#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab7 s LYS 2 N 0.00 2.74 0.14 1.97 0.00 -1.26 -1.17 119.74 122.16 1ab7 s LYS 2 Ca 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 55.97 54.87 1ab7 s LYS 2 Cb 0.00 -3.08 -0.06 0.00 0.00 0.00 0.00 37.83 34.69 1ab7 s LYS 2 CO 0.00 -0.47 0.38 0.00 0.00 0.00 0.00 175.35 175.26 1ab7 s ALA 3 N 1.32 3.78 -0.06 0.59 0.00 0.12 -4.86 121.76 122.65 1ab7 s ALA 3 Ca -0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 1ab7 s ALA 3 Cb -0.18 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 20.83 1ab7 s ALA 3 CO -0.03 0.66 0.01 0.08 0.00 0.00 0.00 175.76 176.48 1ab7 s VAL 4 N -1.65 0.29 -0.29 0.00 1.01 -1.26 -0.75 120.40 117.74 1ab7 s VAL 4 Ca 0.41 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 62.36 1ab7 s VAL 4 Cb -0.12 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 1ab7 s VAL 4 CO 0.24 0.23 0.48 -0.63 0.00 0.00 0.00 175.10 175.42 1ab7 s ILE 5 N 1.78 5.07 -0.46 2.22 -1.09 -0.39 -4.90 121.20 123.42 1ab7 s ILE 5 Ca 0.02 0.64 -0.05 0.00 -2.23 0.00 0.00 60.65 59.03 1ab7 s ILE 5 Cb -0.13 -3.84 0.12 0.00 -1.58 0.00 0.00 42.46 37.03 1ab7 s ILE 5 CO -0.04 0.00 0.28 0.20 -1.23 0.00 0.00 174.94 174.16 1ab7 s ASN 6 N 1.64 5.40 0.00 3.58 -0.87 -1.26 0.18 114.94 123.61 1ab7 s ASN 6 Ca 0.19 -2.12 0.17 0.00 -1.57 0.00 0.00 52.86 49.53 1ab7 s ASN 6 Cb -0.16 -1.89 0.87 0.00 -0.02 0.00 0.00 41.25 40.05 1ab7 s ASN 6 CO 0.11 -0.56 1.50 0.61 -2.57 0.00 0.00 177.10 176.18 1ab7 n GLY 7 N 4.52 -0.84 0.04 0.66 0.00 -1.25 -1.74 105.19 106.58 1ab7 n GLY 7 Ca -0.02 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.05 1ab7 n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ab7 n GLU 8 N -1.27 0.13 -0.00 1.61 2.13 -1.26 -3.86 120.64 118.11 1ab7 n GLU 8 Ca 0.08 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.98 1ab7 n GLU 8 Cb 0.13 -1.61 -0.01 0.00 0.27 0.00 0.00 31.44 30.22 1ab7 n GLU 8 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1ab7 n GLN 9 N -1.82 0.21 -2.35 5.31 7.27 -0.77 -4.93 117.38 120.30 1ab7 n GLN 9 Ca 0.05 -0.01 -0.41 0.00 0.07 0.00 0.00 57.00 56.71 1ab7 n GLN 9 Cb 0.38 -1.02 -0.03 0.00 2.41 0.00 0.00 30.24 31.98 1ab7 n GLN 9 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1ab7 s ILE 10 N -2.06 3.65 0.09 1.69 -1.09 -0.71 -4.84 121.20 117.92 1ab7 s ILE 10 Ca -0.00 0.46 -0.18 0.00 -2.23 0.00 0.00 60.65 58.70 1ab7 s ILE 10 Cb 0.01 -4.46 -0.08 0.00 -1.58 0.00 0.00 42.46 36.34 1ab7 s ILE 10 CO 0.04 -1.33 1.48 0.03 -1.23 0.00 0.00 174.94 173.93 1ab7 h ARG 11 N 11.73 0.52 -4.31 2.79 3.08 -1.91 -3.47 114.38 122.81 1ab7 h ARG 11 Ca -0.27 -0.20 -0.18 0.00 0.07 0.00 0.00 59.98 59.40 1ab7 h ARG 11 Cb 1.10 -0.03 -0.14 0.00 0.08 0.00 0.00 29.97 30.98 1ab7 h ARG 11 CO 1.22 0.73 -0.50 0.45 -1.07 0.00 0.00 179.97 180.80 1ab7 s SER 12 N -6.12 0.13 0.60 7.04 0.15 -1.26 -4.97 113.70 109.26 1ab7 s SER 12 Ca -0.13 -1.21 0.28 0.00 0.70 0.00 0.00 55.95 55.59 1ab7 s SER 12 Cb 0.08 0.40 1.33 0.00 -1.71 0.00 0.00 66.02 66.12 1ab7 s SER 12 CO 0.77 -0.87 1.73 -0.29 1.20 0.00 0.00 173.24 175.77 1ab7 h ILE 13 N 2.60 0.24 0.02 6.45 6.09 -1.89 0.55 117.51 131.57 1ab7 h ILE 13 Ca -0.34 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.17 1ab7 h ILE 13 Cb 1.24 0.44 -0.02 0.00 0.47 0.00 0.00 36.82 38.95 1ab7 h ILE 13 CO 0.51 0.00 -0.11 0.77 -3.07 0.00 0.00 178.15 176.25 1ab7 h SER 14 N 0.00 -0.31 0.56 2.19 4.64 -1.98 0.13 113.55 118.78 1ab7 h SER 14 Ca 0.29 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1ab7 h SER 14 Cb 1.67 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 1ab7 h SER 14 CO -0.00 -0.16 0.00 0.44 -0.87 0.00 0.00 176.83 176.24 1ab7 h ASP 15 N -0.20 0.00 0.45 4.97 3.32 -1.27 -2.63 116.42 121.06 1ab7 h ASP 15 Ca 0.03 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1ab7 h ASP 15 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1ab7 h ASP 15 CO -0.10 0.00 -0.22 0.25 -1.72 0.00 0.00 179.24 177.46 1ab7 h LEU 16 N 0.00 -0.51 -2.26 1.55 5.85 -0.85 0.08 115.31 119.17 1ab7 h LEU 16 Ca 0.00 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1ab7 h LEU 16 Cb 0.28 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1ab7 h LEU 16 CO 0.00 -0.17 0.24 0.45 -0.34 0.00 0.00 178.44 178.62 1ab7 h HIS 17 N -0.99 0.00 0.12 1.25 3.86 -1.21 0.31 115.15 118.48 1ab7 h HIS 17 Ca -0.06 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.87 1ab7 h HIS 17 Cb 0.46 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1ab7 h HIS 17 CO 0.02 0.00 -1.26 1.96 0.86 0.00 0.00 177.93 179.51 1ab7 h GLN 18 N 0.00 0.25 -0.12 2.45 4.20 -1.29 0.04 115.11 120.64 1ab7 h GLN 18 Ca 0.05 -0.42 -0.14 0.00 0.06 0.00 0.00 58.65 58.20 1ab7 h GLN 18 Cb 0.54 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1ab7 h GLN 18 CO -0.00 1.18 -0.52 1.15 -0.67 0.00 0.00 178.83 179.97 1ab7 h THR 19 N 0.07 1.35 0.14 -0.54 2.02 0.16 0.34 112.91 116.44 1ab7 h THR 19 Ca -0.14 -1.78 -0.29 0.00 0.77 0.00 0.00 66.41 64.97 1ab7 h THR 19 Cb 1.96 1.83 0.01 0.00 -1.74 0.00 0.00 68.15 70.21 1ab7 h THR 19 CO 0.19 0.54 -1.32 -0.07 0.37 0.00 0.00 175.52 175.23 1ab7 h LEU 20 N 0.26 0.45 -1.45 2.58 3.38 -1.28 -0.81 115.31 118.44 1ab7 h LEU 20 Ca 0.01 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 1ab7 h LEU 20 Cb 1.01 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1ab7 h LEU 20 CO 0.09 1.40 -0.11 0.50 0.09 0.00 0.00 178.44 180.41 1ab7 h LYS 21 N 0.08 0.00 0.05 1.13 3.64 -0.74 0.91 116.57 121.64 1ab7 h LYS 21 Ca -0.17 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.89 1ab7 h LYS 21 Cb 2.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.78 1ab7 h LYS 21 CO 0.20 0.11 -1.85 0.36 -2.27 0.00 0.00 179.45 176.00 1ab7 n LYS 22 N -3.30 0.69 -0.05 1.90 2.85 0.12 -1.67 118.16 118.70 1ab7 n LYS 22 Ca -0.00 0.28 -0.01 0.00 -1.05 0.00 0.00 58.31 57.52 1ab7 n LYS 22 Cb 0.34 -1.75 -0.01 0.00 -0.65 0.00 0.00 35.03 32.96 1ab7 n LYS 22 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1ab7 h GLU 23 N 0.03 0.00 0.00 -1.58 5.08 -0.95 -3.31 114.58 113.86 1ab7 h GLU 23 Ca -0.35 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.98 1ab7 h GLU 23 Cb 2.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.27 1ab7 h GLU 23 CO 0.08 0.08 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.97 1ab7 h LEU 24 N -1.00 0.00 -2.20 1.33 3.38 -1.04 -3.47 115.31 112.31 1ab7 h LEU 24 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1ab7 h LEU 24 Cb 0.10 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.89 1ab7 h LEU 24 CO -0.00 0.13 -0.17 0.00 0.09 0.00 0.00 178.44 178.50 1ab7 n ALA 25 N -2.35 -0.56 -1.56 1.53 0.00 -1.00 -4.82 120.51 111.74 1ab7 n ALA 25 Ca -0.02 -0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 1ab7 n ALA 25 Cb 0.23 -1.10 0.10 0.00 0.00 0.00 0.00 19.45 18.68 1ab7 n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ab7 s LEU 26 N -3.08 2.46 0.00 0.00 1.43 -0.67 -5.00 118.68 113.82 1ab7 s LEU 26 Ca 0.03 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.34 1ab7 s LEU 26 Cb -0.00 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1ab7 s LEU 26 CO 0.15 -2.10 0.00 -0.81 0.23 0.00 0.00 176.35 173.82 1ab7 n PRO 27 N -3.51 0.30 -0.05 1.29 -0.04 -1.26 -4.93 135.00 126.80 1ab7 n PRO 27 Ca 0.07 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.37 1ab7 n PRO 27 Cb 0.57 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.90 1ab7 n PRO 27 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ab7 h GLU 28 N 0.00 0.05 0.00 0.54 4.81 -2.00 -3.27 114.58 114.71 1ab7 h GLU 28 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1ab7 h GLU 28 Cb 0.00 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1ab7 h GLU 28 CO 0.00 1.04 0.00 2.48 -0.73 0.00 0.00 179.01 181.80 1ab7 n TYR 29 N -4.51 0.00 -0.65 0.92 4.11 -1.26 -4.79 117.16 110.98 1ab7 n TYR 29 Ca -0.12 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.48 1ab7 n TYR 29 Cb 0.55 -0.40 -0.06 0.00 -0.00 0.00 0.00 39.34 39.44 1ab7 n TYR 29 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.86 177.84 1ab7 n TYR 30 N -1.40 0.60 0.19 -3.48 9.36 -1.24 -4.66 117.16 116.54 1ab7 n TYR 30 Ca 0.02 0.40 0.02 0.00 3.32 0.00 0.00 57.90 61.66 1ab7 n TYR 30 Cb 0.05 -1.14 0.11 0.00 -0.63 0.00 0.00 39.34 37.73 1ab7 n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ab7 n GLY 31 N 3.59 -0.59 3.75 2.98 0.00 -1.26 -4.83 105.19 108.84 1ab7 n GLY 31 Ca 0.26 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 1ab7 n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ab7 n GLU 32 N -1.42 -4.93 -1.08 1.61 1.02 -1.26 -4.93 120.64 109.65 1ab7 n GLU 32 Ca 0.02 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1ab7 n GLU 32 Cb 0.05 -5.19 0.00 0.00 -0.02 0.00 0.00 31.44 26.28 1ab7 n GLU 32 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1ab7 n ASN 33 N -3.01 0.00 0.05 1.62 2.04 -1.26 -4.88 115.26 109.81 1ab7 n ASN 33 Ca -0.24 -0.84 0.13 0.00 -0.44 0.00 0.00 54.58 53.20 1ab7 n ASN 33 Cb 0.65 0.00 0.51 0.00 -2.53 0.00 0.00 39.78 38.41 1ab7 n ASN 33 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ab7 n LEU 34 N 0.00 0.39 -0.06 -4.53 -0.00 -1.26 -1.88 117.00 109.66 1ab7 n LEU 34 Ca 0.00 0.52 -0.03 0.00 -0.00 0.00 0.00 56.01 56.50 1ab7 n LEU 34 Cb 0.00 -0.41 -0.02 0.00 -0.00 0.00 0.00 43.42 42.99 1ab7 n LEU 34 CO 0.00 -0.08 0.03 -2.24 -0.00 0.00 0.00 177.39 175.10 1ab7 h ASP 35 N 0.00 0.00 0.95 1.45 2.03 -1.95 -1.86 116.42 117.04 1ab7 h ASP 35 Ca 0.00 -0.15 -0.11 0.00 -0.73 0.00 0.00 57.03 56.04 1ab7 h ASP 35 Cb 0.61 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.10 1ab7 h ASP 35 CO 0.00 0.60 -0.52 0.00 -1.03 0.00 0.00 179.24 178.30 1ab7 h ALA 36 N -0.85 0.85 0.14 4.15 0.00 -1.92 -0.04 119.26 121.59 1ab7 h ALA 36 Ca -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1ab7 h ALA 36 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ab7 h ALA 36 CO -0.00 0.65 -0.07 1.25 0.00 0.00 0.00 179.25 181.08 1ab7 h LEU 37 N 0.00 -0.16 -1.07 0.00 5.85 -1.52 0.34 115.31 118.75 1ab7 h LEU 37 Ca -0.01 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.37 1ab7 h LEU 37 Cb 1.13 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 1ab7 h LEU 37 CO 0.07 0.35 0.63 -0.25 -0.34 0.00 0.00 178.44 178.90 1ab7 h TRP 38 N -0.75 1.17 0.00 1.25 2.91 -1.33 0.43 115.95 119.63 1ab7 h TRP 38 Ca -0.02 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.99 1ab7 h TRP 38 Cb 0.53 -0.39 -0.01 0.00 -0.51 0.00 0.00 29.16 28.78 1ab7 h TRP 38 CO 0.08 0.69 -0.18 -0.44 -1.03 0.00 0.00 178.44 177.56 1ab7 h ASP 39 N 1.22 0.00 0.00 2.65 3.32 -0.85 -1.28 116.42 121.49 1ab7 h ASP 39 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1ab7 h ASP 39 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1ab7 h ASP 39 CO -0.11 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 177.59 1ab7 n ALA 40 N -2.46 0.00 -0.33 3.45 0.00 0.12 -3.62 120.51 117.67 1ab7 n ALA 40 Ca -0.02 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.41 1ab7 n ALA 40 Cb 0.25 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.76 1ab7 n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ab7 n LEU 41 N -1.84 -0.49 -2.08 0.00 4.77 0.98 0.22 117.00 118.56 1ab7 n LEU 41 Ca 0.00 1.50 -0.15 0.00 -0.03 0.00 0.00 56.01 57.32 1ab7 n LEU 41 Cb 0.00 -0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 40.61 1ab7 n LEU 41 CO 0.00 -1.37 1.51 0.35 -1.33 0.00 0.00 177.39 176.55 1ab7 n THR 42 N -5.31 2.96 0.00 -5.08 -2.24 -0.48 -4.01 114.28 100.12 1ab7 n THR 42 Ca 0.10 -1.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.05 1ab7 n THR 42 Cb 0.37 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 66.82 1ab7 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ab7 n GLY 43 N 1.75 0.00 0.51 3.38 0.00 0.35 -4.86 105.19 106.33 1ab7 n GLY 43 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1ab7 n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1ab7 n TRP 44 N 0.00 -0.64 -1.74 1.61 -0.00 0.59 -4.71 117.44 112.56 1ab7 n TRP 44 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.21 1ab7 n TRP 44 Cb 0.00 0.13 0.09 0.00 -0.00 0.00 0.00 31.31 31.53 1ab7 n TRP 44 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1ab7 s VAL 45 N -1.44 2.60 -0.09 5.87 1.01 -1.09 -4.94 120.40 122.32 1ab7 s VAL 45 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1ab7 s VAL 45 Cb 0.00 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1ab7 s VAL 45 CO 0.00 -0.25 -0.10 -1.61 0.00 0.00 0.00 175.10 173.14 1ab7 s GLU 46 N -5.36 2.91 0.27 2.72 0.41 -1.26 -4.95 118.70 113.44 1ab7 s GLU 46 Ca 0.61 -0.62 0.10 0.00 -0.41 0.00 0.00 54.97 54.66 1ab7 s GLU 46 Cb -0.13 -2.57 -0.05 0.00 -1.78 0.00 0.00 34.13 29.61 1ab7 s GLU 46 CO 0.52 0.51 -0.08 0.71 -0.49 0.00 0.00 175.26 176.43 1ab7 s TYR 47 N -0.41 2.54 0.31 1.61 2.02 -1.26 -3.11 117.35 119.05 1ab7 s TYR 47 Ca 0.05 -0.26 -0.29 0.00 -0.37 0.00 0.00 57.07 56.20 1ab7 s TYR 47 Cb -0.12 -1.12 -0.10 0.00 -0.40 0.00 0.00 41.96 40.22 1ab7 s TYR 47 CO 0.02 0.66 1.17 -1.25 -1.57 0.00 0.00 175.55 174.58 1ab7 s PRO 48 N -3.61 4.50 0.26 -1.71 0.04 -1.26 -4.84 135.00 128.38 1ab7 s PRO 48 Ca 0.31 1.94 0.09 0.00 0.04 0.00 0.00 61.00 63.39 1ab7 s PRO 48 Cb -0.06 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1ab7 s PRO 48 CO 0.18 0.04 0.00 -1.17 0.04 0.00 0.00 177.00 176.10 1ab7 s LEU 49 N -1.64 3.22 -0.32 -3.56 2.96 -0.43 -2.95 118.68 115.97 1ab7 s LEU 49 Ca 0.47 -0.63 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1ab7 s LEU 49 Cb -0.34 -1.74 0.09 0.00 0.50 0.00 0.00 46.19 44.69 1ab7 s LEU 49 CO 0.45 0.00 0.00 -0.69 -1.32 0.00 0.00 176.35 174.79 1ab7 s VAL 50 N -2.31 2.29 -1.34 1.68 1.01 -0.32 -1.01 120.40 120.40 1ab7 s VAL 50 Ca 0.31 -2.09 -0.11 0.00 0.00 0.00 0.00 61.98 60.10 1ab7 s VAL 50 Cb -0.06 -2.58 0.12 0.00 0.00 0.00 0.00 36.38 33.86 1ab7 s VAL 50 CO 0.20 -0.41 2.02 -0.11 0.00 0.00 0.00 175.10 176.80 1ab7 n LEU 51 N 4.33 6.80 -4.57 3.92 7.94 -0.48 0.11 117.00 135.05 1ab7 n LEU 51 Ca -0.02 -4.50 -0.25 0.00 -1.11 0.00 0.00 56.01 50.12 1ab7 n LEU 51 Cb 0.42 -1.53 -0.06 0.00 0.53 0.00 0.00 43.42 42.78 1ab7 n LEU 51 CO 0.22 1.34 1.39 -0.70 -1.11 0.00 0.00 177.39 178.52 1ab7 s GLU 52 N 1.19 2.29 -0.88 1.96 2.12 0.07 -1.60 118.70 123.84 1ab7 s GLU 52 Ca 0.43 -0.71 -0.25 0.00 0.36 0.00 0.00 54.97 54.80 1ab7 s GLU 52 Cb 0.11 -5.13 0.01 0.00 0.26 0.00 0.00 34.13 29.39 1ab7 s GLU 52 CO -0.03 -4.02 1.60 -0.46 -0.54 0.00 0.00 175.26 171.81 1ab7 s TRP 53 N 11.73 2.18 0.00 5.30 -0.11 -0.74 -1.27 118.94 136.04 1ab7 s TRP 53 Ca 0.72 -0.10 0.00 0.00 1.22 0.00 0.00 56.10 57.94 1ab7 s TRP 53 Cb -0.04 -4.44 0.00 0.00 -1.50 0.00 0.00 33.47 27.49 1ab7 s TRP 53 CO 0.09 -1.96 0.16 0.54 -4.62 0.00 0.00 176.95 171.16 1ab7 n ARG 54 N 9.01 0.00 -3.06 5.86 1.74 0.13 -4.05 116.66 126.29 1ab7 n ARG 54 Ca 0.27 0.04 -0.43 0.00 -0.77 0.00 0.00 57.85 56.96 1ab7 n ARG 54 Cb 0.50 -0.66 -0.06 0.00 -1.02 0.00 0.00 32.46 31.22 1ab7 n ARG 54 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ab7 s GLN 55 N -0.32 3.28 -0.02 5.56 -0.21 -1.20 -4.52 119.66 122.23 1ab7 s GLN 55 Ca 0.00 -0.40 0.18 0.00 0.02 0.00 0.00 55.36 55.16 1ab7 s GLN 55 Cb 0.00 -3.99 -0.26 0.00 1.00 0.00 0.00 33.01 29.76 1ab7 s GLN 55 CO 0.00 -1.12 0.48 0.34 -2.12 0.00 0.00 175.29 172.87 1ab7 n PHE 56 N 6.47 0.00 -0.01 0.91 7.35 -1.26 -3.85 117.46 127.07 1ab7 n PHE 56 Ca -0.01 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1ab7 n PHE 56 Cb 0.47 -0.32 -0.00 0.00 0.35 0.00 0.00 39.48 39.98 1ab7 n PHE 56 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1ab7 h GLU 57 N 0.00 0.00 0.10 -4.13 4.39 -1.96 -3.11 114.58 109.86 1ab7 h GLU 57 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1ab7 h GLU 57 Cb 0.74 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.35 1ab7 h GLU 57 CO 0.00 0.00 -0.47 -0.56 -1.16 0.00 0.00 179.01 176.82 1ab7 h GLN 58 N -0.27 -0.63 -0.30 2.33 -0.00 -1.95 0.16 115.11 114.44 1ab7 h GLN 58 Ca 0.00 0.04 0.09 0.00 -0.00 0.00 0.00 58.65 58.78 1ab7 h GLN 58 Cb 0.01 0.14 -0.01 0.00 -0.00 0.00 0.00 27.48 27.62 1ab7 h GLN 58 CO 0.00 -0.42 0.46 0.66 -0.00 0.00 0.00 178.83 179.53 1ab7 h SER 59 N -0.66 0.00 0.77 0.06 4.64 -1.77 0.11 113.55 116.70 1ab7 h SER 59 Ca -0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1ab7 h SER 59 Cb 0.66 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.72 1ab7 h SER 59 CO -0.26 0.00 -1.31 0.50 -0.87 0.00 0.00 176.83 174.89 1ab7 h LYS 60 N 0.00 0.02 0.07 4.77 3.64 -0.71 -3.37 116.57 120.98 1ab7 h LYS 60 Ca 0.14 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1ab7 h LYS 60 Cb 1.07 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1ab7 h LYS 60 CO -0.00 0.81 -0.03 1.96 -2.27 0.00 0.00 179.45 179.92 1ab7 h GLN 61 N 0.00 -0.09 -1.28 1.90 4.20 0.10 -3.30 115.11 116.66 1ab7 h GLN 61 Ca -0.13 0.01 0.37 0.00 0.06 0.00 0.00 58.65 58.95 1ab7 h GLN 61 Cb 1.88 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 29.63 1ab7 h GLN 61 CO 0.11 -0.06 1.10 1.47 -0.67 0.00 0.00 178.83 180.79 1ab7 n LEU 62 N -3.28 0.00 0.00 1.46 -0.00 -1.08 -4.18 117.00 109.93 1ab7 n LEU 62 Ca -0.01 0.73 0.00 0.00 -0.00 0.00 0.00 56.01 56.73 1ab7 n LEU 62 Cb 0.03 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 1ab7 n LEU 62 CO 0.03 -0.73 0.00 1.07 -0.00 0.00 0.00 177.39 177.76 1ab7 n THR 63 N -3.26 0.00 -2.88 1.47 5.66 -1.24 -4.92 114.28 109.10 1ab7 n THR 63 Ca 0.29 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.25 1ab7 n THR 63 Cb 1.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.27 1ab7 n THR 63 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1ab7 s GLU 64 N 4.97 1.01 0.00 1.09 -1.05 -1.26 -4.88 118.70 118.59 1ab7 s GLU 64 Ca 0.00 -0.95 0.00 0.00 -0.15 0.00 0.00 54.97 53.87 1ab7 s GLU 64 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.60 1ab7 s GLU 64 CO 0.00 -1.30 0.00 -1.71 0.95 0.00 0.00 175.26 173.20 1ab7 n ASN 65 N 3.25 -0.33 0.23 0.83 5.15 -1.26 -4.91 115.26 118.22 1ab7 n ASN 65 Ca 0.17 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.04 1ab7 n ASN 65 Cb 0.56 -0.36 -0.06 0.00 -0.53 0.00 0.00 39.78 39.39 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1ab7 h GLY 66 N 0.00 -0.95 1.05 8.20 0.00 -1.90 0.22 103.07 109.69 1ab7 h GLY 66 Ca 0.00 0.40 -0.08 0.00 0.00 0.00 0.00 47.33 47.65 1ab7 h GLY 66 CO 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 176.54 176.29 1ab7 h ALA 67 N -1.41 0.81 0.00 3.60 0.00 -1.87 -2.14 119.26 118.24 1ab7 h ALA 67 Ca -0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ab7 h ALA 67 Cb 0.56 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ab7 h ALA 67 CO 0.03 0.60 -0.00 1.49 0.00 0.00 0.00 179.25 181.37 1ab7 h GLU 68 N 0.93 0.00 0.00 0.00 4.57 -1.88 -1.32 114.58 116.88 1ab7 h GLU 68 Ca 0.18 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.29 1ab7 h GLU 68 Cb 0.47 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1ab7 h GLU 68 CO 0.02 0.00 -0.52 0.66 -1.18 0.00 0.00 179.01 177.99 1ab7 h SER 69 N 0.00 0.00 -0.80 1.04 4.64 0.09 -0.79 113.55 117.73 1ab7 h SER 69 Ca -0.00 -0.42 0.22 0.00 -0.47 0.00 0.00 61.79 61.12 1ab7 h SER 69 Cb 0.03 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.08 1ab7 h SER 69 CO 0.00 1.00 0.57 0.58 -0.87 0.00 0.00 176.83 178.11 1ab7 h VAL 70 N -1.00 0.63 -0.02 0.95 2.07 -1.32 0.32 116.25 117.88 1ab7 h VAL 70 Ca -0.11 -0.03 -0.16 0.00 0.82 0.00 0.00 66.70 67.22 1ab7 h VAL 70 Cb 0.79 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1ab7 h VAL 70 CO -0.07 0.02 -0.62 0.25 0.02 0.00 0.00 177.57 177.17 1ab7 h LEU 71 N 0.09 0.57 -2.00 2.57 5.85 -1.30 0.45 115.31 121.54 1ab7 h LEU 71 Ca 0.39 -0.74 0.22 0.00 0.84 0.00 0.00 57.88 58.58 1ab7 h LEU 71 Cb 1.41 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1ab7 h LEU 71 CO -0.04 1.24 0.54 1.56 -0.34 0.00 0.00 178.44 181.39 1ab7 h GLN 72 N -0.04 0.00 0.06 1.25 4.20 0.11 -0.15 115.11 120.55 1ab7 h GLN 72 Ca -0.07 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.49 1ab7 h GLN 72 Cb 1.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.10 1ab7 h GLN 72 CO 0.12 0.00 -0.74 0.28 -0.67 0.00 0.00 178.83 177.82 1ab7 h VAL 73 N 0.00 1.39 -0.01 -0.54 2.07 -1.02 -0.48 116.25 117.67 1ab7 h VAL 73 Ca 0.35 -2.37 0.03 0.00 0.82 0.00 0.00 66.70 65.54 1ab7 h VAL 73 Cb 1.43 2.97 -0.05 0.00 -1.52 0.00 0.00 31.29 34.12 1ab7 h VAL 73 CO -0.00 0.60 -0.26 -0.26 0.02 0.00 0.00 177.57 177.66 1ab7 h PHE 74 N -0.71 -0.70 -0.79 1.57 0.04 0.09 0.28 116.94 116.73 1ab7 h PHE 74 Ca -0.17 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.61 1ab7 h PHE 74 Cb 1.37 0.31 -0.04 0.00 2.20 0.00 0.00 35.95 39.79 1ab7 h PHE 74 CO 0.19 -0.35 0.43 0.00 -0.60 0.00 0.00 178.31 177.98 1ab7 h ARG 75 N -0.39 1.11 -0.05 1.51 3.08 -1.20 -0.06 114.38 118.37 1ab7 h ARG 75 Ca 0.06 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1ab7 h ARG 75 Cb 0.48 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1ab7 h ARG 75 CO -0.23 0.82 0.07 0.93 -1.07 0.00 0.00 179.97 180.49 1ab7 h GLU 76 N 1.10 0.00 0.00 0.04 4.39 0.68 0.19 114.58 120.98 1ab7 h GLU 76 Ca 0.28 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 1ab7 h GLU 76 Cb 0.04 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1ab7 h GLU 76 CO -0.04 0.00 -0.06 0.00 -1.16 0.00 0.00 179.01 177.74 1ab7 h ALA 77 N 1.90 0.01 0.00 3.43 0.00 0.13 -1.09 119.26 123.64 1ab7 h ALA 77 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ab7 h ALA 77 Cb 0.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ab7 h ALA 77 CO -0.00 0.04 0.00 0.36 0.00 0.00 0.00 179.25 179.65 1ab7 n LYS 78 N -4.65 0.10 0.00 0.00 -0.00 -0.61 0.18 118.16 113.17 1ab7 n LYS 78 Ca -0.08 0.51 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 1ab7 n LYS 78 Cb 0.34 -1.76 0.00 0.00 -0.00 0.00 0.00 35.03 33.60 1ab7 n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ab7 n ALA 79 N -1.67 0.00 -0.15 0.58 0.00 0.61 -4.61 120.51 115.27 1ab7 n ALA 79 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 1ab7 n ALA 79 Cb 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 1ab7 n ALA 79 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ab7 h GLU 80 N 0.00 -0.33 0.00 0.00 4.39 -1.22 -3.43 114.58 113.98 1ab7 h GLU 80 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ab7 h GLU 80 Cb 0.00 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1ab7 h GLU 80 CO 0.00 -0.22 0.00 0.41 -1.16 0.00 0.00 179.01 178.04 1ab7 n GLY 81 N -1.34 0.17 3.23 -3.84 0.00 -0.90 -5.09 105.19 97.42 1ab7 n GLY 81 Ca -0.03 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1ab7 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab7 n ALA 82 N -1.01 -3.30 -2.85 4.61 0.00 0.47 -4.83 120.51 113.58 1ab7 n ALA 82 Ca 0.00 -0.14 -0.36 0.00 0.00 0.00 0.00 53.44 52.94 1ab7 n ALA 82 Cb 0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.05 1ab7 n ALA 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ab7 n ASP 83 N 2.50 6.12 -4.31 0.00 8.00 -1.26 -3.59 116.55 124.01 1ab7 n ASP 83 Ca 0.07 -3.62 -0.35 0.00 0.71 0.00 0.00 54.79 51.59 1ab7 n ASP 83 Cb 0.48 -0.98 -0.14 0.00 -0.02 0.00 0.00 41.12 40.47 1ab7 n ASP 83 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ab7 s ILE 84 N -3.95 3.49 -0.64 0.53 1.01 -1.26 -1.31 121.20 119.06 1ab7 s ILE 84 Ca 0.40 -0.60 -0.28 0.00 0.00 0.00 0.00 60.65 60.18 1ab7 s ILE 84 Cb 0.19 -2.67 0.03 0.00 0.01 0.00 0.00 42.46 40.02 1ab7 s ILE 84 CO -0.08 0.31 1.27 -0.89 0.00 0.00 0.00 174.94 175.54 1ab7 s THR 85 N 1.47 3.85 -0.09 2.92 2.01 -0.18 -4.39 115.64 121.23 1ab7 s THR 85 Ca 0.04 0.66 -0.26 0.00 0.31 0.00 0.00 61.69 62.45 1ab7 s THR 85 Cb -0.15 -4.76 -0.03 0.00 0.01 0.00 0.00 72.50 67.58 1ab7 s THR 85 CO -0.02 -1.52 0.83 -0.63 -0.69 0.00 0.00 174.62 172.59 1ab7 s ILE 86 N 5.49 4.93 0.07 1.82 1.09 -1.26 -1.38 121.20 131.96 1ab7 s ILE 86 Ca 0.41 1.69 0.09 0.00 -1.10 0.00 0.00 60.65 61.74 1ab7 s ILE 86 Cb -0.08 -4.16 -0.03 0.00 -1.06 0.00 0.00 42.46 37.13 1ab7 s ILE 86 CO 0.21 0.13 -0.23 -0.63 -0.10 0.00 0.00 174.94 174.32 1ab7 s ILE 87 N 1.41 2.45 -0.41 2.92 1.01 -0.63 -4.94 121.20 123.01 1ab7 s ILE 87 Ca 0.42 -1.42 0.09 0.00 0.00 0.00 0.00 60.65 59.74 1ab7 s ILE 87 Cb -0.18 -2.03 0.33 0.00 0.01 0.00 0.00 42.46 40.59 1ab7 s ILE 87 CO 0.18 0.26 0.89 0.18 0.00 0.00 0.00 174.94 176.46 1ab7 n LEU 88 N 1.40 -0.56 0.00 2.97 4.32 -1.26 -1.79 117.00 122.07 1ab7 n LEU 88 Ca -0.17 -4.44 0.00 0.00 -0.02 0.00 0.00 56.01 51.39 1ab7 n LEU 88 Cb 0.52 0.81 0.00 0.00 -1.62 0.00 0.00 43.42 43.13 1ab7 n LEU 88 CO 0.25 2.19 0.00 -0.24 -1.22 0.00 0.00 177.39 178.37