#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 2.59 0.28 1.97 0.00 -1.26 -1.22 119.74 122.10 1ab7 s LYS 2 Ca 0.00 -1.17 -0.13 0.00 0.00 0.00 0.00 55.97 54.67 1ab7 s LYS 2 Cb 0.00 -3.24 -0.08 0.00 0.00 0.00 0.00 37.83 34.51 1ab7 s LYS 2 CO 0.00 -0.59 0.66 0.00 0.00 0.00 0.00 175.35 175.43 1ab7 s ALA 3 N 1.32 3.42 -0.03 0.59 0.00 0.23 -4.85 121.76 122.44 1ab7 s ALA 3 Ca -0.03 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1ab7 s ALA 3 Cb -0.19 -2.65 0.02 0.00 0.00 0.00 0.00 23.12 20.31 1ab7 s ALA 3 CO -0.00 0.40 -0.01 0.08 0.00 0.00 0.00 175.76 176.23 1ab7 s VAL 4 N -1.89 0.22 -0.24 0.00 1.01 -1.26 -0.29 120.40 117.94 1ab7 s VAL 4 Ca 0.51 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.44 1ab7 s VAL 4 Cb -0.11 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1ab7 s VAL 4 CO 0.19 0.15 0.12 -0.63 0.00 0.00 0.00 175.10 174.92 1ab7 s ILE 5 N 0.91 4.91 -0.39 2.22 -1.09 -0.42 -4.86 121.20 122.48 1ab7 s ILE 5 Ca -0.10 0.03 -0.00 0.00 -2.23 0.00 0.00 60.65 58.35 1ab7 s ILE 5 Cb -0.13 -3.29 0.11 0.00 -1.58 0.00 0.00 42.46 37.57 1ab7 s ILE 5 CO -0.01 0.34 0.15 0.20 -1.23 0.00 0.00 174.94 174.39 1ab7 s ASN 6 N 1.24 5.05 0.00 3.58 -0.87 -1.26 -0.19 114.94 122.49 1ab7 s ASN 6 Ca 0.06 -2.12 0.19 0.00 -1.57 0.00 0.00 52.86 49.42 1ab7 s ASN 6 Cb -0.14 -1.75 1.01 0.00 -0.02 0.00 0.00 41.25 40.35 1ab7 s ASN 6 CO 0.05 -0.47 1.59 0.61 -2.57 0.00 0.00 177.10 176.31 1ab7 n GLY 7 N 4.41 -0.87 0.07 0.66 0.00 -1.26 -2.06 105.19 106.14 1ab7 n GLY 7 Ca 0.01 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.23 0.18 0.00 1.61 2.13 -1.26 -3.80 120.64 118.26 1ab7 n GLU 8 Ca 0.10 0.13 0.00 0.00 0.66 0.00 0.00 57.16 58.05 1ab7 n GLU 8 Cb 0.14 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.15 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 -2.00 0.72 -2.22 5.31 -0.06 -0.93 -4.95 117.38 113.25 1ab7 n GLN 9 Ca 0.06 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.65 1ab7 n GLN 9 Cb 0.40 -0.97 -0.03 0.00 -4.06 0.00 0.00 30.24 25.58 1ab7 n GLN 9 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1ab7 s ILE 10 N -1.89 3.59 0.09 1.69 -1.09 -0.87 -4.83 121.20 117.89 1ab7 s ILE 10 Ca 0.00 0.46 -0.15 0.00 -2.23 0.00 0.00 60.65 58.73 1ab7 s ILE 10 Cb 0.00 -4.19 -0.10 0.00 -1.58 0.00 0.00 42.46 36.59 1ab7 s ILE 10 CO 0.00 -1.02 1.40 0.03 -1.23 0.00 0.00 174.94 174.11 1ab7 h ARG 11 N 12.61 0.68 -4.04 2.79 3.08 -1.92 -3.45 114.38 124.13 1ab7 h ARG 11 Ca -0.28 -0.38 -0.17 0.00 0.07 0.00 0.00 59.98 59.22 1ab7 h ARG 11 Cb 1.12 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 31.10 1ab7 h ARG 11 CO 1.18 1.00 -0.27 0.45 -1.07 0.00 0.00 179.97 181.26 1ab7 s SER 12 N -6.57 0.30 0.58 7.04 0.15 -1.26 -4.88 113.70 109.05 1ab7 s SER 12 Ca -0.12 -1.22 0.29 0.00 0.70 0.00 0.00 55.95 55.60 1ab7 s SER 12 Cb 0.08 0.56 1.45 0.00 -1.71 0.00 0.00 66.02 66.41 1ab7 s SER 12 CO 0.83 -1.11 1.87 -0.29 1.20 0.00 0.00 173.24 175.74 1ab7 h ILE 13 N 2.30 0.39 -0.54 6.45 6.09 -1.91 0.57 117.51 130.85 1ab7 h ILE 13 Ca -0.29 0.00 0.08 0.00 -1.37 0.00 0.00 64.86 63.28 1ab7 h ILE 13 Cb 1.25 0.58 -0.07 0.00 0.47 0.00 0.00 36.82 39.05 1ab7 h ILE 13 CO 0.41 0.00 0.17 0.28 -3.07 0.00 0.00 178.15 175.94 1ab7 h SER 14 N 0.00 0.14 1.40 2.19 0.02 -1.97 0.27 113.55 115.60 1ab7 h SER 14 Ca 0.27 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1ab7 h SER 14 Cb 1.35 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.96 1ab7 h SER 14 CO -0.00 0.10 -0.01 0.44 -1.14 0.00 0.00 176.83 176.22 1ab7 h ASP 15 N 0.34 0.00 0.49 3.07 3.32 -1.28 -3.15 116.42 119.21 1ab7 h ASP 15 Ca 0.27 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 1ab7 h ASP 15 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1ab7 h ASP 15 CO -0.30 0.01 -0.24 0.25 -1.72 0.00 0.00 179.24 177.25 1ab7 h LEU 16 N 0.00 -0.56 -2.29 1.55 5.85 -0.26 -0.14 115.31 119.45 1ab7 h LEU 16 Ca -0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1ab7 h LEU 16 Cb 0.71 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1ab7 h LEU 16 CO 0.00 -0.25 0.10 0.45 -0.34 0.00 0.00 178.44 178.40 1ab7 h HIS 17 N -0.87 0.00 0.12 1.25 3.86 -1.31 0.29 115.15 118.50 1ab7 h HIS 17 Ca -0.07 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.87 1ab7 h HIS 17 Cb 0.59 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.06 1ab7 h HIS 17 CO -0.00 0.00 -1.29 1.96 0.86 0.00 0.00 177.93 179.46 1ab7 h GLN 18 N 0.00 0.25 -0.14 2.45 4.20 -1.27 0.79 115.11 121.39 1ab7 h GLN 18 Ca 0.00 -0.42 -0.18 0.00 0.06 0.00 0.00 58.65 58.11 1ab7 h GLN 18 Cb 0.20 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1ab7 h GLN 18 CO 0.00 1.18 -0.64 1.15 -0.67 0.00 0.00 178.83 179.85 1ab7 h THR 19 N 0.07 1.34 0.07 -0.54 2.02 0.13 0.33 112.91 116.32 1ab7 h THR 19 Ca -0.15 -1.94 -0.25 0.00 0.77 0.00 0.00 66.41 64.83 1ab7 h THR 19 Cb 1.97 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 70.29 1ab7 h THR 19 CO 0.19 0.60 -1.20 -0.07 0.37 0.00 0.00 175.52 175.41 1ab7 h LEU 20 N 0.38 0.23 -0.91 2.58 3.38 -1.32 -1.47 115.31 118.18 1ab7 h LEU 20 Ca -0.01 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1ab7 h LEU 20 Cb 1.20 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1ab7 h LEU 20 CO 0.12 1.20 -0.19 0.50 0.09 0.00 0.00 178.44 180.16 1ab7 h LYS 21 N 0.04 0.00 0.10 1.13 3.64 -0.70 0.38 116.57 121.16 1ab7 h LYS 21 Ca -0.10 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.01 1ab7 h LYS 21 Cb 1.90 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.71 1ab7 h LYS 21 CO 0.16 0.19 -1.38 -0.22 -2.27 0.00 0.00 179.45 175.93 1ab7 h LYS 22 N 0.00 0.22 0.00 1.90 1.63 -0.25 -1.35 116.57 118.72 1ab7 h LYS 22 Ca -0.00 -0.38 -0.03 0.00 -0.85 0.00 0.00 60.65 59.39 1ab7 h LYS 22 Cb 0.81 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.58 1ab7 h LYS 22 CO 0.02 1.18 -0.12 0.93 -3.45 0.00 0.00 179.45 178.01 1ab7 h GLU 23 N -0.36 0.08 0.00 1.90 4.39 -1.27 -3.21 114.58 116.11 1ab7 h GLU 23 Ca -0.30 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.25 1ab7 h GLU 23 Cb 1.72 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.38 1ab7 h GLU 23 CO 0.04 0.86 -0.29 -0.07 -1.16 0.00 0.00 179.01 178.39 1ab7 h LEU 24 N -0.66 0.00 -2.16 1.33 3.38 -1.11 -3.47 115.31 112.62 1ab7 h LEU 24 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1ab7 h LEU 24 Cb 0.90 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.69 1ab7 h LEU 24 CO 0.02 0.29 -0.17 0.00 0.09 0.00 0.00 178.44 178.68 1ab7 n ALA 25 N -2.33 -0.55 -1.82 1.53 0.00 -0.89 -4.74 120.51 111.71 1ab7 n ALA 25 Ca -0.01 -0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 1ab7 n ALA 25 Cb 0.41 -1.08 0.07 0.00 0.00 0.00 0.00 19.45 18.84 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 -3.07 2.71 0.00 0.00 1.43 -0.56 -5.01 118.68 114.18 1ab7 s LEU 26 Ca 0.02 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 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 0.16 -1.63 0.00 -0.81 0.23 0.00 0.00 176.35 174.30 1ab7 n PRO 27 N -3.18 -0.20 0.05 1.29 -0.04 -1.26 -4.94 135.00 126.72 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 0.58 0.00 -0.15 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 0.29 0.00 0.54 4.81 -2.00 -3.26 114.58 114.97 1ab7 h GLU 28 Ca 0.00 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1ab7 h GLU 28 Cb 0.00 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1ab7 h GLU 28 CO 0.00 1.24 0.00 2.48 -0.73 0.00 0.00 179.01 182.00 1ab7 n TYR 29 N -4.11 0.00 -1.12 0.92 0.18 -1.26 -4.82 117.16 106.95 1ab7 n TYR 29 Ca -0.15 0.00 -0.45 0.00 1.88 0.00 0.00 57.90 59.18 1ab7 n TYR 29 Cb 0.83 -0.24 -0.07 0.00 -0.38 0.00 0.00 39.34 39.48 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 -1.24 1.11 0.30 -3.48 9.36 -1.23 -4.69 117.16 117.29 1ab7 n TYR 30 Ca 0.06 0.73 0.04 0.00 3.32 0.00 0.00 57.90 62.04 1ab7 n TYR 30 Cb 0.08 -1.53 0.17 0.00 -0.63 0.00 0.00 39.34 37.43 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 3.22 -0.63 3.78 2.98 0.00 -1.26 -4.84 105.19 108.44 1ab7 n GLY 31 Ca 0.24 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.38 -3.87 -1.88 1.61 1.02 -1.26 -4.93 120.64 109.95 1ab7 n GLU 32 Ca 0.03 0.53 -0.03 0.00 -0.02 0.00 0.00 57.16 57.67 1ab7 n GLU 32 Cb 0.07 -4.84 -0.00 0.00 -0.02 0.00 0.00 31.44 26.65 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 -3.00 -0.40 0.10 1.62 2.04 -1.26 -4.89 115.26 109.48 1ab7 n ASN 33 Ca -0.28 -1.39 0.13 0.00 -0.44 0.00 0.00 54.58 52.60 1ab7 n ASN 33 Cb 0.67 0.70 0.41 0.00 -2.53 0.00 0.00 39.78 39.03 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 0.80 -0.07 -4.53 -0.00 -1.26 -1.46 117.00 110.48 1ab7 n LEU 34 Ca -0.01 0.58 -0.10 0.00 -0.00 0.00 0.00 56.01 56.47 1ab7 n LEU 34 Cb 0.13 -0.32 -0.09 0.00 -0.00 0.00 0.00 43.42 43.14 1ab7 n LEU 34 CO 0.06 -0.18 0.22 -2.24 -0.00 0.00 0.00 177.39 175.26 1ab7 h ASP 35 N 0.00 0.00 0.57 1.45 2.03 -1.96 -1.22 116.42 117.29 1ab7 h ASP 35 Ca 0.00 -0.68 -0.17 0.00 -0.73 0.00 0.00 57.03 55.45 1ab7 h ASP 35 Cb 0.73 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.22 1ab7 h ASP 35 CO 0.00 0.88 -0.77 0.00 -1.03 0.00 0.00 179.24 178.32 1ab7 h ALA 36 N -0.32 0.68 0.37 4.15 0.00 -1.92 -0.01 119.26 122.21 1ab7 h ALA 36 Ca -0.02 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 1ab7 h ALA 36 Cb 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ab7 h ALA 36 CO -0.01 0.87 -0.18 1.25 0.00 0.00 0.00 179.25 181.18 1ab7 h LEU 37 N 0.10 -0.42 -0.91 0.00 5.85 -1.39 0.15 115.31 118.68 1ab7 h LEU 37 Ca -0.02 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.64 1ab7 h LEU 37 Cb 1.35 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.41 1ab7 h LEU 37 CO 0.11 -0.00 0.56 -0.25 -0.34 0.00 0.00 178.44 178.53 1ab7 h TRP 38 N -0.94 1.04 -0.48 1.25 2.91 -1.26 0.56 115.95 119.02 1ab7 h TRP 38 Ca -0.05 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.04 1ab7 h TRP 38 Cb 0.54 -0.33 -0.03 0.00 -0.51 0.00 0.00 29.16 28.83 1ab7 h TRP 38 CO 0.03 0.48 0.32 -0.44 -1.03 0.00 0.00 178.44 177.79 1ab7 h ASP 39 N 0.98 0.44 0.00 2.65 3.32 -0.82 -2.45 116.42 120.53 1ab7 h ASP 39 Ca 0.42 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1ab7 h ASP 39 Cb 0.29 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1ab7 h ASP 39 CO -0.21 0.30 -0.00 0.00 -1.72 0.00 0.00 179.24 177.61 1ab7 h ALA 40 N 1.73 0.00 -0.38 3.45 0.00 0.28 -3.37 119.26 120.97 1ab7 h ALA 40 Ca 0.20 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1ab7 h ALA 40 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1ab7 h ALA 40 CO -0.05 0.00 -0.22 1.28 0.00 0.00 0.00 179.25 180.26 1ab7 n LEU 41 N -2.06 -0.40 -3.60 0.00 4.77 0.13 0.94 117.00 116.78 1ab7 n LEU 41 Ca -0.00 0.81 -0.41 0.00 -0.03 0.00 0.00 56.01 56.38 1ab7 n LEU 41 Cb 0.00 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1ab7 n LEU 41 CO 0.00 -0.62 2.69 1.07 -1.33 0.00 0.00 177.39 179.20 1ab7 n THR 42 N -4.08 4.19 0.00 -5.08 5.66 -0.93 -3.47 114.28 110.57 1ab7 n THR 42 Ca 0.01 -3.40 0.00 0.00 -3.05 0.00 0.00 64.05 57.60 1ab7 n THR 42 Cb 0.10 -2.47 0.00 0.00 -1.55 0.00 0.00 70.33 66.41 1ab7 n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ab7 n GLY 43 N 3.28 0.23 0.42 1.09 0.00 0.11 -4.88 105.19 105.44 1ab7 n GLY 43 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.52 0.17 1.61 -0.00 0.27 -4.76 117.44 114.20 1ab7 n TRP 44 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 57.50 57.69 1ab7 n TRP 44 Cb 0.00 0.10 0.79 0.00 -0.00 0.00 0.00 31.31 32.20 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 0.32 -4.67 5.87 2.07 -1.55 -3.47 116.25 114.82 1ab7 h VAL 45 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1ab7 h VAL 45 Cb 0.00 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 30.39 1ab7 h VAL 45 CO 0.00 0.00 -1.29 1.21 0.02 0.00 0.00 177.57 177.51 1ab7 n GLU 46 N -3.57 -4.29 -3.13 1.57 2.13 -1.26 -4.57 120.64 107.52 1ab7 n GLU 46 Ca 0.04 3.24 -0.20 0.00 0.66 0.00 0.00 57.16 60.90 1ab7 n GLU 46 Cb 0.49 -4.55 0.01 0.00 0.27 0.00 0.00 31.44 27.66 1ab7 n GLU 46 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1ab7 s TYR 47 N -0.58 3.08 0.58 4.31 2.02 -1.26 -3.73 117.35 121.77 1ab7 s TYR 47 Ca -0.19 -0.06 -0.18 0.00 -0.37 0.00 0.00 57.07 56.28 1ab7 s TYR 47 Cb 0.01 -2.26 -0.04 0.00 -0.40 0.00 0.00 41.96 39.28 1ab7 s TYR 47 CO 0.51 -0.30 1.11 -1.25 -1.57 0.00 0.00 175.55 174.05 1ab7 s PRO 48 N -4.41 3.18 0.14 -1.71 0.04 -1.26 -4.88 135.00 126.10 1ab7 s PRO 48 Ca 0.49 1.50 0.07 0.00 0.04 0.00 0.00 61.00 63.09 1ab7 s PRO 48 Cb -0.10 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1ab7 s PRO 48 CO 0.35 -0.96 -0.15 -1.17 0.04 0.00 0.00 177.00 175.11 1ab7 s LEU 49 N -4.20 2.44 -0.33 -3.56 2.96 -0.44 -1.99 118.68 113.57 1ab7 s LEU 49 Ca 0.70 -0.86 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1ab7 s LEU 49 Cb -0.22 -0.61 0.09 0.00 0.50 0.00 0.00 46.19 45.95 1ab7 s LEU 49 CO 0.32 -0.14 0.04 -0.69 -1.32 0.00 0.00 176.35 174.57 1ab7 s VAL 50 N -2.31 2.49 -1.44 1.68 1.01 -0.35 -0.39 120.40 121.09 1ab7 s VAL 50 Ca 0.13 -2.08 -0.09 0.00 0.00 0.00 0.00 61.98 59.93 1ab7 s VAL 50 Cb -0.04 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.68 1ab7 s VAL 50 CO 0.04 -0.46 2.43 -0.11 0.00 0.00 0.00 175.10 177.00 1ab7 n LEU 51 N 4.38 7.75 -4.57 3.92 7.94 0.65 0.76 117.00 137.83 1ab7 n LEU 51 Ca -0.02 -4.52 -0.16 0.00 -1.11 0.00 0.00 56.01 50.19 1ab7 n LEU 51 Cb 0.42 -1.51 -0.08 0.00 0.53 0.00 0.00 43.42 42.78 1ab7 n LEU 51 CO 0.24 1.73 1.22 -0.70 -1.11 0.00 0.00 177.39 178.77 1ab7 s GLU 52 N 1.09 1.67 -0.81 1.96 2.12 0.60 -1.51 118.70 123.81 1ab7 s GLU 52 Ca 0.54 0.09 -0.26 0.00 0.36 0.00 0.00 54.97 55.71 1ab7 s GLU 52 Cb 0.16 -4.89 0.04 0.00 0.26 0.00 0.00 34.13 29.69 1ab7 s GLU 52 CO -0.06 -4.54 1.30 -0.46 -0.54 0.00 0.00 175.26 170.95 1ab7 s TRP 53 N 14.53 2.39 -0.13 5.30 -0.11 -0.40 -1.31 118.94 139.21 1ab7 s TRP 53 Ca 0.86 -0.31 -0.32 0.00 1.22 0.00 0.00 56.10 57.55 1ab7 s TRP 53 Cb -0.10 -4.62 -0.09 0.00 -1.50 0.00 0.00 33.47 27.16 1ab7 s TRP 53 CO 0.09 -2.00 2.03 0.54 -4.62 0.00 0.00 176.95 172.99 1ab7 n ARG 54 N 9.08 2.12 0.00 5.86 5.12 0.73 -4.54 116.66 135.03 1ab7 n ARG 54 Ca 0.10 0.72 0.00 0.00 -1.93 0.00 0.00 57.85 56.74 1ab7 n ARG 54 Cb 0.49 -2.85 0.00 0.00 -1.16 0.00 0.00 32.46 28.94 1ab7 n ARG 54 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1ab7 n GLN 55 N 7.60 0.00 0.00 5.56 1.13 -1.26 -4.22 117.38 126.18 1ab7 n GLN 55 Ca 0.26 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.32 1ab7 n GLN 55 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.70 1ab7 n GLN 55 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1ab7 n PHE 56 N 0.00 0.00 -0.32 1.08 7.35 -1.26 -4.85 117.46 119.46 1ab7 n PHE 56 Ca 0.00 0.00 0.34 0.00 -0.76 0.00 0.00 57.45 57.03 1ab7 n PHE 56 Cb 0.00 0.00 0.57 0.00 0.35 0.00 0.00 39.48 40.40 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 0.00 -4.13 5.08 -1.94 -0.85 114.58 112.74 1ab7 h GLU 57 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ab7 h GLU 57 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ab7 h GLU 57 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1ab7 n GLN 58 N -3.48 0.00 0.22 2.33 10.64 -1.26 -0.32 117.38 125.50 1ab7 n GLN 58 Ca 0.28 0.38 0.15 0.00 -1.83 0.00 0.00 57.00 55.98 1ab7 n GLN 58 Cb 1.58 -1.30 0.78 0.00 -0.86 0.00 0.00 30.24 30.45 1ab7 n GLN 58 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 1ab7 h SER 59 N 0.00 0.00 1.26 2.61 0.02 -1.58 -0.96 113.55 114.90 1ab7 h SER 59 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1ab7 h SER 59 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1ab7 h SER 59 CO 0.00 0.00 -0.77 0.50 -1.14 0.00 0.00 176.83 175.42 1ab7 h LYS 60 N 0.00 0.00 0.00 3.45 3.64 -1.04 -3.37 116.57 119.25 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 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1ab7 h LYS 60 CO 0.00 0.32 -0.01 0.37 -2.27 0.00 0.00 179.45 177.86 1ab7 h GLN 61 N 0.00 0.00 -0.93 1.90 4.15 0.76 -3.32 115.11 117.67 1ab7 h GLN 61 Ca -0.05 0.00 0.27 0.00 0.77 0.00 0.00 58.65 59.64 1ab7 h GLN 61 Cb 1.35 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.00 1ab7 h GLN 61 CO 0.04 0.00 1.16 1.47 -1.93 0.00 0.00 178.83 179.57 1ab7 n LEU 62 N -3.48 0.00 0.00 -2.39 -0.00 -1.20 -4.29 117.00 105.64 1ab7 n LEU 62 Ca -0.00 0.71 0.00 0.00 -0.00 0.00 0.00 56.01 56.72 1ab7 n LEU 62 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.19 1ab7 n LEU 62 CO 0.00 -0.71 0.00 1.07 -0.00 0.00 0.00 177.39 177.75 1ab7 n THR 63 N -3.10 0.00 0.00 1.47 5.66 -1.25 -4.93 114.28 112.13 1ab7 n THR 63 Ca 0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 1ab7 n THR 63 Cb 1.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.22 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 3.41 -0.92 1.09 0.00 -1.26 -4.95 120.64 118.01 1ab7 n GLU 64 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 1ab7 n GLU 64 Cb 0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 31.44 30.76 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 -0.62 -0.22 -0.06 -1.84 6.94 -1.26 -4.99 115.26 113.21 1ab7 n ASN 65 Ca 0.00 -0.63 -0.14 0.00 -0.02 0.00 0.00 54.58 53.78 1ab7 n ASN 65 Cb 0.03 0.08 -0.13 0.00 -2.36 0.00 0.00 39.78 37.40 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 0.06 0.03 0.86 4.83 0.00 -1.87 -2.78 103.07 104.19 1ab7 h GLY 66 Ca -0.10 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 1ab7 h GLY 66 CO -0.05 0.06 -0.37 0.00 0.00 0.00 0.00 176.54 176.18 1ab7 h ALA 67 N 0.03 0.25 -0.66 3.60 0.00 -1.90 -1.90 119.26 118.69 1ab7 h ALA 67 Ca -0.01 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 54.52 1ab7 h ALA 67 Cb 1.03 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1ab7 h ALA 67 CO 0.01 0.33 0.43 1.49 0.00 0.00 0.00 179.25 181.52 1ab7 h GLU 68 N 0.15 0.62 0.07 0.00 4.81 -1.94 0.36 114.58 118.66 1ab7 h GLU 68 Ca -0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1ab7 h GLU 68 Cb 0.98 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1ab7 h GLU 68 CO 0.08 0.41 -0.03 0.77 -0.73 0.00 0.00 179.01 179.51 1ab7 h SER 69 N 0.64 -0.08 -0.13 1.04 0.02 -1.38 0.10 113.55 113.76 1ab7 h SER 69 Ca 0.29 -0.55 0.04 0.00 -0.84 0.00 0.00 61.79 60.73 1ab7 h SER 69 Cb 0.30 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1ab7 h SER 69 CO -0.09 0.59 0.26 0.58 -1.14 0.00 0.00 176.83 177.03 1ab7 h VAL 70 N -0.84 0.23 0.12 2.27 2.07 -1.06 0.51 116.25 119.54 1ab7 h VAL 70 Ca -0.01 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.22 1ab7 h VAL 70 Cb 0.62 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1ab7 h VAL 70 CO 0.02 0.00 -1.37 0.25 0.02 0.00 0.00 177.57 176.49 1ab7 h LEU 71 N 0.00 0.39 -1.61 2.57 7.12 -0.67 0.58 115.31 123.68 1ab7 h LEU 71 Ca 0.06 -0.46 -0.03 0.00 0.13 0.00 0.00 57.88 57.58 1ab7 h LEU 71 Cb 0.57 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.57 1ab7 h LEU 71 CO -0.00 1.37 -0.05 1.56 -0.13 0.00 0.00 178.44 181.20 1ab7 h GLN 72 N 0.07 0.18 0.00 1.25 4.20 0.20 0.58 115.11 121.60 1ab7 h GLN 72 Ca -0.18 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 1ab7 h GLN 72 Cb 1.99 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.72 1ab7 h GLN 72 CO 0.18 0.25 -0.50 0.28 -0.67 0.00 0.00 178.83 178.37 1ab7 h VAL 73 N 0.18 0.99 -0.16 -0.54 2.07 -1.23 -0.61 116.25 116.95 1ab7 h VAL 73 Ca 0.04 -1.91 0.05 0.00 0.82 0.00 0.00 66.70 65.70 1ab7 h VAL 73 Cb 0.21 2.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 1ab7 h VAL 73 CO 0.01 0.34 -0.19 -0.26 0.02 0.00 0.00 177.57 177.48 1ab7 h PHE 74 N -1.00 -0.49 -0.60 1.57 -1.00 -0.83 0.42 116.94 115.01 1ab7 h PHE 74 Ca -0.12 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.70 1ab7 h PHE 74 Cb 0.89 0.24 -0.03 0.00 3.61 0.00 0.00 35.95 40.66 1ab7 h PHE 74 CO 0.11 -0.27 0.39 0.00 -1.61 0.00 0.00 178.31 176.93 1ab7 h ARG 75 N -0.23 0.77 -0.01 1.51 3.08 -1.03 0.14 114.38 118.61 1ab7 h ARG 75 Ca 0.11 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1ab7 h ARG 75 Cb 0.39 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1ab7 h ARG 75 CO -0.29 0.51 0.05 0.93 -1.07 0.00 0.00 179.97 180.10 1ab7 h GLU 76 N 0.79 0.00 0.00 0.04 4.39 0.74 0.19 114.58 120.73 1ab7 h GLU 76 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1ab7 h GLU 76 Cb -0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1ab7 h GLU 76 CO -0.06 0.00 -0.06 0.00 -1.16 0.00 0.00 179.01 177.73 1ab7 h ALA 77 N 1.91 0.00 0.00 3.43 0.00 0.25 -0.87 119.26 123.97 1ab7 h ALA 77 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ab7 h ALA 77 Cb 0.11 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ab7 h ALA 77 CO -0.00 0.06 0.00 1.17 0.00 0.00 0.00 179.25 180.48 1ab7 n LYS 78 N -4.53 0.06 -0.02 0.00 0.00 -0.55 0.20 118.16 113.32 1ab7 n LYS 78 Ca -0.01 0.46 -0.01 0.00 0.00 0.00 0.00 58.31 58.74 1ab7 n LYS 78 Cb 0.03 -1.65 -0.00 0.00 0.00 0.00 0.00 35.03 33.40 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 -1.60 0.14 0.06 3.14 0.00 0.64 -4.57 120.51 118.33 1ab7 n ALA 79 Ca 0.01 -0.23 -0.14 0.00 0.00 0.00 0.00 53.44 53.07 1ab7 n ALA 79 Cb 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.29 -0.59 0.00 0.00 4.39 -1.13 -3.44 114.58 113.53 1ab7 h GLU 80 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1ab7 h GLU 80 Cb 0.16 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1ab7 h GLU 80 CO 0.00 -0.39 0.00 0.41 -1.16 0.00 0.00 179.01 177.87 1ab7 n GLY 81 N -1.46 0.23 3.06 -3.84 0.00 -0.76 -5.08 105.19 97.34 1ab7 n GLY 81 Ca -0.06 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.27 -5.13 -2.79 4.61 0.00 0.54 -4.83 120.51 111.63 1ab7 n ALA 82 Ca 0.00 -0.72 -0.29 0.00 0.00 0.00 0.00 53.44 52.42 1ab7 n ALA 82 Cb 0.00 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 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 2.80 5.02 -4.94 0.00 -0.08 -1.26 -3.84 116.55 114.25 1ab7 n ASP 83 Ca -0.01 -3.70 -0.26 0.00 -1.51 0.00 0.00 54.79 49.32 1ab7 n ASP 83 Cb 0.57 -0.64 -0.03 0.00 2.34 0.00 0.00 41.12 43.36 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 -4.66 5.24 -0.50 5.18 1.01 -1.26 -1.32 121.20 124.89 1ab7 s ILE 84 Ca 0.48 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 1ab7 s ILE 84 Cb 0.29 -3.77 0.13 0.00 0.01 0.00 0.00 42.46 39.12 1ab7 s ILE 84 CO -0.16 -0.22 0.30 -0.89 0.00 0.00 0.00 174.94 173.98 1ab7 s THR 85 N -1.90 3.46 -0.63 2.92 2.01 0.48 -4.67 115.64 117.31 1ab7 s THR 85 Ca 0.37 -2.46 -0.27 0.00 0.31 0.00 0.00 61.69 59.64 1ab7 s THR 85 Cb -0.11 -3.32 0.01 0.00 0.01 0.00 0.00 72.50 69.10 1ab7 s THR 85 CO 0.30 -0.77 1.42 -0.63 -0.69 0.00 0.00 174.62 174.25 1ab7 s ILE 86 N 0.61 3.71 -0.80 1.82 1.09 -1.26 -0.26 121.20 126.11 1ab7 s ILE 86 Ca 0.12 0.53 -0.16 0.00 -1.10 0.00 0.00 60.65 60.04 1ab7 s ILE 86 Cb -0.22 -4.54 0.17 0.00 -1.06 0.00 0.00 42.46 36.81 1ab7 s ILE 86 CO -0.04 -1.36 0.85 -0.63 -0.10 0.00 0.00 174.94 173.66 1ab7 s ILE 87 N 6.34 5.20 -0.60 2.92 1.01 -0.57 -4.79 121.20 130.71 1ab7 s ILE 87 Ca 0.48 -1.91 0.21 0.00 0.00 0.00 0.00 60.65 59.43 1ab7 s ILE 87 Cb -0.10 -4.56 -0.27 0.00 0.01 0.00 0.00 42.46 37.54 1ab7 s ILE 87 CO 0.21 -1.18 0.72 0.18 0.00 0.00 0.00 174.94 174.87 1ab7 n LEU 88 N 5.20 0.59 0.00 2.97 4.77 -1.26 -1.27 117.00 127.99 1ab7 n LEU 88 Ca 0.12 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1ab7 n LEU 88 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1ab7 n LEU 88 CO 0.44 0.15 0.00 -0.24 -1.33 0.00 0.00 177.39 176.40