#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 0.68 0.36 1.64 2.20 -1.26 0.16 119.74 123.52 1ab7 s LYS 2 Ca 0.00 -1.10 -0.14 0.00 -0.36 0.00 0.00 55.97 54.37 1ab7 s LYS 2 Cb 0.00 -1.86 -0.08 0.00 -1.51 0.00 0.00 37.83 34.38 1ab7 s LYS 2 CO 0.00 -1.02 0.76 0.00 -0.36 0.00 0.00 175.35 174.73 1ab7 s ALA 3 N 1.53 3.31 -0.08 3.13 0.00 0.22 -4.84 121.76 125.03 1ab7 s ALA 3 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 1ab7 s ALA 3 Cb -0.18 -2.77 0.05 0.00 0.00 0.00 0.00 23.12 20.21 1ab7 s ALA 3 CO -0.23 0.20 0.16 0.08 0.00 0.00 0.00 175.76 175.98 1ab7 s VAL 4 N -2.13 -0.22 -0.30 0.00 1.01 -1.26 -0.80 120.40 116.70 1ab7 s VAL 4 Ca 0.54 0.31 -0.14 0.00 0.00 0.00 0.00 61.98 62.68 1ab7 s VAL 4 Cb -0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 1ab7 s VAL 4 CO 0.22 0.13 0.33 -0.63 0.00 0.00 0.00 175.10 175.14 1ab7 s ILE 5 N 2.02 5.20 -0.66 2.22 -1.09 -0.43 -4.91 121.20 123.55 1ab7 s ILE 5 Ca -0.00 0.24 -0.05 0.00 -2.23 0.00 0.00 60.65 58.60 1ab7 s ILE 5 Cb -0.12 -3.72 0.17 0.00 -1.58 0.00 0.00 42.46 37.22 1ab7 s ILE 5 CO -0.06 0.07 0.50 0.20 -1.23 0.00 0.00 174.94 174.42 1ab7 s ASN 6 N 1.71 5.57 0.00 3.58 -0.87 -1.26 -0.26 114.94 123.41 1ab7 s ASN 6 Ca 0.12 -2.78 0.12 0.00 -1.57 0.00 0.00 52.86 48.74 1ab7 s ASN 6 Cb -0.16 -1.93 0.54 0.00 -0.02 0.00 0.00 41.25 39.68 1ab7 s ASN 6 CO 0.11 -0.42 1.35 0.61 -2.57 0.00 0.00 177.10 176.18 1ab7 n GLY 7 N 3.64 -0.83 0.18 0.66 0.00 -1.23 -1.69 105.19 105.92 1ab7 n GLY 7 Ca 0.08 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.89 -3.23 114.58 115.63 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 0.17 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1ab7 h GLU 8 CO 0.00 0.00 -1.02 0.94 -1.18 0.00 0.00 179.01 177.75 1ab7 n GLN 9 N -2.64 0.35 -1.74 1.92 7.27 -0.68 -4.96 117.38 116.90 1ab7 n GLN 9 Ca 0.03 -0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.69 1ab7 n GLN 9 Cb 0.35 -1.01 -0.03 0.00 2.41 0.00 0.00 30.24 31.96 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 -2.03 3.16 0.07 1.69 -1.09 -0.68 -4.80 121.20 117.52 1ab7 s ILE 10 Ca -0.00 0.15 -0.17 0.00 -2.23 0.00 0.00 60.65 58.40 1ab7 s ILE 10 Cb 0.00 -3.27 -0.14 0.00 -1.58 0.00 0.00 42.46 37.47 1ab7 s ILE 10 CO 0.02 -0.21 1.32 0.03 -1.23 0.00 0.00 174.94 174.86 1ab7 h ARG 11 N 15.69 0.58 -3.89 2.79 3.08 -1.92 -3.43 114.38 127.28 1ab7 h ARG 11 Ca -0.33 -0.38 -0.14 0.00 0.07 0.00 0.00 59.98 59.20 1ab7 h ARG 11 Cb 1.22 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 31.23 1ab7 h ARG 11 CO 1.06 1.00 -0.20 0.45 -1.07 0.00 0.00 179.97 181.21 1ab7 s SER 12 N -6.58 0.21 0.66 7.04 0.15 -1.26 -4.81 113.70 109.11 1ab7 s SER 12 Ca -0.13 -1.15 0.30 0.00 0.70 0.00 0.00 55.95 55.67 1ab7 s SER 12 Cb 0.07 0.58 1.60 0.00 -1.71 0.00 0.00 66.02 66.56 1ab7 s SER 12 CO 0.82 -1.15 1.91 -0.29 1.20 0.00 0.00 173.24 175.73 1ab7 h ILE 13 N 2.26 0.05 -0.50 6.45 6.09 -1.91 0.12 117.51 130.07 1ab7 h ILE 13 Ca -0.28 0.00 0.06 0.00 -1.37 0.00 0.00 64.86 63.27 1ab7 h ILE 13 Cb 1.25 0.66 -0.05 0.00 0.47 0.00 0.00 36.82 39.14 1ab7 h ILE 13 CO 0.39 0.00 0.20 -1.28 -3.07 0.00 0.00 178.15 174.39 1ab7 h SER 14 N 0.00 0.22 1.08 2.19 0.87 -1.97 0.19 113.55 116.14 1ab7 h SER 14 Ca 0.02 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1ab7 h SER 14 Cb 0.73 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1ab7 h SER 14 CO -0.00 0.16 -0.05 0.44 -0.53 0.00 0.00 176.83 176.85 1ab7 h ASP 15 N 0.39 0.00 0.39 6.23 5.19 -1.36 -3.10 116.42 124.16 1ab7 h ASP 15 Ca 0.24 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.63 1ab7 h ASP 15 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1ab7 h ASP 15 CO -0.22 0.05 -0.19 0.25 -3.12 0.00 0.00 179.24 176.00 1ab7 h LEU 16 N 0.00 -0.45 -1.96 1.55 5.85 -0.60 -0.34 115.31 119.36 1ab7 h LEU 16 Ca -0.00 -0.13 0.18 0.00 0.84 0.00 0.00 57.88 58.77 1ab7 h LEU 16 Cb 0.60 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1ab7 h LEU 16 CO 0.01 -0.06 0.53 0.45 -0.34 0.00 0.00 178.44 179.02 1ab7 h HIS 17 N -0.91 0.00 0.09 1.25 3.86 -1.19 0.37 115.15 118.63 1ab7 h HIS 17 Ca -0.05 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.90 1ab7 h HIS 17 Cb 0.55 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 1ab7 h HIS 17 CO 0.02 0.00 -1.20 1.96 0.86 0.00 0.00 177.93 179.57 1ab7 h GLN 18 N 0.00 0.19 -0.14 2.45 4.20 -1.41 -0.33 115.11 120.08 1ab7 h GLN 18 Ca 0.29 -0.33 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 1ab7 h GLN 18 Cb 1.34 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.23 1ab7 h GLN 18 CO -0.00 1.15 -0.53 1.15 -0.67 0.00 0.00 178.83 179.92 1ab7 h THR 19 N 0.05 1.34 0.17 -0.54 2.02 0.15 0.40 112.91 116.49 1ab7 h THR 19 Ca -0.11 -1.80 -0.30 0.00 0.77 0.00 0.00 66.41 64.97 1ab7 h THR 19 Cb 1.92 1.82 0.01 0.00 -1.74 0.00 0.00 68.15 70.16 1ab7 h THR 19 CO 0.18 0.55 -1.40 -0.07 0.37 0.00 0.00 175.52 175.15 1ab7 h LEU 20 N 0.30 0.55 -1.39 2.58 3.38 -1.27 -1.45 115.31 118.01 1ab7 h LEU 20 Ca 0.01 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1ab7 h LEU 20 Cb 1.03 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1ab7 h LEU 20 CO 0.09 1.50 -0.06 0.50 0.09 0.00 0.00 178.44 180.56 1ab7 h LYS 21 N 0.10 0.00 0.08 1.13 3.64 -0.89 0.98 116.57 121.61 1ab7 h LYS 21 Ca -0.20 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 58.91 1ab7 h LYS 21 Cb 2.05 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.85 1ab7 h LYS 21 CO 0.21 0.06 -1.42 -0.22 -2.27 0.00 0.00 179.45 175.82 1ab7 h LYS 22 N 0.00 0.18 0.08 1.90 3.64 -0.12 -1.76 116.57 120.48 1ab7 h LYS 22 Ca -0.00 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1ab7 h LYS 22 Cb 0.56 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1ab7 h LYS 22 CO 0.01 1.14 -0.04 0.93 -2.27 0.00 0.00 179.45 179.22 1ab7 h GLU 23 N -0.44 -0.10 0.00 1.90 4.39 -1.20 -3.20 114.58 115.92 1ab7 h GLU 23 Ca -0.32 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.36 1ab7 h GLU 23 Cb 1.66 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.33 1ab7 h GLU 23 CO -0.01 0.43 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.09 1ab7 h LEU 24 N -0.90 0.00 -2.03 1.33 3.38 -1.02 -3.47 115.31 112.60 1ab7 h LEU 24 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1ab7 h LEU 24 Cb 0.58 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.40 1ab7 h LEU 24 CO 0.02 0.12 -0.32 0.00 0.09 0.00 0.00 178.44 178.35 1ab7 n ALA 25 N -2.27 -0.90 -1.81 1.53 0.00 -1.01 -4.72 120.51 111.33 1ab7 n ALA 25 Ca -0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 1ab7 n ALA 25 Cb 0.24 -1.53 0.06 0.00 0.00 0.00 0.00 19.45 18.22 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 -3.79 2.84 0.00 0.00 1.43 -0.70 -5.01 118.68 113.45 1ab7 s LEU 26 Ca 0.03 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 1ab7 s LEU 26 Cb -0.00 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 42.29 1ab7 s LEU 26 CO 0.29 -1.48 0.00 -0.81 0.23 0.00 0.00 176.35 174.58 1ab7 n PRO 27 N -3.10 0.21 0.03 1.29 -0.04 -1.26 -4.92 135.00 127.21 1ab7 n PRO 27 Ca 0.07 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.33 1ab7 n PRO 27 Cb 0.57 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.89 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 0.26 0.00 0.54 4.57 -2.00 -3.24 114.58 114.71 1ab7 h GLU 28 Ca 0.00 -0.45 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1ab7 h GLU 28 Cb 0.00 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1ab7 h GLU 28 CO 0.00 1.22 0.00 2.48 -1.18 0.00 0.00 179.01 181.53 1ab7 n TYR 29 N -4.16 0.00 -0.90 0.92 0.18 -1.26 -4.83 117.16 107.12 1ab7 n TYR 29 Ca -0.15 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.25 1ab7 n TYR 29 Cb 0.80 -0.25 -0.06 0.00 -0.38 0.00 0.00 39.34 39.44 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 -1.25 0.88 0.04 -3.48 9.36 -1.23 -4.70 117.16 116.77 1ab7 n TYR 30 Ca 0.07 0.58 0.19 0.00 3.32 0.00 0.00 57.90 62.05 1ab7 n TYR 30 Cb 0.10 -1.33 0.69 0.00 -0.63 0.00 0.00 39.34 38.17 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 4.03 0.00 -3.83 2.98 0.00 -1.89 -3.45 103.07 100.91 1ab7 h GLY 31 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.92 1ab7 h GLY 31 CO 0.61 0.00 -0.40 1.18 0.00 0.00 0.00 176.54 177.92 1ab7 n GLU 32 N -4.36 -4.66 -1.19 4.80 1.02 -1.26 -4.92 120.64 110.07 1ab7 n GLU 32 Ca 0.08 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1ab7 n GLU 32 Cb 0.54 -4.53 0.00 0.00 -0.02 0.00 0.00 31.44 27.43 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 -1.17 0.00 0.16 1.62 0.23 -1.26 -4.90 115.26 109.93 1ab7 n ASN 33 Ca 0.00 -0.77 0.13 0.00 -0.53 0.00 0.00 54.58 53.41 1ab7 n ASN 33 Cb 0.54 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.67 1ab7 n ASN 33 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 1ab7 h LEU 34 N 0.00 0.00 0.00 -4.53 -0.00 -1.93 -0.67 115.31 108.17 1ab7 h LEU 34 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1ab7 h LEU 34 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1ab7 h LEU 34 CO 0.00 0.00 -0.11 -2.24 -0.00 0.00 0.00 178.44 176.09 1ab7 h ASP 35 N 0.00 0.00 0.49 0.17 2.03 -1.97 -1.51 116.42 115.64 1ab7 h ASP 35 Ca 0.00 -0.77 -0.20 0.00 -0.73 0.00 0.00 57.03 55.33 1ab7 h ASP 35 Cb 0.64 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.13 1ab7 h ASP 35 CO 0.00 0.95 -0.85 0.00 -1.03 0.00 0.00 179.24 178.31 1ab7 h ALA 36 N -0.23 0.53 0.13 4.15 0.00 -1.92 -0.06 119.26 121.87 1ab7 h ALA 36 Ca -0.03 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 1ab7 h ALA 36 Cb 0.84 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ab7 h ALA 36 CO -0.02 0.87 -0.06 1.25 0.00 0.00 0.00 179.25 181.29 1ab7 h LEU 37 N 0.15 -0.14 -1.03 0.00 5.85 -1.26 0.31 115.31 119.18 1ab7 h LEU 37 Ca -0.04 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.38 1ab7 h LEU 37 Cb 1.46 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.47 1ab7 h LEU 37 CO 0.13 0.28 0.65 -0.25 -0.34 0.00 0.00 178.44 178.91 1ab7 h TRP 38 N -0.59 1.21 0.00 1.25 -0.00 -1.30 0.38 115.95 116.90 1ab7 h TRP 38 Ca -0.02 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 58.86 1ab7 h TRP 38 Cb 0.46 -0.41 -0.01 0.00 -0.00 0.00 0.00 29.16 29.21 1ab7 h TRP 38 CO 0.06 0.70 -0.19 -0.44 -0.00 0.00 0.00 178.44 178.57 1ab7 h ASP 39 N 1.26 0.00 0.00 2.65 3.32 -0.76 -1.13 116.42 121.76 1ab7 h ASP 39 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1ab7 h ASP 39 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1ab7 h ASP 39 CO -0.12 0.19 0.00 0.00 -1.72 0.00 0.00 179.24 177.59 1ab7 n ALA 40 N -2.41 0.00 -0.36 3.45 0.00 0.11 -3.57 120.51 117.73 1ab7 n ALA 40 Ca -0.02 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.44 1ab7 n ALA 40 Cb 0.27 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.85 -0.43 -1.91 0.00 4.77 0.65 0.26 117.00 118.49 1ab7 n LEU 41 Ca 0.00 1.68 -0.11 0.00 -0.03 0.00 0.00 56.01 57.55 1ab7 n LEU 41 Cb 0.00 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.54 1ab7 n LEU 41 CO 0.00 -1.59 1.37 0.35 -1.33 0.00 0.00 177.39 176.20 1ab7 n THR 42 N -5.55 2.72 0.00 -5.08 -2.24 -0.43 -4.05 114.28 99.65 1ab7 n THR 42 Ca 0.14 -1.46 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 1ab7 n THR 42 Cb 0.46 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 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 1.65 0.00 1.58 3.38 0.00 0.33 -4.86 105.19 107.27 1ab7 n GLY 43 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.20 -0.87 1.61 -0.00 0.72 -4.73 117.44 110.98 1ab7 n TRP 44 Ca 0.00 0.71 -0.29 0.00 -0.00 0.00 0.00 57.50 57.92 1ab7 n TRP 44 Cb 0.00 2.00 0.19 0.00 -0.00 0.00 0.00 31.31 33.50 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 -2.00 2.26 -0.20 5.87 1.01 -1.08 -4.95 120.40 121.31 1ab7 s VAL 45 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1ab7 s VAL 45 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1ab7 s VAL 45 CO 0.00 -0.11 -0.10 -1.61 0.00 0.00 0.00 175.10 173.28 1ab7 s GLU 46 N -4.71 3.25 0.28 2.72 2.02 -1.26 -4.93 118.70 116.07 1ab7 s GLU 46 Ca 0.66 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 55.00 1ab7 s GLU 46 Cb -0.21 -2.85 -0.03 0.00 0.10 0.00 0.00 34.13 31.14 1ab7 s GLU 46 CO 0.60 -0.18 0.43 0.71 0.02 0.00 0.00 175.26 176.84 1ab7 s TYR 47 N 1.36 3.41 0.26 1.61 2.02 -1.26 -1.00 117.35 123.74 1ab7 s TYR 47 Ca 0.05 0.04 -0.30 0.00 -0.37 0.00 0.00 57.07 56.49 1ab7 s TYR 47 Cb -0.14 -1.72 -0.09 0.00 -0.40 0.00 0.00 41.96 39.61 1ab7 s TYR 47 CO -0.06 0.28 1.23 -1.25 -1.57 0.00 0.00 175.55 174.18 1ab7 s PRO 48 N -4.10 4.47 0.28 -1.71 0.04 -1.26 -4.74 135.00 127.98 1ab7 s PRO 48 Ca 0.37 1.99 0.08 0.00 0.04 0.00 0.00 61.00 63.49 1ab7 s PRO 48 Cb -0.09 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1ab7 s PRO 48 CO 0.31 -0.07 0.11 -1.17 0.04 0.00 0.00 177.00 176.22 1ab7 s LEU 49 N -0.98 3.41 -0.35 -3.56 2.96 -0.35 0.10 118.68 119.92 1ab7 s LEU 49 Ca 0.50 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1ab7 s LEU 49 Cb -0.35 -1.94 0.10 0.00 0.50 0.00 0.00 46.19 44.50 1ab7 s LEU 49 CO 0.43 -0.11 0.09 -0.69 -1.32 0.00 0.00 176.35 174.75 1ab7 s VAL 50 N -2.29 1.80 -1.40 1.68 1.01 0.12 -0.84 120.40 120.48 1ab7 s VAL 50 Ca 0.34 -2.12 -0.11 0.00 0.00 0.00 0.00 61.98 60.09 1ab7 s VAL 50 Cb -0.06 -2.33 0.08 0.00 0.00 0.00 0.00 36.38 34.07 1ab7 s VAL 50 CO 0.22 -0.65 2.18 -0.11 0.00 0.00 0.00 175.10 176.74 1ab7 n LEU 51 N 4.33 7.04 -4.57 3.92 7.94 0.16 0.73 117.00 136.55 1ab7 n LEU 51 Ca 0.02 -4.39 -0.23 0.00 -1.11 0.00 0.00 56.01 50.31 1ab7 n LEU 51 Cb 0.41 -1.57 -0.07 0.00 0.53 0.00 0.00 43.42 42.72 1ab7 n LEU 51 CO 0.19 1.35 1.33 -0.70 -1.11 0.00 0.00 177.39 178.46 1ab7 s GLU 52 N 1.82 2.11 -0.85 1.96 2.12 0.02 -1.62 118.70 124.26 1ab7 s GLU 52 Ca 0.47 -0.51 -0.25 0.00 0.36 0.00 0.00 54.97 55.03 1ab7 s GLU 52 Cb 0.13 -5.07 0.03 0.00 0.26 0.00 0.00 34.13 29.48 1ab7 s GLU 52 CO -0.05 -4.19 1.42 -0.46 -0.54 0.00 0.00 175.26 171.43 1ab7 s TRP 53 N 12.55 2.32 0.00 5.30 -0.11 -0.42 -1.32 118.94 137.27 1ab7 s TRP 53 Ca 0.75 -0.29 0.00 0.00 1.22 0.00 0.00 56.10 57.78 1ab7 s TRP 53 Cb -0.05 -4.60 0.00 0.00 -1.50 0.00 0.00 33.47 27.32 1ab7 s TRP 53 CO 0.09 -2.02 0.00 0.54 -4.62 0.00 0.00 176.95 170.94 1ab7 n ARG 54 N 9.14 2.71 -1.46 5.86 1.74 0.64 -4.17 116.66 131.12 1ab7 n ARG 54 Ca 0.18 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.82 1ab7 n ARG 54 Cb 0.50 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.81 1ab7 n ARG 54 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1ab7 n GLN 55 N 0.00 0.19 0.00 5.56 3.00 -1.26 -4.70 117.38 120.17 1ab7 n GLN 55 Ca 0.00 0.02 0.13 0.00 -0.01 0.00 0.00 57.00 57.13 1ab7 n GLN 55 Cb 0.00 -1.79 0.37 0.00 0.00 0.00 0.00 30.24 28.82 1ab7 n GLN 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1ab7 n PHE 56 N 10.65 0.00 0.02 1.08 -0.00 -1.26 -3.57 117.46 124.38 1ab7 n PHE 56 Ca 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 58.03 1ab7 n PHE 56 Cb 0.09 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.48 39.41 1ab7 n PHE 56 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 1ab7 h GLU 57 N 0.90 -0.08 -6.65 -4.13 4.81 -1.97 -3.37 114.58 104.07 1ab7 h GLU 57 Ca 0.00 0.01 -0.58 0.00 -0.13 0.00 0.00 59.36 58.65 1ab7 h GLU 57 Cb 0.50 0.02 0.14 0.00 0.63 0.00 0.00 28.75 30.03 1ab7 h GLU 57 CO 0.00 -0.06 0.14 0.00 -0.73 0.00 0.00 179.01 178.36 1ab7 n GLN 58 N -2.85 1.28 0.00 1.92 0.00 -1.26 -1.17 117.38 115.30 1ab7 n GLN 58 Ca -0.01 0.46 0.00 0.00 0.00 0.00 0.00 57.00 57.45 1ab7 n GLN 58 Cb 0.03 -2.04 0.00 0.00 0.00 0.00 0.00 30.24 28.24 1ab7 n GLN 58 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1ab7 n SER 59 N 0.41 0.00 -0.06 2.61 3.41 -1.26 -4.72 113.62 114.00 1ab7 n SER 59 Ca 0.10 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.56 1ab7 n SER 59 Cb 0.40 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.22 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 0.02 0.00 4.33 3.11 -1.32 -3.31 116.57 119.40 1ab7 h LYS 60 Ca 0.00 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1ab7 h LYS 60 Cb 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 1ab7 h LYS 60 CO 0.00 1.01 -0.04 0.37 -2.81 0.00 0.00 179.45 177.98 1ab7 h GLN 61 N -0.96 0.00 0.00 1.90 5.75 -1.81 -3.02 115.11 116.97 1ab7 h GLN 61 Ca -0.03 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1ab7 h GLN 61 Cb 1.05 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.60 1ab7 h GLN 61 CO -0.00 0.00 0.00 1.28 -2.65 0.00 0.00 178.83 177.46 1ab7 n LEU 62 N -2.48 0.00 0.00 -2.39 4.32 -1.25 -4.78 117.00 110.42 1ab7 n LEU 62 Ca 0.05 0.10 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 1ab7 n LEU 62 Cb 0.46 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.16 1ab7 n LEU 62 CO 0.32 -0.02 0.00 1.07 -1.22 0.00 0.00 177.39 177.54 1ab7 n THR 63 N -1.10 0.00 0.00 -5.08 5.66 -1.14 -4.91 114.28 107.71 1ab7 n THR 63 Ca 0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 1ab7 n THR 63 Cb 0.12 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.90 1ab7 n THR 63 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1ab7 n GLU 64 N 0.00 2.56 0.00 1.09 -0.00 -1.26 -4.95 120.64 118.08 1ab7 n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1ab7 n GLU 64 Cb 0.00 -0.85 0.00 0.00 -0.00 0.00 0.00 31.44 30.59 1ab7 n GLU 64 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1ab7 n ASN 65 N -1.43 0.00 -0.06 -1.84 6.94 -1.26 -5.00 115.26 112.61 1ab7 n ASN 65 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 54.58 54.51 1ab7 n ASN 65 Cb 0.27 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.65 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1ab7 h GLY 66 N 0.00 0.00 1.04 4.83 0.00 -1.86 -2.61 103.07 104.47 1ab7 h GLY 66 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1ab7 h GLY 66 CO 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 176.54 176.00 1ab7 h ALA 67 N -0.71 0.34 0.00 3.60 0.00 -1.88 -1.93 119.26 118.69 1ab7 h ALA 67 Ca -0.01 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ab7 h ALA 67 Cb 0.34 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ab7 h ALA 67 CO -0.01 0.55 -0.02 1.49 0.00 0.00 0.00 179.25 181.26 1ab7 h GLU 68 N 0.45 0.00 0.00 0.00 4.81 -1.91 -2.08 114.58 115.85 1ab7 h GLU 68 Ca -0.01 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1ab7 h GLU 68 Cb 1.15 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1ab7 h GLU 68 CO 0.12 0.02 -0.58 0.77 -0.73 0.00 0.00 179.01 178.61 1ab7 h SER 69 N 0.00 0.00 -0.72 1.04 0.02 -1.21 -0.94 113.55 111.74 1ab7 h SER 69 Ca -0.00 -0.39 0.21 0.00 -0.84 0.00 0.00 61.79 60.77 1ab7 h SER 69 Cb 0.28 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1ab7 h SER 69 CO 0.00 1.02 0.60 0.58 -1.14 0.00 0.00 176.83 177.89 1ab7 h VAL 70 N -1.00 0.46 0.11 2.27 2.07 -1.30 0.32 116.25 119.18 1ab7 h VAL 70 Ca -0.12 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.24 1ab7 h VAL 70 Cb 0.81 0.56 0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1ab7 h VAL 70 CO -0.07 0.00 -0.68 0.25 0.02 0.00 0.00 177.57 177.09 1ab7 h LEU 71 N 0.00 0.40 -1.96 2.57 5.85 -1.43 -0.17 115.31 120.57 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 1.53 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 1ab7 h LEU 71 CO -0.00 1.32 0.58 1.56 -0.34 0.00 0.00 178.44 181.56 1ab7 h GLN 72 N -0.44 0.00 0.02 1.25 4.20 0.10 0.01 115.11 120.25 1ab7 h GLN 72 Ca -0.12 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.48 1ab7 h GLN 72 Cb 1.52 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.29 1ab7 h GLN 72 CO 0.13 0.00 -0.62 0.28 -0.67 0.00 0.00 178.83 177.94 1ab7 h VAL 73 N 0.00 1.40 -0.17 -0.54 2.07 -1.15 -0.72 116.25 117.14 1ab7 h VAL 73 Ca 0.34 -2.30 0.05 0.00 0.82 0.00 0.00 66.70 65.61 1ab7 h VAL 73 Cb 1.50 2.90 -0.07 0.00 -1.52 0.00 0.00 31.29 34.11 1ab7 h VAL 73 CO -0.00 0.52 -0.30 -0.26 0.02 0.00 0.00 177.57 177.54 1ab7 h PHE 74 N -0.91 -0.82 -0.68 1.57 0.04 0.14 0.22 116.94 116.50 1ab7 h PHE 74 Ca -0.16 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 1ab7 h PHE 74 Cb 1.21 0.39 -0.03 0.00 2.20 0.00 0.00 35.95 39.72 1ab7 h PHE 74 CO 0.20 -0.38 0.38 0.00 -0.60 0.00 0.00 178.31 177.91 1ab7 h ARG 75 N -0.35 0.95 -0.20 1.51 3.08 -1.19 -0.86 114.38 117.32 1ab7 h ARG 75 Ca 0.11 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 60.11 1ab7 h ARG 75 Cb 0.52 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1ab7 h ARG 75 CO -0.37 0.71 0.21 0.93 -1.07 0.00 0.00 179.97 180.38 1ab7 h GLU 76 N 0.94 0.00 0.00 0.04 5.08 0.68 0.22 114.58 121.54 1ab7 h GLU 76 Ca 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1ab7 h GLU 76 Cb 0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ab7 h GLU 76 CO -0.04 0.00 -0.08 0.00 -1.00 0.00 0.00 179.01 177.89 1ab7 h ALA 77 N 1.77 0.01 0.00 3.43 0.00 0.68 -1.44 119.26 123.72 1ab7 h ALA 77 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ab7 h ALA 77 Cb 0.50 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ab7 h ALA 77 CO -0.00 0.05 0.00 0.36 0.00 0.00 0.00 179.25 179.66 1ab7 n LYS 78 N -4.66 0.10 0.00 0.00 -0.00 -0.67 0.13 118.16 113.06 1ab7 n LYS 78 Ca -0.08 0.57 0.00 0.00 -0.00 0.00 0.00 58.31 58.81 1ab7 n LYS 78 Cb 0.32 -1.82 0.00 0.00 -0.00 0.00 0.00 35.03 33.53 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 -1.70 0.00 -0.01 0.58 0.00 0.72 -4.62 120.51 115.49 1ab7 n ALA 79 Ca -0.01 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 1ab7 n ALA 79 Cb 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.40 0.00 0.00 4.39 -1.23 -3.44 114.58 113.91 1ab7 h GLU 80 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1ab7 h GLU 80 Cb 0.00 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1ab7 h GLU 80 CO 0.00 -0.26 0.00 0.41 -1.16 0.00 0.00 179.01 178.00 1ab7 n GLY 81 N -1.31 0.15 3.19 -3.84 0.00 -0.84 -5.09 105.19 97.46 1ab7 n GLY 81 Ca -0.04 -0.08 -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 -1.03 -3.03 -2.78 4.61 0.00 0.35 -4.83 120.51 113.79 1ab7 n ALA 82 Ca 0.00 -0.03 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 1ab7 n ALA 82 Cb 0.00 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 2.45 6.34 -4.74 0.00 8.00 -1.26 -3.61 116.55 123.73 1ab7 n ASP 83 Ca 0.08 -3.66 -0.30 0.00 0.71 0.00 0.00 54.79 51.62 1ab7 n ASP 83 Cb 0.46 -0.98 -0.07 0.00 -0.02 0.00 0.00 41.12 40.50 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 -4.19 4.30 -0.47 0.53 1.01 -1.26 -1.21 121.20 119.91 1ab7 s ILE 84 Ca 0.41 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 60.09 1ab7 s ILE 84 Cb 0.20 -3.09 0.12 0.00 0.01 0.00 0.00 42.46 39.71 1ab7 s ILE 84 CO -0.11 0.08 0.30 -0.89 0.00 0.00 0.00 174.94 174.33 1ab7 s THR 85 N -1.42 3.79 -0.33 2.92 2.01 -0.02 -4.56 115.64 118.02 1ab7 s THR 85 Ca 0.28 -2.05 -0.28 0.00 0.31 0.00 0.00 61.69 59.96 1ab7 s THR 85 Cb -0.12 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 68.88 1ab7 s THR 85 CO 0.21 -0.76 1.02 -0.63 -0.69 0.00 0.00 174.62 173.77 1ab7 s ILE 86 N 1.09 4.55 0.10 1.82 1.09 -1.26 -0.66 121.20 127.92 1ab7 s ILE 86 Ca 0.08 1.58 0.08 0.00 -1.10 0.00 0.00 60.65 61.29 1ab7 s ILE 86 Cb -0.24 -4.38 -0.04 0.00 -1.06 0.00 0.00 42.46 36.75 1ab7 s ILE 86 CO -0.03 -0.47 -0.15 -0.63 -0.10 0.00 0.00 174.94 173.56 1ab7 s ILE 87 N 3.56 3.06 0.00 2.92 1.01 -0.64 -4.98 121.20 126.13 1ab7 s ILE 87 Ca 0.43 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1ab7 s ILE 87 Cb -0.12 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 39.95 1ab7 s ILE 87 CO 0.16 0.14 0.00 0.18 0.00 0.00 0.00 174.94 175.42 1ab7 n LEU 88 N 0.87 0.00 0.00 2.97 4.32 -1.26 -1.30 117.00 122.61 1ab7 n LEU 88 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 1ab7 n LEU 88 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 1ab7 n LEU 88 CO 0.30 0.00 0.00 -0.24 -1.22 0.00 0.00 177.39 176.23