.00 54.91 54.67 1r05 h ALA 73 Cb 2.91 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 20.72 1r05 h ALA 73 CO -0.10 0.76 -1.44 -0.07 0.00 0.00 0.00 179.25 178.40 1r05 h LEU 74 N 0.32 0.76 -0.65 0.00 4.07 0.61 -2.90 115.31 117.52 1r05 h LEU 74 Ca -0.08 -0.82 -0.04 0.00 0.08 0.00 0.00 57.88 57.03 1r05 h LEU 74 Cb 1.52 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.99 1r05 h LEU 74 CO 0.16 1.64 0.26 -0.07 -1.08 0.00 0.00 178.44 179.35 1r05 h LEU 75 N 0.13 0.90 -0.70 1.67 4.07 -1.21 -2.64 115.31 117.53 1r05 h LEU 75 Ca -0.23 -0.17 -0.10 0.00 0.08 0.00 0.00 57.88 57.45 1r05 h LEU 75 Cb 2.13 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 43.62 1r05 h LEU 75 CO 0.26 0.82 -0.11 -0.08 -1.08 0.00 0.00 178.44 178.26 1r05 h GLU 76 N 0.91 0.90 0.00 1.13 4.81 -1.60 -1.72 114.58 119.01 1r05 h GLU 76 Ca 0.22 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1r05 h GLU 76 Cb 0.21 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1r05 h GLU 76 CO -0.02 0.96 0.00 0.94 -0.73 0.00 0.00 179.01 180.16 1r05 n GLN 77 N -4.15 0.39 -0.12 1.92 -0.06 -1.03 -2.73 117.38 111.60 1r05 n GLN 77 Ca 0.01 0.06 -0.23 0.00 -2.00 0.00 0.00 57.00 54.85 1r05 n GLN 77 Cb 0.38 -1.50 -0.09 0.00 -4.06 0.00 0.00 30.24 24.97 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 -1.13 0.51 -0.25 3.69 -0.06 -0.73 -2.75 117.38 116.66 1r05 n GLN 78 Ca 0.10 0.20 0.30 0.00 -2.00 0.00 0.00 57.00 55.60 1r05 n GLN 78 Cb 0.09 -1.37 0.71 0.00 -4.06 0.00 0.00 30.24 25.61 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 -0.63 0.50 0.00 1.69 2.07 -1.21 0.73 116.25 119.40 1r05 h VAL 79 Ca -0.58 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1r05 h VAL 79 Cb 1.59 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1r05 h VAL 79 CO -0.29 0.01 -1.38 0.54 0.02 0.00 0.00 177.57 176.46 1r05 n ARG 80 N -4.28 0.28 0.18 1.57 1.74 -1.11 -2.81 116.66 112.24 1r05 n ARG 80 Ca 0.22 -0.08 -0.08 0.00 -0.77 0.00 0.00 57.85 57.15 1r05 n ARG 80 Cb 1.06 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.46 30.95 1r05 n ARG 80 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1r05 h ALA 81 N 2.57 -0.73 -3.00 7.54 0.00 0.66 -3.40 119.26 122.89 1r05 h ALA 81 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1r05 h ALA 81 Cb 0.72 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1r05 h ALA 81 CO 0.00 -0.70 0.00 1.47 0.00 0.00 0.00 179.25 180.02 1r05 n LEU 82 N -4.01 0.00 0.00 0.00 -0.00 -1.00 -4.73 117.00 107.26 1r05 n LEU 82 Ca -0.06 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.69 1r05 n LEU 82 Cb 0.20 0.00 0.19 0.00 -0.00 0.00 0.00 43.42 43.80 1r05 n LEU 82 CO 0.15 0.00 0.76 1.21 -0.00 0.00 0.00 177.39 179.51 1r05 n GLU 83 N 0.00 -1.32 0.06 1.47 2.13 -1.26 -4.96 120.64 116.76 1r05 n GLU 83 Ca 0.00 -1.81 -0.07 0.00 0.66 0.00 0.00 57.16 55.94 1r05 n GLU 83 Cb 0.00 -1.24 0.07 0.00 0.27 0.00 0.00 31.44 30.54 1r05 n GLU 83 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1r05 h GLY 84 N -1.64 0.37 -6.02 8.31 0.00 -1.85 -3.42 103.07 98.81 1r05 h GLY 84 Ca -0.38 -0.49 -0.19 0.00 0.00 0.00 0.00 47.33 46.27 1r05 h GLY 84 CO 0.27 0.43 -0.55 -0.56 0.00 0.00 0.00 176.54 176.13 1r05 s SER 85 N -6.93 -0.52 -0.02 0.19 0.01 -1.26 -4.85 113.70 100.32 1r05 s SER 85 Ca -0.05 -1.24 -0.00 0.00 1.31 0.00 0.00 55.95 55.97 1r05 s SER 85 Cb 0.11 1.40 0.00 0.00 0.21 0.00 0.00 66.02 67.75 1r05 s SER 85 CO 0.82 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.89 1r05 n GLY 86 N 4.14 -0.27 0.00 3.44 0.00 -1.12 -5.07 105.19 106.30 1r05 n GLY 86 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1r05 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32