#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 1.15 0.35 1.64 2.20 -1.26 -1.19 119.74 122.63 1ab7 s LYS 2 Ca 0.00 -1.01 -0.18 0.00 -0.36 0.00 0.00 55.97 54.42 1ab7 s LYS 2 Cb 0.00 -2.39 -0.10 0.00 -1.51 0.00 0.00 37.83 33.83 1ab7 s LYS 2 CO 0.00 -0.76 0.81 0.00 -0.36 0.00 0.00 175.35 175.04 1ab7 s ALA 3 N 1.49 3.24 -0.05 3.13 0.00 0.19 -4.85 121.76 124.90 1ab7 s ALA 3 Ca 0.02 0.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.14 1ab7 s ALA 3 Cb -0.18 -2.91 0.04 0.00 0.00 0.00 0.00 23.12 20.06 1ab7 s ALA 3 CO -0.12 0.26 0.09 0.08 0.00 0.00 0.00 175.76 176.07 1ab7 s VAL 4 N -1.99 -0.15 -0.38 0.00 1.01 -1.26 -0.77 120.40 116.87 1ab7 s VAL 4 Ca 0.55 0.38 -0.15 0.00 0.00 0.00 0.00 61.98 62.76 1ab7 s VAL 4 Cb -0.11 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1ab7 s VAL 4 CO 0.17 0.16 0.36 -0.63 0.00 0.00 0.00 175.10 175.15 1ab7 s ILE 5 N 2.06 5.18 -0.79 2.22 -1.09 -0.54 -4.87 121.20 123.37 1ab7 s ILE 5 Ca 0.02 -0.23 -0.07 0.00 -2.23 0.00 0.00 60.65 58.15 1ab7 s ILE 5 Cb -0.12 -3.89 0.20 0.00 -1.58 0.00 0.00 42.46 37.07 1ab7 s ILE 5 CO -0.04 -0.21 0.68 0.20 -1.23 0.00 0.00 174.94 174.33 1ab7 s ASN 6 N 1.74 6.07 0.01 3.58 -0.87 -1.26 -0.78 114.94 123.43 1ab7 s ASN 6 Ca 0.10 -3.04 0.11 0.00 -1.57 0.00 0.00 52.86 48.46 1ab7 s ASN 6 Cb -0.17 -2.02 0.47 0.00 -0.02 0.00 0.00 41.25 39.51 1ab7 s ASN 6 CO 0.12 -0.39 1.35 0.61 -2.57 0.00 0.00 177.10 176.22 1ab7 n GLY 7 N 3.35 -0.88 0.16 0.66 0.00 -1.26 -1.63 105.19 105.59 1ab7 n GLY 7 Ca 0.14 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.96 -3.05 114.58 115.74 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 0.19 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1ab7 h GLU 8 CO 0.00 0.00 -1.07 0.94 -1.18 0.00 0.00 179.01 177.70 1ab7 n GLN 9 N -2.43 0.16 -1.97 1.92 7.27 -0.64 -4.94 117.38 116.75 1ab7 n GLN 9 Ca 0.02 -0.01 -0.40 0.00 0.07 0.00 0.00 57.00 56.68 1ab7 n GLN 9 Cb 0.25 -1.03 -0.03 0.00 2.41 0.00 0.00 30.24 31.83 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 -2.10 3.36 0.08 1.69 -1.09 -0.92 -4.81 121.20 117.40 1ab7 s ILE 10 Ca -0.01 0.28 -0.17 0.00 -2.23 0.00 0.00 60.65 58.53 1ab7 s ILE 10 Cb 0.01 -3.73 -0.11 0.00 -1.58 0.00 0.00 42.46 37.04 1ab7 s ILE 10 CO 0.06 -0.64 1.38 0.03 -1.23 0.00 0.00 174.94 174.55 1ab7 h ARG 11 N 14.74 0.58 -4.30 2.79 3.08 -1.92 -3.45 114.38 125.89 1ab7 h ARG 11 Ca -0.28 -0.32 -0.16 0.00 0.07 0.00 0.00 59.98 59.29 1ab7 h ARG 11 Cb 1.18 0.02 -0.15 0.00 0.08 0.00 0.00 29.97 31.10 1ab7 h ARG 11 CO 1.15 0.91 -0.61 -1.12 -1.07 0.00 0.00 179.97 179.23 1ab7 s SER 12 N -6.42 0.31 0.61 7.04 0.01 -1.26 -4.95 113.70 109.03 1ab7 s SER 12 Ca -0.13 -1.11 0.26 0.00 1.31 0.00 0.00 55.95 56.29 1ab7 s SER 12 Cb 0.07 0.29 1.23 0.00 0.21 0.00 0.00 66.02 67.83 1ab7 s SER 12 CO 0.81 -0.72 1.67 -0.29 0.41 0.00 0.00 173.24 175.11 1ab7 h ILE 13 N 2.88 0.17 -0.10 1.44 6.09 -1.89 0.17 117.51 126.27 1ab7 h ILE 13 Ca -0.34 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.14 1ab7 h ILE 13 Cb 1.19 0.41 -0.00 0.00 0.47 0.00 0.00 36.82 38.89 1ab7 h ILE 13 CO 0.59 0.00 0.05 -1.28 -3.07 0.00 0.00 178.15 174.44 1ab7 h SER 14 N 0.00 0.12 0.53 2.19 0.87 -1.97 -1.11 113.55 114.18 1ab7 h SER 14 Ca 0.23 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1ab7 h SER 14 Cb 1.63 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.56 1ab7 h SER 14 CO -0.00 0.17 0.00 0.44 -0.53 0.00 0.00 176.83 176.91 1ab7 h ASP 15 N 0.06 0.00 0.22 6.23 5.19 -1.06 -2.81 116.42 124.26 1ab7 h ASP 15 Ca 0.03 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1ab7 h ASP 15 Cb 0.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1ab7 h ASP 15 CO -0.01 0.00 -0.11 0.25 -3.12 0.00 0.00 179.24 176.26 1ab7 h LEU 16 N 0.00 -0.26 -1.65 1.55 5.85 -1.08 -1.50 115.31 118.22 1ab7 h LEU 16 Ca 0.00 0.01 0.21 0.00 0.84 0.00 0.00 57.88 58.94 1ab7 h LEU 16 Cb 0.26 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1ab7 h LEU 16 CO 0.00 -0.00 0.78 0.45 -0.34 0.00 0.00 178.44 179.32 1ab7 h HIS 17 N -0.66 0.00 0.20 1.25 3.86 -1.29 0.38 115.15 118.89 1ab7 h HIS 17 Ca -0.03 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1ab7 h HIS 17 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 1ab7 h HIS 17 CO 0.04 0.00 -0.09 1.96 0.86 0.00 0.00 177.93 180.69 1ab7 h GLN 18 N 0.00 -0.25 -0.98 2.45 4.20 -1.39 -0.64 115.11 118.48 1ab7 h GLN 18 Ca 0.35 0.02 0.27 0.00 0.06 0.00 0.00 58.65 59.34 1ab7 h GLN 18 Cb 1.90 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 29.68 1ab7 h GLN 18 CO -0.00 0.13 0.68 1.15 -0.67 0.00 0.00 178.83 180.12 1ab7 h THR 19 N -0.90 0.54 0.00 -0.54 2.02 0.79 1.23 112.91 116.06 1ab7 h THR 19 Ca -0.03 -0.06 -0.26 0.00 0.77 0.00 0.00 66.41 66.83 1ab7 h THR 19 Cb 0.50 0.36 0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1ab7 h THR 19 CO 0.04 0.03 -1.03 -0.07 0.37 0.00 0.00 175.52 174.86 1ab7 h LEU 20 N 0.17 0.84 -2.77 2.58 3.38 -1.15 -1.36 115.31 117.01 1ab7 h LEU 20 Ca 0.50 -0.68 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1ab7 h LEU 20 Cb 1.66 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 1ab7 h LEU 20 CO -0.11 1.48 -0.00 0.50 0.09 0.00 0.00 178.44 180.40 1ab7 h LYS 21 N 0.36 0.00 0.00 1.13 3.64 0.30 0.13 116.57 122.13 1ab7 h LYS 21 Ca -0.12 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 1ab7 h LYS 21 Cb 1.68 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.50 1ab7 h LYS 21 CO 0.20 0.00 -0.53 0.87 -2.27 0.00 0.00 179.45 177.72 1ab7 h LYS 22 N 0.00 0.00 0.79 1.90 1.57 -0.27 0.50 116.57 121.07 1ab7 h LYS 22 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1ab7 h LYS 22 Cb 0.04 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1ab7 h LYS 22 CO 0.00 0.26 -0.38 1.05 -0.57 0.00 0.00 179.45 179.81 1ab7 h GLU 23 N -1.00 -1.03 0.00 3.15 4.11 -1.08 -1.95 114.58 116.79 1ab7 h GLU 23 Ca -0.07 0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1ab7 h GLU 23 Cb 0.60 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1ab7 h GLU 23 CO -0.04 -0.68 -0.07 -0.07 0.07 0.00 0.00 179.01 178.22 1ab7 h LEU 24 N -1.09 0.00 -1.86 3.06 3.38 -0.97 -3.47 115.31 114.35 1ab7 h LEU 24 Ca -0.11 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 1ab7 h LEU 24 Cb 0.82 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.68 1ab7 h LEU 24 CO 0.18 0.07 -0.47 0.00 0.09 0.00 0.00 178.44 178.32 1ab7 n ALA 25 N -2.23 -1.25 -1.56 1.53 0.00 -0.73 -4.73 120.51 111.54 1ab7 n ALA 25 Ca -0.02 -0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 1ab7 n ALA 25 Cb 0.20 -1.82 0.10 0.00 0.00 0.00 0.00 19.45 17.93 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 -4.60 2.44 0.00 0.00 1.43 0.11 -4.97 118.68 113.08 1ab7 s LEU 26 Ca 0.02 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 1ab7 s LEU 26 Cb -0.00 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1ab7 s LEU 26 CO 0.44 -2.12 0.00 -0.81 0.23 0.00 0.00 176.35 174.08 1ab7 n PRO 27 N -3.52 0.77 -0.07 1.29 -0.04 -1.26 -4.89 135.00 127.28 1ab7 n PRO 27 Ca 0.07 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.42 1ab7 n PRO 27 Cb 0.57 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.00 0.00 0.54 4.81 -2.00 -3.26 114.58 114.68 1ab7 h GLU 28 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ab7 h GLU 28 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ab7 h GLU 28 CO 0.00 0.76 0.05 2.48 -0.73 0.00 0.00 179.01 181.57 1ab7 n TYR 29 N -4.65 0.59 -1.14 0.92 0.18 -1.26 -4.76 117.16 107.03 1ab7 n TYR 29 Ca -0.08 0.31 -0.40 0.00 1.88 0.00 0.00 57.90 59.61 1ab7 n TYR 29 Cb 0.37 -0.96 -0.03 0.00 -0.38 0.00 0.00 39.34 38.34 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 -2.12 -0.24 -0.25 -3.48 9.36 -1.23 -4.94 117.16 114.26 1ab7 n TYR 30 Ca -0.01 0.80 0.00 0.00 3.32 0.00 0.00 57.90 62.00 1ab7 n TYR 30 Cb 0.08 -1.60 0.00 0.00 -0.63 0.00 0.00 39.34 37.19 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 1.55 1.27 2.65 2.98 0.00 -1.26 -5.04 105.19 107.33 1ab7 n GLY 31 Ca 0.15 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 1ab7 n GLY 31 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ab7 n GLU 32 N 0.00 1.11 -0.95 1.61 0.28 -1.26 -4.93 120.64 116.50 1ab7 n GLU 32 Ca 0.00 -2.23 0.00 0.00 -0.16 0.00 0.00 57.16 54.77 1ab7 n GLU 32 Cb 0.00 -0.72 0.00 0.00 1.43 0.00 0.00 31.44 32.15 1ab7 n GLU 32 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1ab7 n ASN 33 N -0.11 0.00 0.00 -1.84 2.04 -1.26 -4.94 115.26 109.16 1ab7 n ASN 33 Ca 0.05 -0.77 0.10 0.00 -0.44 0.00 0.00 54.58 53.52 1ab7 n ASN 33 Cb 0.77 0.00 0.46 0.00 -2.53 0.00 0.00 39.78 38.48 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 0.00 -0.06 -4.53 -0.00 -1.26 -2.17 117.00 108.98 1ab7 n LEU 34 Ca 0.00 0.50 -0.08 0.00 -0.00 0.00 0.00 56.01 56.43 1ab7 n LEU 34 Cb 0.00 -0.50 -0.07 0.00 -0.00 0.00 0.00 43.42 42.85 1ab7 n LEU 34 CO 0.00 -0.13 0.12 -2.24 -0.00 0.00 0.00 177.39 175.14 1ab7 h ASP 35 N 0.00 0.00 0.04 1.45 2.03 -1.96 -2.17 116.42 115.81 1ab7 h ASP 35 Ca 0.00 -0.48 -0.20 0.00 -0.73 0.00 0.00 57.03 55.62 1ab7 h ASP 35 Cb 0.37 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.87 1ab7 h ASP 35 CO 0.00 0.80 -0.74 0.00 -1.03 0.00 0.00 179.24 178.27 1ab7 h ALA 36 N -0.52 0.46 0.32 4.15 0.00 -1.94 -0.17 119.26 121.55 1ab7 h ALA 36 Ca -0.02 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1ab7 h ALA 36 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ab7 h ALA 36 CO -0.01 0.72 -0.15 1.25 0.00 0.00 0.00 179.25 181.05 1ab7 h LEU 37 N 0.42 -0.36 -0.90 0.00 5.85 -1.60 0.20 115.31 118.92 1ab7 h LEU 37 Ca -0.04 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.62 1ab7 h LEU 37 Cb 1.35 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.40 1ab7 h LEU 37 CO 0.14 -0.04 0.55 -0.25 -0.34 0.00 0.00 178.44 178.51 1ab7 h TRP 38 N -0.71 1.01 0.00 1.25 -0.00 -1.43 0.53 115.95 116.61 1ab7 h TRP 38 Ca -0.04 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.86 1ab7 h TRP 38 Cb 0.49 -0.32 -0.00 0.00 -0.00 0.00 0.00 29.16 29.32 1ab7 h TRP 38 CO 0.01 0.47 -0.08 -0.44 -0.00 0.00 0.00 178.44 178.40 1ab7 h ASP 39 N 0.96 0.00 0.00 2.65 5.19 -0.68 -1.13 116.42 123.40 1ab7 h ASP 39 Ca 0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 1ab7 h ASP 39 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1ab7 h ASP 39 CO -0.21 0.08 0.00 0.00 -3.12 0.00 0.00 179.24 175.99 1ab7 n ALA 40 N -2.52 0.00 -0.33 3.45 0.00 0.15 -3.80 120.51 117.46 1ab7 n ALA 40 Ca -0.03 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.46 1ab7 n ALA 40 Cb 0.16 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.83 -0.29 -1.80 0.00 4.77 0.68 0.23 117.00 118.77 1ab7 n LEU 41 Ca 0.00 1.59 -0.08 0.00 -0.03 0.00 0.00 56.01 57.48 1ab7 n LEU 41 Cb 0.00 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.54 1ab7 n LEU 41 CO 0.00 -1.54 1.28 0.35 -1.33 0.00 0.00 177.39 176.15 1ab7 n THR 42 N -5.48 2.54 0.00 -5.08 -2.24 -0.43 -4.06 114.28 99.53 1ab7 n THR 42 Ca 0.16 -1.18 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 1ab7 n THR 42 Cb 0.51 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 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 1.63 0.00 1.22 3.38 0.00 0.39 -4.89 105.19 106.90 1ab7 n GLY 43 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.52 -1.48 1.61 -0.00 0.64 -4.78 117.44 111.91 1ab7 n TRP 44 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.20 1ab7 n TRP 44 Cb 0.00 0.30 0.11 0.00 -0.00 0.00 0.00 31.31 31.72 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 -1.77 2.83 -0.17 5.87 1.01 -1.14 -4.94 120.40 122.09 1ab7 s VAL 45 Ca 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 1ab7 s VAL 45 Cb 0.00 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1ab7 s VAL 45 CO 0.00 -0.35 -0.06 -1.61 0.00 0.00 0.00 175.10 173.08 1ab7 s GLU 46 N -5.13 3.52 0.26 2.72 2.02 -1.26 -4.94 118.70 115.89 1ab7 s GLU 46 Ca 0.62 -0.59 0.07 0.00 0.02 0.00 0.00 54.97 55.09 1ab7 s GLU 46 Cb -0.15 -2.90 -0.03 0.00 0.10 0.00 0.00 34.13 31.15 1ab7 s GLU 46 CO 0.55 0.09 0.24 0.71 0.02 0.00 0.00 175.26 176.87 1ab7 s TYR 47 N 0.75 3.18 0.33 1.61 2.02 -1.26 -2.13 117.35 121.85 1ab7 s TYR 47 Ca -0.02 -0.10 -0.28 0.00 -0.37 0.00 0.00 57.07 56.30 1ab7 s TYR 47 Cb -0.15 -1.47 -0.09 0.00 -0.40 0.00 0.00 41.96 39.85 1ab7 s TYR 47 CO 0.02 0.47 1.15 -1.25 -1.57 0.00 0.00 175.55 174.37 1ab7 s PRO 48 N -3.89 4.39 -0.06 -1.71 0.04 -1.26 -4.73 135.00 127.79 1ab7 s PRO 48 Ca 0.34 1.87 0.03 0.00 0.04 0.00 0.00 61.00 63.27 1ab7 s PRO 48 Cb -0.08 -2.97 -0.02 0.00 0.04 0.00 0.00 34.50 31.46 1ab7 s PRO 48 CO 0.26 -0.03 -0.14 -1.17 0.04 0.00 0.00 177.00 175.96 1ab7 s LEU 49 N -1.90 2.74 -0.48 -3.56 2.96 -0.20 -1.14 118.68 117.10 1ab7 s LEU 49 Ca 0.50 -0.21 -0.14 0.00 -0.22 0.00 0.00 54.13 54.06 1ab7 s LEU 49 Cb -0.32 -1.56 0.09 0.00 0.50 0.00 0.00 46.19 44.90 1ab7 s LEU 49 CO 0.41 0.33 0.39 -0.69 -1.32 0.00 0.00 176.35 175.47 1ab7 s VAL 50 N -0.61 4.93 -1.39 1.68 1.01 -0.33 0.01 120.40 125.71 1ab7 s VAL 50 Ca 0.09 -1.32 -0.13 0.00 0.00 0.00 0.00 61.98 60.63 1ab7 s VAL 50 Cb -0.11 -4.04 0.09 0.00 0.00 0.00 0.00 36.38 32.31 1ab7 s VAL 50 CO 0.01 -0.66 2.08 -0.11 0.00 0.00 0.00 175.10 176.42 1ab7 n LEU 51 N 5.13 6.68 -4.57 3.92 7.94 -0.36 0.54 117.00 136.28 1ab7 n LEU 51 Ca -0.12 -4.30 -0.23 0.00 -1.11 0.00 0.00 56.01 50.25 1ab7 n LEU 51 Cb 0.42 -1.60 -0.07 0.00 0.53 0.00 0.00 43.42 42.70 1ab7 n LEU 51 CO 0.47 1.15 1.33 -0.70 -1.11 0.00 0.00 177.39 178.53 1ab7 s GLU 52 N 2.30 2.10 -0.03 1.96 2.12 0.05 -1.53 118.70 125.67 1ab7 s GLU 52 Ca 0.45 -0.54 -0.30 0.00 0.36 0.00 0.00 54.97 54.94 1ab7 s GLU 52 Cb 0.12 -5.07 -0.02 0.00 0.26 0.00 0.00 34.13 29.41 1ab7 s GLU 52 CO -0.05 -4.21 0.99 -0.46 -0.54 0.00 0.00 175.26 170.99 1ab7 s TRP 53 N 12.59 3.61 0.00 5.30 -0.11 -1.26 -1.46 118.94 137.62 1ab7 s TRP 53 Ca 0.75 1.66 0.00 0.00 1.22 0.00 0.00 56.10 59.73 1ab7 s TRP 53 Cb -0.05 -3.14 0.00 0.00 -1.50 0.00 0.00 33.47 28.78 1ab7 s TRP 53 CO 0.10 -0.09 0.00 0.54 -4.62 0.00 0.00 176.95 172.88 1ab7 n ARG 54 N 4.24 -0.87 -0.47 5.86 5.12 0.04 -2.62 116.66 127.97 1ab7 n ARG 54 Ca 0.07 0.00 0.41 0.00 -1.93 0.00 0.00 57.85 56.40 1ab7 n ARG 54 Cb 0.50 0.00 0.64 0.00 -1.16 0.00 0.00 32.46 32.44 1ab7 n ARG 54 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 1ab7 h GLN 55 N 0.00 0.00 0.00 5.56 1.08 -1.93 -3.27 115.11 116.55 1ab7 h GLN 55 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ab7 h GLN 55 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1ab7 h GLN 55 CO 0.00 0.00 0.00 0.34 -0.95 0.00 0.00 178.83 178.22 1ab7 n PHE 56 N -3.60 0.00 -0.49 2.96 7.35 -1.26 -4.48 117.46 117.95 1ab7 n PHE 56 Ca 0.34 0.00 0.42 0.00 -0.76 0.00 0.00 57.45 57.45 1ab7 n PHE 56 Cb 1.78 0.00 0.68 0.00 0.35 0.00 0.00 39.48 42.29 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 0.56 -4.13 5.08 -1.95 0.41 114.58 114.54 1ab7 h GLU 57 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ab7 h GLU 57 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1ab7 h GLU 57 CO 0.00 0.00 -0.49 -0.56 -1.00 0.00 0.00 179.01 176.96 1ab7 h GLN 58 N 0.00 -0.99 -0.01 2.33 3.07 -1.94 -2.48 115.11 115.08 1ab7 h GLN 58 Ca 0.74 0.07 0.00 0.00 0.09 0.00 0.00 58.65 59.55 1ab7 h GLN 58 Cb 3.32 0.23 0.00 0.00 0.08 0.00 0.00 27.48 31.11 1ab7 h GLN 58 CO -0.01 -0.66 -0.06 -1.13 0.09 0.00 0.00 178.83 177.06 1ab7 n SER 59 N -5.47 1.41 0.14 0.06 3.41 -0.03 -3.85 113.62 109.28 1ab7 n SER 59 Ca -0.12 -1.36 0.06 0.00 -0.26 0.00 0.00 58.87 57.19 1ab7 n SER 59 Cb 0.46 0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.49 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 2.11 0.00 0.00 4.33 3.64 -0.79 -3.37 116.57 122.50 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 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1ab7 h LYS 60 CO 0.00 0.22 -0.01 0.37 -2.27 0.00 0.00 179.45 177.77 1ab7 h GLN 61 N 0.00 0.00 -1.12 1.90 4.15 -1.56 -3.32 115.11 115.16 1ab7 h GLN 61 Ca -0.03 0.00 0.32 0.00 0.77 0.00 0.00 58.65 59.71 1ab7 h GLN 61 Cb 1.24 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.88 1ab7 h GLN 61 CO 0.03 0.00 1.16 1.47 -1.93 0.00 0.00 178.83 179.56 1ab7 n LEU 62 N -3.23 0.00 0.00 -2.39 -0.00 -1.26 -4.26 117.00 105.85 1ab7 n LEU 62 Ca -0.00 0.74 0.00 0.00 -0.00 0.00 0.00 56.01 56.75 1ab7 n LEU 62 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 1ab7 n LEU 62 CO 0.00 -0.74 0.00 1.07 -0.00 0.00 0.00 177.39 177.72 1ab7 n THR 63 N -3.21 0.00 -3.14 1.47 5.66 -1.25 -4.88 114.28 108.94 1ab7 n THR 63 Ca 0.25 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.30 1ab7 n THR 63 Cb 1.50 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 70.28 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 4.16 0.33 0.00 1.09 -1.05 -1.26 -4.89 118.70 117.09 1ab7 s GLU 64 Ca 0.00 0.29 0.00 0.00 -0.15 0.00 0.00 54.97 55.11 1ab7 s GLU 64 Cb 0.00 0.14 0.00 0.00 -0.44 0.00 0.00 34.13 33.83 1ab7 s GLU 64 CO 0.00 -0.61 0.00 0.09 0.95 0.00 0.00 175.26 175.69 1ab7 n ASN 65 N 5.17 0.00 0.18 0.83 5.03 -1.26 -4.90 115.26 120.31 1ab7 n ASN 65 Ca 0.08 0.00 -0.07 0.00 0.87 0.00 0.00 54.58 55.45 1ab7 n ASN 65 Cb 0.56 -0.06 -0.03 0.00 -1.02 0.00 0.00 39.78 39.23 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1ab7 h GLY 66 N 0.00 -0.49 1.29 7.41 0.00 -1.90 0.13 103.07 109.51 1ab7 h GLY 66 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 1ab7 h GLY 66 CO 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 176.54 176.49 1ab7 h ALA 67 N -1.76 1.16 0.00 3.60 0.00 -1.89 -1.20 119.26 119.17 1ab7 h ALA 67 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ab7 h ALA 67 Cb 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ab7 h ALA 67 CO 0.08 0.57 0.00 0.39 0.00 0.00 0.00 179.25 180.29 1ab7 n GLU 68 N -4.26 0.13 -0.07 0.00 -0.58 -1.19 -1.96 120.64 112.71 1ab7 n GLU 68 Ca 0.04 0.47 -0.05 0.00 -0.42 0.00 0.00 57.16 57.19 1ab7 n GLU 68 Cb 0.24 -1.81 -0.02 0.00 -0.57 0.00 0.00 31.44 29.27 1ab7 n GLU 68 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1ab7 h SER 69 N 0.00 0.00 -0.71 1.62 0.02 0.52 -0.77 113.55 114.23 1ab7 h SER 69 Ca 0.00 -0.03 0.21 0.00 -0.84 0.00 0.00 61.79 61.13 1ab7 h SER 69 Cb 0.21 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1ab7 h SER 69 CO 0.00 0.79 0.63 0.58 -1.14 0.00 0.00 176.83 177.69 1ab7 h VAL 70 N -1.00 0.40 0.10 2.27 2.07 -1.50 0.26 116.25 118.86 1ab7 h VAL 70 Ca -0.02 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.35 1ab7 h VAL 70 Cb 0.54 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1ab7 h VAL 70 CO -0.01 0.00 -0.66 0.25 0.02 0.00 0.00 177.57 177.17 1ab7 h LEU 71 N 0.00 0.33 -1.99 2.57 5.85 -1.50 -0.53 115.31 120.04 1ab7 h LEU 71 Ca 0.34 -0.95 0.21 0.00 0.84 0.00 0.00 57.88 58.32 1ab7 h LEU 71 Cb 1.59 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 1ab7 h LEU 71 CO -0.00 1.31 0.53 1.56 -0.34 0.00 0.00 178.44 181.49 1ab7 h GLN 72 N -0.55 0.01 0.05 1.25 4.20 0.10 -0.48 115.11 119.70 1ab7 h GLN 72 Ca -0.12 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.46 1ab7 h GLN 72 Cb 1.48 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.25 1ab7 h GLN 72 CO 0.10 0.01 -0.62 0.28 -0.67 0.00 0.00 178.83 177.92 1ab7 h VAL 73 N 0.01 1.47 -0.28 -0.54 2.07 -1.23 -0.72 116.25 117.03 1ab7 h VAL 73 Ca 0.35 -2.38 0.07 0.00 0.82 0.00 0.00 66.70 65.56 1ab7 h VAL 73 Cb 1.39 3.06 -0.08 0.00 -1.52 0.00 0.00 31.29 34.15 1ab7 h VAL 73 CO -0.01 0.60 -0.28 -0.26 0.02 0.00 0.00 177.57 177.65 1ab7 h PHE 74 N -0.73 -0.76 -0.78 1.57 0.04 0.04 0.16 116.94 116.48 1ab7 h PHE 74 Ca -0.14 0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.63 1ab7 h PHE 74 Cb 1.33 0.37 -0.03 0.00 2.20 0.00 0.00 35.95 39.82 1ab7 h PHE 74 CO 0.21 -0.35 0.28 0.00 -0.60 0.00 0.00 178.31 177.85 1ab7 h ARG 75 N -0.27 1.18 -0.52 1.51 3.08 -1.26 -1.55 114.38 116.55 1ab7 h ARG 75 Ca 0.14 -0.23 0.14 0.00 0.07 0.00 0.00 59.98 60.10 1ab7 h ARG 75 Cb 0.50 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1ab7 h ARG 75 CO -0.43 0.97 0.36 0.93 -1.07 0.00 0.00 179.97 180.73 1ab7 h GLU 76 N 1.14 0.07 0.00 0.04 4.39 0.81 0.24 114.58 121.27 1ab7 h GLU 76 Ca 0.26 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 1ab7 h GLU 76 Cb 0.25 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1ab7 h GLU 76 CO -0.02 0.05 -0.00 0.00 -1.16 0.00 0.00 179.01 177.88 1ab7 h ALA 77 N 1.74 -0.00 0.00 3.43 0.00 -0.06 -1.75 119.26 122.62 1ab7 h ALA 77 Ca 0.25 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ab7 h ALA 77 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ab7 h ALA 77 CO -0.02 -0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.59 1ab7 n LYS 78 N -4.62 0.11 -0.00 0.00 -0.00 -0.67 0.82 118.16 113.80 1ab7 n LYS 78 Ca -0.10 0.58 -0.00 0.00 -0.00 0.00 0.00 58.31 58.79 1ab7 n LYS 78 Cb 0.46 -1.84 -0.00 0.00 -0.00 0.00 0.00 35.03 33.65 1ab7 n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ab7 h ALA 79 N 2.04 0.00 0.00 0.58 0.00 -0.50 -3.43 119.26 117.95 1ab7 h ALA 79 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1ab7 h ALA 79 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ab7 h ALA 79 CO 0.00 0.00 -0.16 0.93 0.00 0.00 0.00 179.25 180.02 1ab7 h GLU 80 N -0.00 -0.19 0.00 0.00 5.08 -1.27 -3.44 114.58 114.75 1ab7 h GLU 80 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ab7 h GLU 80 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1ab7 h GLU 80 CO 0.00 -0.13 0.00 0.41 -1.00 0.00 0.00 179.01 178.29 1ab7 n GLY 81 N -1.14 0.12 3.24 -3.84 0.00 -0.92 -5.10 105.19 97.56 1ab7 n GLY 81 Ca -0.02 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.12 -3.15 -2.61 4.61 0.00 0.24 -4.84 120.51 113.63 1ab7 n ALA 82 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 1ab7 n ALA 82 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 2.51 6.30 -4.37 0.00 -0.08 -1.26 -3.61 116.55 116.04 1ab7 n ASP 83 Ca 0.08 -3.71 -0.41 0.00 -1.51 0.00 0.00 54.79 49.23 1ab7 n ASP 83 Cb 0.48 -0.91 -0.11 0.00 2.34 0.00 0.00 41.12 42.92 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 -4.59 4.64 -0.58 5.18 1.01 -1.26 -1.04 121.20 124.57 1ab7 s ILE 84 Ca 0.45 -0.93 -0.28 0.00 0.00 0.00 0.00 60.65 59.89 1ab7 s ILE 84 Cb 0.27 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 39.13 1ab7 s ILE 84 CO -0.18 -0.30 1.27 -0.89 0.00 0.00 0.00 174.94 174.83 1ab7 s THR 85 N 1.55 3.94 0.19 2.92 2.01 0.10 -4.41 115.64 121.95 1ab7 s THR 85 Ca 0.02 0.82 -0.30 0.00 0.31 0.00 0.00 61.69 62.55 1ab7 s THR 85 Cb -0.20 -4.64 -0.08 0.00 0.01 0.00 0.00 72.50 67.59 1ab7 s THR 85 CO 0.06 -1.29 0.95 -0.63 -0.69 0.00 0.00 174.62 173.02 1ab7 s ILE 86 N 5.31 4.21 0.00 1.82 1.09 -1.26 -1.23 121.20 131.14 1ab7 s ILE 86 Ca 0.46 2.07 0.00 0.00 -1.10 0.00 0.00 60.65 62.08 1ab7 s ILE 86 Cb -0.09 -4.32 0.00 0.00 -1.06 0.00 0.00 42.46 36.99 1ab7 s ILE 86 CO 0.25 0.43 0.00 -0.38 -0.10 0.00 0.00 174.94 175.14 1ab7 n ILE 87 N 1.95 0.00 -2.37 2.92 -0.00 -0.58 -4.90 119.36 116.38 1ab7 n ILE 87 Ca -0.00 0.38 -0.05 0.00 -0.00 0.00 0.00 62.75 63.07 1ab7 n ILE 87 Cb 0.48 -1.29 0.01 0.00 -0.00 0.00 0.00 39.64 38.83 1ab7 n ILE 87 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1ab7 n LEU 88 N -2.03 -5.87 0.00 1.39 4.77 -1.25 -4.89 117.00 109.12 1ab7 n LEU 88 Ca 0.00 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1ab7 n LEU 88 Cb 0.00 -2.56 0.00 0.00 -2.33 0.00 0.00 43.42 38.53 1ab7 n LEU 88 CO 0.00 -1.56 0.21 -0.24 -1.33 0.00 0.00 177.39 174.47