#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 2.83 0.19 1.97 -2.85 -1.26 -1.13 119.74 119.48 1ab7 s LYS 2 Ca 0.00 -1.03 -0.09 0.00 -1.00 0.00 0.00 55.97 53.85 1ab7 s LYS 2 Cb 0.00 -3.35 -0.07 0.00 -2.06 0.00 0.00 37.83 32.35 1ab7 s LYS 2 CO 0.00 -0.54 0.49 0.00 0.10 0.00 0.00 175.35 175.40 1ab7 s ALA 3 N 1.42 3.63 -0.03 0.59 0.00 0.21 -4.84 121.76 122.75 1ab7 s ALA 3 Ca 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1ab7 s ALA 3 Cb -0.18 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.61 1ab7 s ALA 3 CO 0.02 0.55 -0.02 0.08 0.00 0.00 0.00 175.76 176.39 1ab7 s VAL 4 N -1.71 0.30 -0.33 0.00 1.01 -1.26 -0.40 120.40 118.01 1ab7 s VAL 4 Ca 0.44 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 62.30 1ab7 s VAL 4 Cb -0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 1ab7 s VAL 4 CO 0.21 0.17 0.23 -0.63 0.00 0.00 0.00 175.10 175.08 1ab7 s ILE 5 N 0.92 5.21 -0.48 2.22 -1.09 -0.47 -4.87 121.20 122.64 1ab7 s ILE 5 Ca -0.10 -0.21 -0.02 0.00 -2.23 0.00 0.00 60.65 58.09 1ab7 s ILE 5 Cb -0.14 -3.66 0.13 0.00 -1.58 0.00 0.00 42.46 37.21 1ab7 s ILE 5 CO -0.01 0.02 0.27 0.20 -1.23 0.00 0.00 174.94 174.19 1ab7 s ASN 6 N 1.71 5.19 0.00 3.58 -0.87 -1.26 0.25 114.94 123.54 1ab7 s ASN 6 Ca 0.06 -2.33 0.13 0.00 -1.57 0.00 0.00 52.86 49.15 1ab7 s ASN 6 Cb -0.17 -1.82 0.57 0.00 -0.02 0.00 0.00 41.25 39.81 1ab7 s ASN 6 CO 0.10 -0.47 1.41 0.61 -2.57 0.00 0.00 177.10 176.18 1ab7 n GLY 7 N 4.18 -0.93 0.14 0.66 0.00 -1.26 -1.84 105.19 106.13 1ab7 n GLY 7 Ca 0.01 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1ab7 n GLY 7 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ab7 h GLU 8 N 0.00 0.00 0.00 1.61 4.57 -1.90 -3.18 114.58 115.68 1ab7 h GLU 8 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ab7 h GLU 8 Cb 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1ab7 h GLU 8 CO 0.00 0.00 -0.94 0.94 -1.18 0.00 0.00 179.01 177.83 1ab7 n GLN 9 N -2.31 0.64 -2.08 1.92 7.27 -0.76 -4.95 117.38 117.11 1ab7 n GLN 9 Ca 0.03 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.69 1ab7 n GLN 9 Cb 0.27 -0.97 -0.03 0.00 2.41 0.00 0.00 30.24 31.92 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 -1.89 3.46 0.08 1.69 -1.09 -0.85 -4.82 121.20 117.78 1ab7 s ILE 10 Ca 0.00 0.37 -0.16 0.00 -2.23 0.00 0.00 60.65 58.62 1ab7 s ILE 10 Cb 0.00 -3.91 -0.10 0.00 -1.58 0.00 0.00 42.46 36.86 1ab7 s ILE 10 CO 0.00 -0.78 1.39 0.03 -1.23 0.00 0.00 174.94 174.36 1ab7 h ARG 11 N 13.79 0.62 -4.03 2.79 3.08 -1.92 -3.44 114.38 125.26 1ab7 h ARG 11 Ca -0.28 -0.33 -0.13 0.00 0.07 0.00 0.00 59.98 59.30 1ab7 h ARG 11 Cb 1.15 0.02 -0.12 0.00 0.08 0.00 0.00 29.97 31.10 1ab7 h ARG 11 CO 1.15 0.93 -0.34 0.45 -1.07 0.00 0.00 179.97 181.09 1ab7 s SER 12 N -6.46 0.03 0.62 7.04 0.15 -1.26 -4.99 113.70 108.82 1ab7 s SER 12 Ca -0.13 -1.07 0.26 0.00 0.70 0.00 0.00 55.95 55.71 1ab7 s SER 12 Cb 0.08 0.48 1.25 0.00 -1.71 0.00 0.00 66.02 66.11 1ab7 s SER 12 CO 0.81 -0.97 1.69 -0.29 1.20 0.00 0.00 173.24 175.68 1ab7 h ILE 13 N 2.46 0.17 -0.15 6.45 6.09 -1.90 0.12 117.51 130.74 1ab7 h ILE 13 Ca -0.31 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.21 1ab7 h ILE 13 Cb 1.24 0.43 -0.03 0.00 0.47 0.00 0.00 36.82 38.94 1ab7 h ILE 13 CO 0.45 0.00 -0.03 0.77 -3.07 0.00 0.00 178.15 176.27 1ab7 h SER 14 N 0.00 -0.12 0.79 2.19 4.64 -1.98 0.55 113.55 119.62 1ab7 h SER 14 Ca 0.21 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1ab7 h SER 14 Cb 1.53 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1ab7 h SER 14 CO -0.00 -0.04 0.00 0.44 -0.87 0.00 0.00 176.83 176.36 1ab7 h ASP 15 N 0.01 0.00 0.54 4.97 5.19 -1.15 -2.92 116.42 123.06 1ab7 h ASP 15 Ca 0.07 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 1ab7 h ASP 15 Cb 0.11 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.62 1ab7 h ASP 15 CO -0.15 0.00 -0.26 0.25 -3.12 0.00 0.00 179.24 175.96 1ab7 h LEU 16 N 0.00 -0.62 -2.69 1.55 5.85 -0.78 0.48 115.31 119.10 1ab7 h LEU 16 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1ab7 h LEU 16 Cb 0.40 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 1ab7 h LEU 16 CO 0.00 -0.23 0.09 0.45 -0.34 0.00 0.00 178.44 178.40 1ab7 h HIS 17 N -1.08 0.00 0.07 1.25 3.86 -1.28 0.27 115.15 118.24 1ab7 h HIS 17 Ca -0.07 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.89 1ab7 h HIS 17 Cb 0.62 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 1ab7 h HIS 17 CO 0.01 0.00 -1.19 1.96 0.86 0.00 0.00 177.93 179.57 1ab7 h GLN 18 N 0.00 0.14 -0.14 2.45 4.20 -1.28 0.12 115.11 120.60 1ab7 h GLN 18 Ca 0.01 -0.24 -0.16 0.00 0.06 0.00 0.00 58.65 58.31 1ab7 h GLN 18 Cb 0.18 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1ab7 h GLN 18 CO -0.00 1.08 -0.59 1.15 -0.67 0.00 0.00 178.83 179.81 1ab7 h THR 19 N 0.04 1.34 0.13 -0.54 2.02 0.18 0.41 112.91 116.49 1ab7 h THR 19 Ca -0.10 -1.88 -0.28 0.00 0.77 0.00 0.00 66.41 64.92 1ab7 h THR 19 Cb 1.89 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 70.18 1ab7 h THR 19 CO 0.16 0.57 -1.29 -0.07 0.37 0.00 0.00 175.52 175.27 1ab7 h LEU 20 N 0.35 0.43 -1.25 2.58 3.38 -1.31 -1.10 115.31 118.40 1ab7 h LEU 20 Ca -0.00 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1ab7 h LEU 20 Cb 1.13 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1ab7 h LEU 20 CO 0.10 1.38 -0.07 0.50 0.09 0.00 0.00 178.44 180.45 1ab7 h LYS 21 N 0.08 0.00 0.10 1.13 3.64 -0.80 -0.06 116.57 120.66 1ab7 h LYS 21 Ca -0.15 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.89 1ab7 h LYS 21 Cb 1.98 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.78 1ab7 h LYS 21 CO 0.20 0.07 -1.87 -0.22 -2.27 0.00 0.00 179.45 175.36 1ab7 h LYS 22 N 0.00 0.22 0.01 1.90 3.64 -0.05 -2.24 116.57 120.05 1ab7 h LYS 22 Ca -0.00 -0.37 -0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1ab7 h LYS 22 Cb 0.62 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1ab7 h LYS 22 CO 0.01 1.06 -0.01 0.93 -2.27 0.00 0.00 179.45 179.17 1ab7 h GLU 23 N 0.06 -0.01 0.00 1.90 4.39 -1.08 -3.32 114.58 116.51 1ab7 h GLU 23 Ca -0.37 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.25 1ab7 h GLU 23 Cb 2.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.68 1ab7 h GLU 23 CO 0.10 0.57 -0.37 -0.07 -1.16 0.00 0.00 179.01 178.09 1ab7 h LEU 24 N -0.99 0.00 -2.29 1.33 3.38 -1.22 -3.47 115.31 112.06 1ab7 h LEU 24 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1ab7 h LEU 24 Cb 0.59 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.39 1ab7 h LEU 24 CO 0.00 0.37 -0.20 0.00 0.09 0.00 0.00 178.44 178.70 1ab7 n ALA 25 N -2.26 -0.69 -1.28 1.53 0.00 -0.88 -4.77 120.51 112.16 1ab7 n ALA 25 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 1ab7 n ALA 25 Cb 0.54 -1.29 0.15 0.00 0.00 0.00 0.00 19.45 18.85 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 -3.27 1.90 0.00 0.00 1.43 -0.95 -5.01 118.68 112.79 1ab7 s LEU 26 Ca 0.04 1.21 -0.13 0.00 -1.03 0.00 0.00 54.13 54.22 1ab7 s LEU 26 Cb -0.01 -3.51 0.19 0.00 0.03 0.00 0.00 46.19 42.89 1ab7 s LEU 26 CO 0.18 -2.82 0.90 -0.81 0.23 0.00 0.00 176.35 174.04 1ab7 n PRO 27 N -3.97 -1.56 0.07 1.29 -0.04 -1.26 -4.95 135.00 124.58 1ab7 n PRO 27 Ca 0.06 -1.41 -0.20 0.00 -0.04 0.00 0.00 63.50 61.91 1ab7 n PRO 27 Cb 0.57 -1.07 -0.11 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.61 0.00 0.54 4.81 -2.01 -3.09 114.58 115.44 1ab7 h GLU 28 Ca -0.31 -0.73 0.00 0.00 -0.13 0.00 0.00 59.36 58.19 1ab7 h GLU 28 Cb 0.88 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1ab7 h GLU 28 CO 0.21 1.31 0.00 2.48 -0.73 0.00 0.00 179.01 182.29 1ab7 n TYR 29 N -3.80 0.00 -1.02 0.92 0.18 -1.26 -4.86 117.16 107.32 1ab7 n TYR 29 Ca -0.11 0.00 -0.48 0.00 1.88 0.00 0.00 57.90 59.19 1ab7 n TYR 29 Cb 0.93 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.79 1ab7 n TYR 29 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1ab7 n TYR 30 N -0.85 0.96 -0.39 -3.48 9.36 -1.17 -4.67 117.16 116.91 1ab7 n TYR 30 Ca 0.14 0.63 0.37 0.00 3.32 0.00 0.00 57.90 62.36 1ab7 n TYR 30 Cb 0.06 -1.80 0.74 0.00 -0.63 0.00 0.00 39.34 37.71 1ab7 n TYR 30 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1ab7 h GLY 31 N 6.78 0.18 -2.59 2.98 0.00 -1.89 -3.45 103.07 105.09 1ab7 h GLY 31 Ca -0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.08 1ab7 h GLY 31 CO 0.85 -0.03 -0.22 1.18 0.00 0.00 0.00 176.54 178.32 1ab7 n GLU 32 N -4.20 -2.49 -0.38 4.80 1.02 -1.26 -4.93 120.64 113.20 1ab7 n GLU 32 Ca 0.29 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1ab7 n GLU 32 Cb 1.35 -3.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 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 -0.09 0.00 0.10 1.62 6.94 -1.26 -4.94 115.26 117.63 1ab7 n ASN 33 Ca -0.01 -0.33 0.13 0.00 -0.02 0.00 0.00 54.58 54.35 1ab7 n ASN 33 Cb 0.52 0.00 0.42 0.00 -2.36 0.00 0.00 39.78 38.37 1ab7 n ASN 33 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ab7 n LEU 34 N 0.00 0.77 -0.06 -4.53 -0.00 -1.26 -1.47 117.00 110.45 1ab7 n LEU 34 Ca 0.00 0.59 -0.09 0.00 -0.00 0.00 0.00 56.01 56.51 1ab7 n LEU 34 Cb 0.00 -0.36 -0.08 0.00 -0.00 0.00 0.00 43.42 42.98 1ab7 n LEU 34 CO 0.00 -0.22 0.20 -2.24 -0.00 0.00 0.00 177.39 175.12 1ab7 h ASP 35 N 0.00 0.00 0.69 1.45 2.03 -1.97 -1.08 116.42 117.54 1ab7 h ASP 35 Ca 0.00 -0.58 -0.16 0.00 -0.73 0.00 0.00 57.03 55.55 1ab7 h ASP 35 Cb 0.68 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.16 1ab7 h ASP 35 CO 0.00 0.82 -0.76 0.00 -1.03 0.00 0.00 179.24 178.26 1ab7 h ALA 36 N -0.42 0.72 0.13 4.15 0.00 -1.92 0.33 119.26 122.25 1ab7 h ALA 36 Ca -0.01 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 1ab7 h ALA 36 Cb 0.62 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ab7 h ALA 36 CO -0.01 0.92 -0.06 1.25 0.00 0.00 0.00 179.25 181.35 1ab7 h LEU 37 N 0.03 -0.15 -1.29 0.00 5.85 -1.39 0.30 115.31 118.67 1ab7 h LEU 37 Ca -0.01 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.35 1ab7 h LEU 37 Cb 1.35 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.38 1ab7 h LEU 37 CO 0.10 0.33 0.49 -0.25 -0.34 0.00 0.00 178.44 178.77 1ab7 h TRP 38 N -0.67 0.91 0.00 1.25 -0.00 -1.21 0.41 115.95 116.63 1ab7 h TRP 38 Ca -0.02 0.02 -0.05 0.00 -0.00 0.00 0.00 58.89 58.84 1ab7 h TRP 38 Cb 0.51 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.35 1ab7 h TRP 38 CO 0.07 0.56 -0.24 -0.44 -0.00 0.00 0.00 178.44 178.39 1ab7 h ASP 39 N 0.97 0.00 0.00 2.65 3.32 -0.70 -0.98 116.42 121.67 1ab7 h ASP 39 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1ab7 h ASP 39 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1ab7 h ASP 39 CO -0.07 0.24 0.00 0.00 -1.72 0.00 0.00 179.24 177.70 1ab7 n ALA 40 N -2.49 0.00 -0.30 3.45 0.00 0.10 -3.92 120.51 117.36 1ab7 n ALA 40 Ca -0.02 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1ab7 n ALA 40 Cb 0.30 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.97 -0.12 -1.61 0.00 4.77 0.93 0.17 117.00 119.17 1ab7 n LEU 41 Ca 0.00 1.45 -0.03 0.00 -0.03 0.00 0.00 56.01 57.41 1ab7 n LEU 41 Cb 0.00 -0.52 -0.04 0.00 -2.33 0.00 0.00 43.42 40.53 1ab7 n LEU 41 CO 0.00 -1.46 1.14 0.35 -1.33 0.00 0.00 177.39 176.09 1ab7 n THR 42 N -5.25 2.23 0.00 -5.08 -2.24 -0.37 -4.12 114.28 99.45 1ab7 n THR 42 Ca 0.20 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1ab7 n THR 42 Cb 0.64 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 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 1.72 0.08 0.64 3.38 0.00 0.44 -4.92 105.19 106.53 1ab7 n GLY 43 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.07 -0.10 1.61 -0.00 0.26 -4.77 117.44 111.37 1ab7 n TRP 44 Ca 0.00 0.47 0.26 0.00 -0.00 0.00 0.00 57.50 58.23 1ab7 n TRP 44 Cb 0.00 1.51 0.60 0.00 -0.00 0.00 0.00 31.31 33.42 1ab7 n TRP 44 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1ab7 h VAL 45 N 0.00 0.17 -2.92 5.87 2.07 -1.73 -3.47 116.25 116.24 1ab7 h VAL 45 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ab7 h VAL 45 Cb 0.00 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1ab7 h VAL 45 CO 0.00 0.00 -0.62 1.21 0.02 0.00 0.00 177.57 178.18 1ab7 n GLU 46 N -3.49 -3.53 -4.36 1.57 4.07 -1.26 -4.60 120.64 109.03 1ab7 n GLU 46 Ca 0.17 2.61 -0.24 0.00 -0.06 0.00 0.00 57.16 59.63 1ab7 n GLU 46 Cb 1.14 -2.75 -0.09 0.00 -0.06 0.00 0.00 31.44 29.68 1ab7 n GLU 46 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1ab7 s TYR 47 N -1.04 2.53 0.48 4.31 2.02 -1.26 -4.13 117.35 120.26 1ab7 s TYR 47 Ca 0.00 -0.37 -0.22 0.00 -0.37 0.00 0.00 57.07 56.11 1ab7 s TYR 47 Cb 0.00 -1.33 -0.07 0.00 -0.40 0.00 0.00 41.96 40.16 1ab7 s TYR 47 CO 0.00 0.56 1.13 -1.25 -1.57 0.00 0.00 175.55 174.42 1ab7 s PRO 48 N -3.66 3.67 0.27 -1.71 0.04 -1.26 -4.86 135.00 127.48 1ab7 s PRO 48 Ca 0.33 1.65 0.12 0.00 0.04 0.00 0.00 61.00 63.14 1ab7 s PRO 48 Cb -0.02 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 1ab7 s PRO 48 CO 0.19 -0.59 -0.21 -1.17 0.04 0.00 0.00 177.00 175.25 1ab7 s LEU 49 N -3.29 2.57 -0.36 -3.56 2.96 -0.43 -2.18 118.68 114.38 1ab7 s LEU 49 Ca 0.66 -1.00 0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1ab7 s LEU 49 Cb -0.25 -1.11 0.10 0.00 0.50 0.00 0.00 46.19 45.43 1ab7 s LEU 49 CO 0.30 0.05 0.08 -0.69 -1.32 0.00 0.00 176.35 174.77 1ab7 s VAL 50 N -2.37 2.20 -1.44 1.68 1.01 -0.28 -0.70 120.40 120.49 1ab7 s VAL 50 Ca 0.29 -2.41 -0.10 0.00 0.00 0.00 0.00 61.98 59.76 1ab7 s VAL 50 Cb -0.05 -2.62 0.05 0.00 0.00 0.00 0.00 36.38 33.76 1ab7 s VAL 50 CO 0.14 -0.64 2.42 -0.11 0.00 0.00 0.00 175.10 176.92 1ab7 n LEU 51 N 4.14 7.71 -4.57 3.92 7.94 0.75 0.67 117.00 137.56 1ab7 n LEU 51 Ca 0.04 -4.50 -0.21 0.00 -1.11 0.00 0.00 56.01 50.23 1ab7 n LEU 51 Cb 0.41 -1.52 -0.08 0.00 0.53 0.00 0.00 43.42 42.76 1ab7 n LEU 51 CO 0.23 1.70 1.29 -0.70 -1.11 0.00 0.00 177.39 178.80 1ab7 s GLU 52 N 1.21 1.95 0.44 1.96 2.12 0.46 -1.41 118.70 125.43 1ab7 s GLU 52 Ca 0.54 -0.40 -0.23 0.00 0.36 0.00 0.00 54.97 55.24 1ab7 s GLU 52 Cb 0.15 -5.03 -0.08 0.00 0.26 0.00 0.00 34.13 29.43 1ab7 s GLU 52 CO -0.06 -4.37 1.07 -0.46 -0.54 0.00 0.00 175.26 170.90 1ab7 s TRP 53 N 13.29 3.09 -0.64 5.30 -0.11 -1.16 -1.37 118.94 137.34 1ab7 s TRP 53 Ca 0.78 1.60 -0.11 0.00 1.22 0.00 0.00 56.10 59.58 1ab7 s TRP 53 Cb -0.06 -3.17 0.17 0.00 -1.50 0.00 0.00 33.47 28.91 1ab7 s TRP 53 CO 0.10 -0.89 0.55 1.03 -4.62 0.00 0.00 176.95 173.12 1ab7 s ARG 54 N -2.76 3.02 0.00 5.86 1.81 0.14 -4.61 118.95 122.40 1ab7 s ARG 54 Ca 0.62 -2.14 0.00 0.00 -1.72 0.00 0.00 55.73 52.49 1ab7 s ARG 54 Cb -0.22 -4.16 0.00 0.00 -0.45 0.00 0.00 34.95 30.12 1ab7 s ARG 54 CO 0.27 -1.26 0.00 0.94 -0.68 0.00 0.00 175.30 174.57 1ab7 n GLN 55 N 4.40 0.00 0.00 3.54 -0.06 -1.26 -4.35 117.38 119.65 1ab7 n GLN 55 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 1ab7 n GLN 55 Cb 0.42 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.60 1ab7 n GLN 55 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1ab7 n PHE 56 N 0.00 0.00 -0.05 3.69 7.35 -1.26 -4.70 117.46 122.49 1ab7 n PHE 56 Ca 0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 1ab7 n PHE 56 Cb 0.00 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 1ab7 n PHE 56 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1ab7 h GLU 57 N 0.00 -0.10 -6.41 -4.13 4.81 -1.97 -3.19 114.58 103.59 1ab7 h GLU 57 Ca 0.00 0.01 -0.61 0.00 -0.13 0.00 0.00 59.36 58.63 1ab7 h GLU 57 Cb 0.00 0.02 0.12 0.00 0.63 0.00 0.00 28.75 29.52 1ab7 h GLU 57 CO 0.00 -0.07 -0.01 0.00 -0.73 0.00 0.00 179.01 178.20 1ab7 n GLN 58 N -3.50 1.09 0.00 1.92 10.64 -1.26 -0.52 117.38 125.76 1ab7 n GLN 58 Ca -0.01 0.39 0.00 0.00 -1.83 0.00 0.00 57.00 55.55 1ab7 n GLN 58 Cb 0.10 -1.72 0.00 0.00 -0.86 0.00 0.00 30.24 27.76 1ab7 n GLN 58 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1ab7 n SER 59 N 1.26 0.00 0.19 2.61 3.41 -1.26 -4.60 113.62 115.24 1ab7 n SER 59 Ca 0.11 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.84 1ab7 n SER 59 Cb 0.32 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.41 1ab7 n SER 59 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1ab7 h LYS 60 N 0.00 0.00 0.00 4.33 3.64 -0.78 -3.36 116.57 120.40 1ab7 h LYS 60 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ab7 h LYS 60 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ab7 h LYS 60 CO 0.00 0.00 -0.00 1.96 -2.27 0.00 0.00 179.45 179.14 1ab7 h GLN 61 N 0.00 -0.00 -1.45 1.90 1.08 -1.55 -3.33 115.11 111.76 1ab7 h GLN 61 Ca 0.00 0.00 0.42 0.00 -1.45 0.00 0.00 58.65 57.62 1ab7 h GLN 61 Cb 0.99 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.36 1ab7 h GLN 61 CO 0.00 -0.00 1.04 1.28 -0.95 0.00 0.00 178.83 180.20 1ab7 n LEU 62 N -2.22 0.00 0.00 1.46 4.32 -1.26 -4.05 117.00 115.25 1ab7 n LEU 62 Ca -0.00 0.73 0.00 0.00 -0.02 0.00 0.00 56.01 56.72 1ab7 n LEU 62 Cb 0.00 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.44 1ab7 n LEU 62 CO 0.00 -0.73 0.00 1.07 -1.22 0.00 0.00 177.39 176.51 1ab7 n THR 63 N -3.41 0.00 0.00 -5.08 5.66 -1.25 -5.04 114.28 105.16 1ab7 n THR 63 Ca 0.33 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.33 1ab7 n THR 63 Cb 1.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.26 1ab7 n THR 63 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ab7 n GLU 64 N 0.00 0.00 -0.42 1.09 1.02 -1.26 -4.96 120.64 116.11 1ab7 n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ab7 n GLU 64 Cb 0.00 -0.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.31 1ab7 n GLU 64 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ab7 n ASN 65 N -2.24 0.00 0.14 1.62 4.13 -1.26 -4.88 115.26 112.77 1ab7 n ASN 65 Ca 0.00 -1.32 -0.06 0.00 1.68 0.00 0.00 54.58 54.89 1ab7 n ASN 65 Cb 0.00 -0.06 -0.03 0.00 -1.54 0.00 0.00 39.78 38.15 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1ab7 h GLY 66 N 0.00 -0.39 1.38 7.41 0.00 -1.93 -0.18 103.07 109.36 1ab7 h GLY 66 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.36 1ab7 h GLY 66 CO 0.00 -0.14 -0.26 0.00 0.00 0.00 0.00 176.54 176.14 1ab7 h ALA 67 N -1.75 0.89 -0.26 3.60 0.00 -1.87 -1.75 119.26 118.12 1ab7 h ALA 67 Ca -0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ab7 h ALA 67 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ab7 h ALA 67 CO 0.06 0.62 0.16 1.49 0.00 0.00 0.00 179.25 181.58 1ab7 h GLU 68 N 0.61 0.35 0.09 0.00 4.57 -1.88 -1.45 114.58 116.86 1ab7 h GLU 68 Ca 0.08 -0.02 -0.18 0.00 -1.18 0.00 0.00 59.36 58.06 1ab7 h GLU 68 Cb 0.76 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1ab7 h GLU 68 CO 0.06 0.25 -0.86 0.77 -1.18 0.00 0.00 179.01 178.05 1ab7 h SER 69 N 0.36 0.29 -0.95 1.04 0.02 -0.66 -1.31 113.55 112.34 1ab7 h SER 69 Ca 0.10 -0.89 0.20 0.00 -0.84 0.00 0.00 61.79 60.35 1ab7 h SER 69 Cb -0.01 -0.09 -0.08 0.00 0.14 0.00 0.00 62.40 62.35 1ab7 h SER 69 CO -0.02 1.38 0.61 0.58 -1.14 0.00 0.00 176.83 178.25 1ab7 h VAL 70 N -0.55 0.70 -0.07 2.27 2.07 -1.14 0.12 116.25 119.63 1ab7 h VAL 70 Ca -0.18 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 1ab7 h VAL 70 Cb 1.50 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1ab7 h VAL 70 CO 0.05 0.10 -0.35 0.25 0.02 0.00 0.00 177.57 177.65 1ab7 h LEU 71 N 0.57 0.44 -1.95 2.57 5.85 -1.29 0.14 115.31 121.64 1ab7 h LEU 71 Ca 0.51 -0.65 0.25 0.00 0.84 0.00 0.00 57.88 58.84 1ab7 h LEU 71 Cb 1.05 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1ab7 h LEU 71 CO -0.26 1.01 0.67 1.56 -0.34 0.00 0.00 178.44 181.09 1ab7 h GLN 72 N -0.11 0.00 0.11 1.25 4.20 0.40 0.92 115.11 121.89 1ab7 h GLN 72 Ca -0.02 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.43 1ab7 h GLN 72 Cb 1.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.78 1ab7 h GLN 72 CO 0.07 0.00 -1.32 0.28 -0.67 0.00 0.00 178.83 177.20 1ab7 h VAL 73 N 0.00 1.08 0.30 -0.54 2.07 -0.85 -0.93 116.25 117.38 1ab7 h VAL 73 Ca 0.41 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.53 1ab7 h VAL 73 Cb 1.75 2.74 -0.02 0.00 -1.52 0.00 0.00 31.29 34.24 1ab7 h VAL 73 CO -0.00 0.68 -0.31 -0.26 0.02 0.00 0.00 177.57 177.69 1ab7 h PHE 74 N -0.37 -0.84 -0.61 1.57 0.04 0.11 0.15 116.94 116.99 1ab7 h PHE 74 Ca -0.29 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.50 1ab7 h PHE 74 Cb 1.70 0.33 -0.03 0.00 2.20 0.00 0.00 35.95 40.15 1ab7 h PHE 74 CO 0.13 -0.44 0.40 0.00 -0.60 0.00 0.00 178.31 177.80 1ab7 h ARG 75 N -0.65 0.79 -0.42 1.51 3.08 -1.06 0.81 114.38 118.43 1ab7 h ARG 75 Ca -0.01 -0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.11 1ab7 h ARG 75 Cb 0.59 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1ab7 h ARG 75 CO -0.07 0.52 0.39 0.93 -1.07 0.00 0.00 179.97 180.67 1ab7 h GLU 76 N 0.81 0.00 0.00 0.04 5.08 -0.09 0.42 114.58 120.84 1ab7 h GLU 76 Ca 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1ab7 h GLU 76 Cb -0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1ab7 h GLU 76 CO -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 179.01 177.92 1ab7 h ALA 77 N 1.62 0.01 0.00 3.43 0.00 0.16 -0.99 119.26 123.48 1ab7 h ALA 77 Ca 0.20 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ab7 h ALA 77 Cb 0.98 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ab7 h ALA 77 CO -0.00 0.02 0.00 0.36 0.00 0.00 0.00 179.25 179.62 1ab7 n LYS 78 N -4.61 0.07 0.00 0.00 -0.00 -0.50 0.18 118.16 113.29 1ab7 n LYS 78 Ca -0.10 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 1ab7 n LYS 78 Cb 0.47 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.00 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 -1.41 0.00 -0.28 0.58 0.00 0.14 -4.61 120.51 114.93 1ab7 n ALA 79 Ca 0.04 -0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.24 1ab7 n ALA 79 Cb 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.16 0.00 0.00 4.39 -1.24 -3.43 114.58 114.14 1ab7 h GLU 80 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ab7 h GLU 80 Cb 0.00 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1ab7 h GLU 80 CO 0.00 -0.11 0.00 0.41 -1.16 0.00 0.00 179.01 178.15 1ab7 n GLY 81 N -1.36 0.13 3.14 -3.84 0.00 -0.99 -5.09 105.19 97.17 1ab7 n GLY 81 Ca 0.02 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.84 -4.21 -2.90 4.61 0.00 0.47 -4.86 120.51 112.79 1ab7 n ALA 82 Ca 0.00 -0.38 -0.34 0.00 0.00 0.00 0.00 53.44 52.72 1ab7 n ALA 82 Cb 0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 1ab7 n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ab7 n ASP 83 N 2.82 5.68 -4.79 0.00 -0.08 -1.26 -3.91 116.55 115.01 1ab7 n ASP 83 Ca 0.03 -3.63 -0.30 0.00 -1.51 0.00 0.00 54.79 49.39 1ab7 n ASP 83 Cb 0.52 -0.88 -0.06 0.00 2.34 0.00 0.00 41.12 43.04 1ab7 n ASP 83 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1ab7 s ILE 84 N -3.97 4.61 -0.61 5.18 1.01 -1.26 -1.31 121.20 124.84 1ab7 s ILE 84 Ca 0.42 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 60.20 1ab7 s ILE 84 Cb 0.20 -3.24 0.16 0.00 0.01 0.00 0.00 42.46 39.59 1ab7 s ILE 84 CO -0.09 0.09 0.49 -0.89 0.00 0.00 0.00 174.94 174.55 1ab7 s THR 85 N -1.45 4.53 -0.75 2.92 2.01 0.12 -4.64 115.64 118.38 1ab7 s THR 85 Ca 0.30 -2.25 -0.27 0.00 0.31 0.00 0.00 61.69 59.79 1ab7 s THR 85 Cb -0.12 -3.91 0.02 0.00 0.01 0.00 0.00 72.50 68.50 1ab7 s THR 85 CO 0.23 -0.88 1.37 -0.63 -0.69 0.00 0.00 174.62 174.02 1ab7 s ILE 86 N 0.70 3.69 0.07 1.82 1.09 -1.26 -0.18 121.20 127.14 1ab7 s ILE 86 Ca 0.12 0.28 -0.26 0.00 -1.10 0.00 0.00 60.65 59.69 1ab7 s ILE 86 Cb -0.21 -4.81 -0.06 0.00 -1.06 0.00 0.00 42.46 36.32 1ab7 s ILE 86 CO -0.03 -1.75 0.79 -0.63 -0.10 0.00 0.00 174.94 173.22 1ab7 s ILE 87 N 6.11 4.64 -0.43 2.92 -1.09 -0.50 -4.96 121.20 127.89 1ab7 s ILE 87 Ca 0.40 1.69 0.08 0.00 -2.23 0.00 0.00 60.65 60.59 1ab7 s ILE 87 Cb -0.08 -4.14 0.28 0.00 -1.58 0.00 0.00 42.46 36.94 1ab7 s ILE 87 CO 0.13 0.39 0.77 0.18 -1.23 0.00 0.00 174.94 175.18 1ab7 n LEU 88 N 2.59 -1.02 0.00 2.97 4.77 -1.26 -2.99 117.00 122.06 1ab7 n LEU 88 Ca -0.02 -4.19 0.08 0.00 -0.03 0.00 0.00 56.01 51.84 1ab7 n LEU 88 Cb 0.50 0.76 0.46 0.00 -2.33 0.00 0.00 43.42 42.81 1ab7 n LEU 88 CO 0.47 2.09 0.67 -0.24 -1.33 0.00 0.00 177.39 179.06