#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 0.43 0.02 1.97 2.20 -1.26 0.39 119.74 123.49 1ab7 s LYS 2 Ca 0.00 -0.79 -0.16 0.00 -0.36 0.00 0.00 55.97 54.66 1ab7 s LYS 2 Cb 0.00 -1.55 -0.06 0.00 -1.51 0.00 0.00 37.83 34.71 1ab7 s LYS 2 CO 0.00 -1.01 0.45 0.00 -0.36 0.00 0.00 175.35 174.44 1ab7 s ALA 3 N 1.87 3.66 -0.10 3.13 0.00 0.16 -4.85 121.76 125.63 1ab7 s ALA 3 Ca 0.09 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.91 1ab7 s ALA 3 Cb -0.17 -2.46 0.02 0.00 0.00 0.00 0.00 23.12 20.51 1ab7 s ALA 3 CO -0.31 0.45 -0.12 0.08 0.00 0.00 0.00 175.76 175.86 1ab7 s VAL 4 N -1.05 1.25 -0.38 0.00 1.01 -1.26 -0.37 120.40 119.61 1ab7 s VAL 4 Ca 0.25 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 1ab7 s VAL 4 Cb -0.17 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1ab7 s VAL 4 CO 0.15 0.40 0.49 -0.63 0.00 0.00 0.00 175.10 175.50 1ab7 s ILE 5 N 1.20 5.03 -0.58 2.22 -1.09 -0.40 -4.91 121.20 122.67 1ab7 s ILE 5 Ca -0.04 0.12 -0.06 0.00 -2.23 0.00 0.00 60.65 58.44 1ab7 s ILE 5 Cb -0.14 -3.99 0.15 0.00 -1.58 0.00 0.00 42.46 36.90 1ab7 s ILE 5 CO -0.03 -0.29 0.42 0.20 -1.23 0.00 0.00 174.94 174.01 1ab7 s ASN 6 N 1.80 5.60 0.00 3.58 -0.87 -1.26 0.12 114.94 123.90 1ab7 s ASN 6 Ca 0.17 -2.42 0.12 0.00 -1.57 0.00 0.00 52.86 49.15 1ab7 s ASN 6 Cb -0.16 -1.95 0.55 0.00 -0.02 0.00 0.00 41.25 39.67 1ab7 s ASN 6 CO 0.14 -0.52 1.35 0.61 -2.57 0.00 0.00 177.10 176.10 1ab7 n GLY 7 N 4.15 -0.83 0.12 0.66 0.00 -1.21 -1.67 105.19 106.42 1ab7 n GLY 7 Ca 0.02 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1ab7 n GLY 7 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1ab7 h GLU 8 N 0.00 0.00 0.00 1.61 4.11 -1.90 -3.28 114.58 115.13 1ab7 h GLU 8 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1ab7 h GLU 8 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1ab7 h GLU 8 CO 0.00 0.00 -1.07 0.94 0.07 0.00 0.00 179.01 178.95 1ab7 n GLN 9 N -2.33 0.92 -2.09 1.06 7.27 -0.67 -4.94 117.38 116.60 1ab7 n GLN 9 Ca 0.04 -0.01 -0.41 0.00 0.07 0.00 0.00 57.00 56.70 1ab7 n GLN 9 Cb 0.38 -1.04 -0.03 0.00 2.41 0.00 0.00 30.24 31.97 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 -2.09 3.49 0.07 1.69 -1.09 -0.76 -4.82 121.20 117.69 1ab7 s ILE 10 Ca -0.01 0.41 -0.17 0.00 -2.23 0.00 0.00 60.65 58.66 1ab7 s ILE 10 Cb 0.01 -3.91 -0.13 0.00 -1.58 0.00 0.00 42.46 36.85 1ab7 s ILE 10 CO 0.06 -0.75 1.34 0.03 -1.23 0.00 0.00 174.94 174.39 1ab7 h ARG 11 N 13.45 0.57 -4.14 2.79 3.08 -1.92 -3.43 114.38 124.78 1ab7 h ARG 11 Ca -0.29 -0.35 -0.12 0.00 0.07 0.00 0.00 59.98 59.29 1ab7 h ARG 11 Cb 1.15 0.04 -0.16 0.00 0.08 0.00 0.00 29.97 31.08 1ab7 h ARG 11 CO 1.14 0.96 -0.64 -1.54 -1.07 0.00 0.00 179.97 178.81 1ab7 s SER 12 N -6.51 0.41 0.52 7.04 1.04 -1.26 -4.90 113.70 110.04 1ab7 s SER 12 Ca -0.13 -0.88 0.42 0.00 0.48 0.00 0.00 55.95 55.84 1ab7 s SER 12 Cb 0.07 0.20 1.61 0.00 0.10 0.00 0.00 66.02 68.00 1ab7 s SER 12 CO 0.81 -0.57 1.63 -0.29 0.98 0.00 0.00 173.24 175.80 1ab7 h ILE 13 N 3.32 0.11 -0.13 -1.02 -0.00 -1.83 0.24 117.51 118.21 1ab7 h ILE 13 Ca -0.34 -0.01 0.05 0.00 -0.00 0.00 0.00 64.86 64.56 1ab7 h ILE 13 Cb 1.16 0.08 -0.06 0.00 -0.00 0.00 0.00 36.82 38.00 1ab7 h ILE 13 CO 0.61 0.01 -0.30 -1.28 -0.00 0.00 0.00 178.15 177.18 1ab7 h SER 14 N 0.03 -0.94 0.39 2.19 0.87 -1.97 0.20 113.55 114.32 1ab7 h SER 14 Ca 0.84 0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 61.54 1ab7 h SER 14 Cb 3.14 0.40 -0.00 0.00 -0.44 0.00 0.00 62.40 65.50 1ab7 h SER 14 CO -0.14 -0.34 -0.01 0.44 -0.53 0.00 0.00 176.83 176.25 1ab7 h ASP 15 N -0.38 0.00 0.46 6.23 3.32 -0.91 -2.23 116.42 122.91 1ab7 h ASP 15 Ca 0.10 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1ab7 h ASP 15 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1ab7 h ASP 15 CO -0.34 0.01 -0.22 0.25 -1.72 0.00 0.00 179.24 177.21 1ab7 h LEU 16 N 0.00 -0.52 -1.84 1.55 5.85 -0.52 0.13 115.31 119.96 1ab7 h LEU 16 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1ab7 h LEU 16 Cb 0.20 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1ab7 h LEU 16 CO 0.00 -0.23 0.00 0.45 -0.34 0.00 0.00 178.44 178.33 1ab7 h HIS 17 N -0.91 0.00 0.15 1.25 3.86 -1.21 0.33 115.15 118.62 1ab7 h HIS 17 Ca -0.06 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.86 1ab7 h HIS 17 Cb 0.47 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.95 1ab7 h HIS 17 CO 0.04 0.00 -1.30 1.96 0.86 0.00 0.00 177.93 179.49 1ab7 h GLN 18 N 0.00 0.32 -0.09 2.45 4.20 -1.12 0.58 115.11 121.45 1ab7 h GLN 18 Ca 0.00 -0.55 -0.10 0.00 0.06 0.00 0.00 58.65 58.06 1ab7 h GLN 18 Cb 0.00 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1ab7 h GLN 18 CO 0.00 1.26 -0.38 1.15 -0.67 0.00 0.00 178.83 180.19 1ab7 h THR 19 N 0.09 1.29 0.05 -0.54 2.02 0.17 0.24 112.91 116.23 1ab7 h THR 19 Ca -0.16 -1.43 -0.23 0.00 0.77 0.00 0.00 66.41 65.36 1ab7 h THR 19 Cb 2.01 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 70.06 1ab7 h THR 19 CO 0.22 0.42 -1.10 -0.07 0.37 0.00 0.00 175.52 175.37 1ab7 h LEU 20 N 0.17 0.15 -1.06 2.58 3.38 -1.20 -1.40 115.31 117.94 1ab7 h LEU 20 Ca 0.02 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1ab7 h LEU 20 Cb 0.75 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ab7 h LEU 20 CO 0.06 1.13 -0.14 0.50 0.09 0.00 0.00 178.44 180.08 1ab7 h LYS 21 N 0.03 0.00 0.13 1.13 3.64 -0.19 -0.49 116.57 120.82 1ab7 h LYS 21 Ca -0.06 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.98 1ab7 h LYS 21 Cb 1.85 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.66 1ab7 h LYS 21 CO 0.16 0.14 -1.83 -0.22 -2.27 0.00 0.00 179.45 175.43 1ab7 h LYS 22 N 0.00 0.28 -0.00 1.90 3.64 -0.41 -1.10 116.57 120.88 1ab7 h LYS 22 Ca -0.00 -0.49 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1ab7 h LYS 22 Cb 0.73 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1ab7 h LYS 22 CO 0.02 1.23 -0.03 0.93 -2.27 0.00 0.00 179.45 179.33 1ab7 h GLU 23 N -0.02 0.03 0.00 1.90 4.39 -1.22 -3.24 114.58 116.41 1ab7 h GLU 23 Ca -0.39 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.18 1ab7 h GLU 23 Cb 1.98 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.62 1ab7 h GLU 23 CO 0.09 0.72 -0.52 -0.07 -1.16 0.00 0.00 179.01 178.08 1ab7 h LEU 24 N -0.66 0.00 -2.24 1.33 3.38 -1.28 -3.47 115.31 112.37 1ab7 h LEU 24 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1ab7 h LEU 24 Cb 0.73 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.51 1ab7 h LEU 24 CO 0.01 0.52 -0.14 0.00 0.09 0.00 0.00 178.44 178.91 1ab7 n ALA 25 N -2.29 -0.50 -1.65 1.53 0.00 -0.64 -4.85 120.51 112.11 1ab7 n ALA 25 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 1ab7 n ALA 25 Cb 0.65 -1.01 0.09 0.00 0.00 0.00 0.00 19.45 19.17 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 -2.95 2.53 0.00 0.00 1.43 -0.51 -5.00 118.68 114.17 1ab7 s LEU 26 Ca 0.02 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 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 0.13 -1.96 0.00 -0.81 0.23 0.00 0.00 176.35 173.94 1ab7 n PRO 27 N -3.41 -0.27 -0.02 1.29 -0.04 -1.26 -4.93 135.00 126.36 1ab7 n PRO 27 Ca 0.07 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.36 1ab7 n PRO 27 Cb 0.57 0.00 -0.14 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 0.13 0.00 0.54 4.81 -2.00 -3.23 114.58 114.82 1ab7 h GLU 28 Ca 0.00 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1ab7 h GLU 28 Cb 0.00 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1ab7 h GLU 28 CO 0.00 1.10 0.00 2.48 -0.73 0.00 0.00 179.01 181.86 1ab7 n TYR 29 N -4.40 0.00 -1.35 0.92 0.18 -1.26 -4.79 117.16 106.46 1ab7 n TYR 29 Ca -0.12 0.00 -0.53 0.00 1.88 0.00 0.00 57.90 59.13 1ab7 n TYR 29 Cb 0.63 -0.46 -0.08 0.00 -0.38 0.00 0.00 39.34 39.04 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 -1.46 1.35 -2.67 -3.48 9.36 -1.22 -4.77 117.16 114.27 1ab7 n TYR 30 Ca 0.02 0.89 -0.42 0.00 3.32 0.00 0.00 57.90 61.70 1ab7 n TYR 30 Cb 0.07 -1.76 -0.03 0.00 -0.63 0.00 0.00 39.34 36.99 1ab7 n TYR 30 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1ab7 s GLY 31 N 2.52 1.17 -0.87 2.98 0.00 -1.26 -4.90 107.32 106.96 1ab7 s GLY 31 Ca 0.83 -1.77 -0.17 0.00 0.00 0.00 0.00 44.72 43.61 1ab7 s GLY 31 CO 0.64 2.45 2.21 1.18 0.00 0.00 0.00 173.10 179.57 1ab7 n GLU 32 N 8.61 0.24 -2.22 2.90 1.02 -1.26 -3.87 120.64 126.06 1ab7 n GLU 32 Ca 0.08 -0.44 0.00 0.00 -0.02 0.00 0.00 57.16 56.79 1ab7 n GLU 32 Cb 0.48 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 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 11.78 -0.24 0.20 1.62 0.23 -1.26 -5.01 115.26 122.58 1ab7 n ASN 33 Ca 0.55 -1.06 0.12 0.00 -0.53 0.00 0.00 54.58 53.66 1ab7 n ASN 33 Cb 0.30 0.37 0.18 0.00 -2.08 0.00 0.00 39.78 38.54 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 0.02 -4.53 -0.00 -1.86 -2.26 115.31 106.68 1ab7 h LEU 34 Ca -0.04 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.81 1ab7 h LEU 34 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1ab7 h LEU 34 CO 0.06 0.00 -0.11 -2.24 -0.00 0.00 0.00 178.44 176.15 1ab7 h ASP 35 N 0.00 0.07 0.31 0.17 2.03 -1.95 -0.99 116.42 116.06 1ab7 h ASP 35 Ca 0.00 -0.95 -0.21 0.00 -0.73 0.00 0.00 57.03 55.14 1ab7 h ASP 35 Cb 0.98 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 39.45 1ab7 h ASP 35 CO 0.00 1.02 -0.86 0.00 -1.03 0.00 0.00 179.24 178.36 1ab7 h ALA 36 N 0.06 0.45 0.38 4.15 0.00 -1.68 -0.37 119.26 122.24 1ab7 h ALA 36 Ca -0.02 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1ab7 h ALA 36 Cb 1.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ab7 h ALA 36 CO 0.02 0.80 -0.18 1.25 0.00 0.00 0.00 179.25 181.14 1ab7 h LEU 37 N 0.25 -0.43 -0.76 0.00 5.85 -1.53 0.16 115.31 118.85 1ab7 h LEU 37 Ca -0.06 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.62 1ab7 h LEU 37 Cb 1.48 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.55 1ab7 h LEU 37 CO 0.15 -0.07 0.42 -0.25 -0.34 0.00 0.00 178.44 178.35 1ab7 h TRP 38 N -0.85 0.76 -0.31 1.25 2.91 -1.23 0.63 115.95 119.11 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 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.95 1ab7 h TRP 38 CO 0.02 0.31 0.21 -0.44 -1.03 0.00 0.00 178.44 177.51 1ab7 h ASP 39 N 0.71 0.22 0.00 2.65 3.32 -0.84 -2.13 116.42 120.36 1ab7 h ASP 39 Ca 0.37 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1ab7 h ASP 39 Cb 0.33 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1ab7 h ASP 39 CO -0.24 0.15 -0.00 0.00 -1.72 0.00 0.00 179.24 177.42 1ab7 h ALA 40 N 1.83 0.00 -0.48 3.45 0.00 0.31 -3.28 119.26 121.09 1ab7 h ALA 40 Ca 0.13 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1ab7 h ALA 40 Cb 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1ab7 h ALA 40 CO -0.03 0.00 -0.28 1.28 0.00 0.00 0.00 179.25 180.23 1ab7 n LEU 41 N -2.13 -0.50 -2.61 0.00 4.77 0.12 0.26 117.00 116.90 1ab7 n LEU 41 Ca -0.00 1.09 -0.26 0.00 -0.03 0.00 0.00 56.01 56.81 1ab7 n LEU 41 Cb 0.00 -0.23 -0.08 0.00 -2.33 0.00 0.00 43.42 40.78 1ab7 n LEU 41 CO 0.00 -0.81 2.01 1.07 -1.33 0.00 0.00 177.39 178.33 1ab7 n THR 42 N -4.16 3.69 0.00 -5.08 5.66 -0.80 -3.48 114.28 110.10 1ab7 n THR 42 Ca 0.01 -2.65 0.00 0.00 -3.05 0.00 0.00 64.05 58.36 1ab7 n THR 42 Cb 0.12 -1.97 0.00 0.00 -1.55 0.00 0.00 70.33 66.94 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 1.97 0.00 0.10 1.09 0.00 0.31 -4.87 105.19 103.79 1ab7 n GLY 43 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.13 -1.37 1.61 -0.00 0.73 -4.66 117.44 113.62 1ab7 n TRP 44 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.50 57.19 1ab7 n TRP 44 Cb 0.00 0.03 0.09 0.00 -0.00 0.00 0.00 31.31 31.42 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 -1.17 3.39 -0.31 5.87 1.01 -0.89 -4.93 120.40 123.37 1ab7 s VAL 45 Ca 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 1ab7 s VAL 45 Cb 0.00 -3.04 0.05 0.00 0.00 0.00 0.00 36.38 33.39 1ab7 s VAL 45 CO 0.00 -0.59 0.01 -1.61 0.00 0.00 0.00 175.10 172.91 1ab7 s GLU 46 N -4.98 2.40 0.49 2.72 2.02 -1.26 -4.95 118.70 115.14 1ab7 s GLU 46 Ca 0.61 -1.30 -0.05 0.00 0.02 0.00 0.00 54.97 54.25 1ab7 s GLU 46 Cb -0.16 -3.20 -0.03 0.00 0.10 0.00 0.00 34.13 30.84 1ab7 s GLU 46 CO 0.56 -0.64 0.78 0.71 0.02 0.00 0.00 175.26 176.68 1ab7 s TYR 47 N 1.25 3.49 0.33 1.61 2.02 -1.26 -2.30 117.35 122.49 1ab7 s TYR 47 Ca -0.04 0.72 -0.28 0.00 -0.37 0.00 0.00 57.07 57.10 1ab7 s TYR 47 Cb -0.20 -2.34 -0.09 0.00 -0.40 0.00 0.00 41.96 38.93 1ab7 s TYR 47 CO -0.01 -0.34 1.16 -1.25 -1.57 0.00 0.00 175.55 173.54 1ab7 s PRO 48 N -4.74 4.41 0.30 -1.71 0.04 -1.26 -4.77 135.00 127.27 1ab7 s PRO 48 Ca 0.48 1.89 0.09 0.00 0.04 0.00 0.00 61.00 63.50 1ab7 s PRO 48 Cb -0.10 -3.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 1ab7 s PRO 48 CO 0.44 -0.02 0.03 -1.17 0.04 0.00 0.00 177.00 176.31 1ab7 s LEU 49 N -1.84 3.14 -0.31 -3.56 2.96 -0.44 0.13 118.68 118.75 1ab7 s LEU 49 Ca 0.49 -0.77 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 1ab7 s LEU 49 Cb -0.33 -1.61 0.09 0.00 0.50 0.00 0.00 46.19 44.84 1ab7 s LEU 49 CO 0.42 -0.13 0.05 -0.69 -1.32 0.00 0.00 176.35 174.69 1ab7 s VAL 50 N -2.40 1.61 -1.37 1.68 1.01 0.16 -1.16 120.40 119.94 1ab7 s VAL 50 Ca 0.34 -1.79 -0.11 0.00 0.00 0.00 0.00 61.98 60.42 1ab7 s VAL 50 Cb -0.04 -2.15 0.10 0.00 0.00 0.00 0.00 36.38 34.30 1ab7 s VAL 50 CO 0.20 -0.55 2.11 -0.11 0.00 0.00 0.00 175.10 176.76 1ab7 n LEU 51 N 4.55 6.99 -4.57 3.92 7.94 -0.19 0.39 117.00 136.03 1ab7 n LEU 51 Ca -0.01 -4.47 -0.24 0.00 -1.11 0.00 0.00 56.01 50.18 1ab7 n LEU 51 Cb 0.42 -1.54 -0.07 0.00 0.53 0.00 0.00 43.42 42.77 1ab7 n LEU 51 CO 0.17 1.39 1.35 -0.70 -1.11 0.00 0.00 177.39 178.50 1ab7 s GLU 52 N 1.35 2.21 -0.87 1.96 2.56 0.50 -1.58 118.70 124.83 1ab7 s GLU 52 Ca 0.45 -0.57 -0.25 0.00 0.00 0.00 0.00 54.97 54.60 1ab7 s GLU 52 Cb 0.12 -5.09 0.03 0.00 2.00 0.00 0.00 34.13 31.19 1ab7 s GLU 52 CO -0.04 -4.07 1.46 -0.46 -0.56 0.00 0.00 175.26 171.59 1ab7 s TRP 53 N 12.06 2.30 0.00 5.30 -0.11 -0.18 -1.28 118.94 137.03 1ab7 s TRP 53 Ca 0.74 -0.28 0.00 0.00 1.22 0.00 0.00 56.10 57.78 1ab7 s TRP 53 Cb -0.05 -4.57 0.00 0.00 -1.50 0.00 0.00 33.47 27.35 1ab7 s TRP 53 CO 0.09 -2.00 0.00 0.54 -4.62 0.00 0.00 176.95 170.95 1ab7 n ARG 54 N 9.10 0.00 -1.66 5.86 5.12 0.12 -3.87 116.66 131.33 1ab7 n ARG 54 Ca 0.21 0.00 -0.58 0.00 -1.93 0.00 0.00 57.85 55.55 1ab7 n ARG 54 Cb 0.50 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.73 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 0.00 0.82 0.00 5.56 6.02 -1.24 -4.67 117.38 123.87 1ab7 n GLN 55 Ca 0.00 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1ab7 n GLN 55 Cb 0.00 -1.92 0.00 0.00 1.02 0.00 0.00 30.24 29.34 1ab7 n GLN 55 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ab7 n PHE 56 N 3.83 0.00 -0.06 1.08 -0.00 -1.26 -3.35 117.46 117.69 1ab7 n PHE 56 Ca 0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.64 1ab7 n PHE 56 Cb 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.55 1ab7 n PHE 56 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1ab7 h GLU 57 N 0.00 0.00 0.00 -4.13 4.39 -1.98 -3.31 114.58 109.54 1ab7 h GLU 57 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ab7 h GLU 57 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1ab7 h GLU 57 CO 0.00 0.34 0.00 0.00 -1.16 0.00 0.00 179.01 178.19 1ab7 n GLN 58 N -4.72 0.00 -0.15 2.33 10.64 -1.26 -2.20 117.38 122.02 1ab7 n GLN 58 Ca -0.04 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.26 1ab7 n GLN 58 Cb 0.17 -0.03 0.23 0.00 -0.86 0.00 0.00 30.24 29.76 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 0.00 0.09 0.00 2.61 3.41 -1.26 -1.38 113.62 117.09 1ab7 n SER 59 Ca 0.00 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1ab7 n SER 59 Cb 0.00 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1ab7 n SER 59 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ab7 n LYS 60 N -3.52 0.00 0.13 4.33 4.81 -0.97 -2.90 118.16 120.04 1ab7 n LYS 60 Ca 0.14 0.37 0.12 0.00 -0.87 0.00 0.00 58.31 58.07 1ab7 n LYS 60 Cb 0.52 -1.29 0.50 0.00 0.02 0.00 0.00 35.03 34.78 1ab7 n LYS 60 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1ab7 n GLN 61 N -1.51 0.20 0.00 1.64 7.27 -0.48 -2.29 117.38 122.21 1ab7 n GLN 61 Ca 0.00 0.44 0.08 0.00 0.07 0.00 0.00 57.00 57.59 1ab7 n GLN 61 Cb 0.00 -1.88 0.46 0.00 2.41 0.00 0.00 30.24 31.22 1ab7 n GLN 61 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1ab7 n LEU 62 N -2.26 0.00 0.00 1.69 4.32 -0.56 -4.60 117.00 115.60 1ab7 n LEU 62 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 1ab7 n LEU 62 Cb 0.22 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 1ab7 n LEU 62 CO 0.19 0.00 0.00 1.07 -1.22 0.00 0.00 177.39 177.43 1ab7 n THR 63 N -0.81 0.00 0.00 -5.08 5.66 -0.97 -4.65 114.28 108.43 1ab7 n THR 63 Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 1ab7 n THR 63 Cb 0.05 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 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 0.00 -1.08 1.09 0.28 -1.23 -4.91 120.64 114.79 1ab7 n GLU 64 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1ab7 n GLU 64 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 1ab7 n GLU 64 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1ab7 n ASN 65 N 0.00 -3.39 0.15 -1.84 2.85 -1.25 -4.95 115.26 106.83 1ab7 n ASN 65 Ca 0.00 0.07 -0.06 0.00 -0.11 0.00 0.00 54.58 54.47 1ab7 n ASN 65 Cb 0.00 -1.13 -0.03 0.00 1.24 0.00 0.00 39.78 39.86 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1ab7 h GLY 66 N 0.00 -0.43 0.84 8.20 0.00 -1.86 0.27 103.07 110.09 1ab7 h GLY 66 Ca -0.06 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.46 1ab7 h GLY 66 CO 0.08 -0.16 0.27 0.00 0.00 0.00 0.00 176.54 176.73 1ab7 h ALA 67 N -1.55 0.60 0.00 3.60 0.00 -1.82 0.94 119.26 121.03 1ab7 h ALA 67 Ca -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ab7 h ALA 67 Cb 0.31 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ab7 h ALA 67 CO 0.07 -0.05 -0.00 1.49 0.00 0.00 0.00 179.25 180.75 1ab7 h GLU 68 N 0.53 0.00 0.00 0.00 4.22 -1.90 -1.69 114.58 115.74 1ab7 h GLU 68 Ca 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.61 1ab7 h GLU 68 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ab7 h GLU 68 CO -0.11 0.00 -0.23 0.77 -2.18 0.00 0.00 179.01 177.27 1ab7 h SER 69 N 0.00 0.00 -0.64 1.04 0.02 0.14 -0.18 113.55 113.93 1ab7 h SER 69 Ca -0.00 -0.24 0.18 0.00 -0.84 0.00 0.00 61.79 60.90 1ab7 h SER 69 Cb 0.07 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1ab7 h SER 69 CO 0.00 0.74 0.59 0.58 -1.14 0.00 0.00 176.83 177.60 1ab7 h VAL 70 N -1.00 0.39 0.21 2.27 2.07 -1.12 0.54 116.25 119.61 1ab7 h VAL 70 Ca -0.03 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.20 1ab7 h VAL 70 Cb 0.42 0.55 0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1ab7 h VAL 70 CO -0.02 0.00 -1.26 0.25 0.02 0.00 0.00 177.57 176.56 1ab7 h LEU 71 N 0.00 0.70 -2.15 2.57 5.85 -1.34 -0.21 115.31 120.72 1ab7 h LEU 71 Ca 0.30 -0.93 0.07 0.00 0.84 0.00 0.00 57.88 58.16 1ab7 h LEU 71 Cb 1.48 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1ab7 h LEU 71 CO -0.00 1.61 0.22 1.56 -0.34 0.00 0.00 178.44 181.48 1ab7 h GLN 72 N -0.05 0.00 0.04 1.25 4.20 0.19 -0.26 115.11 120.49 1ab7 h GLN 72 Ca -0.22 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.34 1ab7 h GLN 72 Cb 1.97 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.75 1ab7 h GLN 72 CO 0.22 0.00 -0.77 0.28 -0.67 0.00 0.00 178.83 177.90 1ab7 h VAL 73 N 0.00 1.35 -0.06 -0.54 2.07 -1.11 -0.47 116.25 117.48 1ab7 h VAL 73 Ca 0.11 -2.34 0.04 0.00 0.82 0.00 0.00 66.70 65.33 1ab7 h VAL 73 Cb 0.54 2.90 -0.06 0.00 -1.52 0.00 0.00 31.29 33.15 1ab7 h VAL 73 CO -0.00 0.56 -0.31 -0.26 0.02 0.00 0.00 177.57 177.59 1ab7 h PHE 74 N -0.76 -0.84 -0.86 1.57 0.04 -0.28 0.12 116.94 115.94 1ab7 h PHE 74 Ca -0.18 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.60 1ab7 h PHE 74 Cb 1.34 0.38 -0.04 0.00 2.20 0.00 0.00 35.95 39.83 1ab7 h PHE 74 CO 0.18 -0.39 0.47 0.00 -0.60 0.00 0.00 178.31 177.98 1ab7 h ARG 75 N -0.42 1.19 -0.36 1.51 3.08 -1.21 -0.77 114.38 117.40 1ab7 h ARG 75 Ca 0.08 -0.14 0.10 0.00 0.07 0.00 0.00 59.98 60.10 1ab7 h ARG 75 Cb 0.54 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1ab7 h ARG 75 CO -0.30 0.87 0.29 0.93 -1.07 0.00 0.00 179.97 180.69 1ab7 h GLU 76 N 1.19 0.00 0.00 0.04 5.08 0.79 0.31 114.58 121.99 1ab7 h GLU 76 Ca 0.30 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1ab7 h GLU 76 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ab7 h GLU 76 CO -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 177.95 1ab7 h ALA 77 N 1.76 0.00 0.00 3.43 0.00 0.53 -1.49 119.26 123.49 1ab7 h ALA 77 Ca 0.17 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ab7 h ALA 77 Cb 0.74 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ab7 h ALA 77 CO -0.00 0.01 0.00 0.36 0.00 0.00 0.00 179.25 179.61 1ab7 n LYS 78 N -4.64 0.07 0.00 0.00 -0.00 -0.66 0.16 118.16 113.11 1ab7 n LYS 78 Ca -0.09 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 58.73 1ab7 n LYS 78 Cb 0.41 -1.71 0.00 0.00 -0.00 0.00 0.00 35.03 33.73 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 -1.63 0.00 -0.02 0.58 0.00 0.10 -4.58 120.51 114.96 1ab7 n ALA 79 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 1ab7 n ALA 79 Cb 0.07 0.00 -0.08 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 -0.52 0.00 0.00 4.39 -1.25 -3.44 114.58 113.76 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 0.00 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1ab7 h GLU 80 CO 0.00 -0.34 0.00 0.41 -1.16 0.00 0.00 179.01 177.92 1ab7 n GLY 81 N -1.43 0.11 3.09 -3.84 0.00 -0.77 -5.10 105.19 97.25 1ab7 n GLY 81 Ca -0.05 -0.06 -0.37 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 -0.79 -3.31 -2.77 4.61 0.00 0.43 -4.83 120.51 113.85 1ab7 n ALA 82 Ca 0.00 -0.12 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 1ab7 n ALA 82 Cb 0.00 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 2.52 6.30 -4.35 0.00 8.00 -1.26 -3.67 116.55 124.09 1ab7 n ASP 83 Ca 0.06 -3.67 -0.36 0.00 0.71 0.00 0.00 54.79 51.53 1ab7 n ASP 83 Cb 0.46 -0.96 -0.13 0.00 -0.02 0.00 0.00 41.12 40.47 1ab7 n ASP 83 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ab7 s ILE 84 N -4.29 3.82 -0.61 0.53 1.01 -1.26 -1.33 121.20 119.07 1ab7 s ILE 84 Ca 0.42 -0.56 -0.28 0.00 0.00 0.00 0.00 60.65 60.23 1ab7 s ILE 84 Cb 0.21 -2.88 0.03 0.00 0.01 0.00 0.00 42.46 39.83 1ab7 s ILE 84 CO -0.12 0.22 1.25 -0.89 0.00 0.00 0.00 174.94 175.40 1ab7 s THR 85 N 1.51 3.91 -0.08 2.92 2.01 -0.30 -4.45 115.64 121.15 1ab7 s THR 85 Ca 0.04 0.76 -0.24 0.00 0.31 0.00 0.00 61.69 62.56 1ab7 s THR 85 Cb -0.16 -4.72 -0.03 0.00 0.01 0.00 0.00 72.50 67.60 1ab7 s THR 85 CO 0.01 -1.42 0.76 -0.63 -0.69 0.00 0.00 174.62 172.64 1ab7 s ILE 86 N 5.32 5.00 -0.03 1.82 1.09 -1.26 -1.02 121.20 132.11 1ab7 s ILE 86 Ca 0.43 1.54 0.07 0.00 -1.10 0.00 0.00 60.65 61.59 1ab7 s ILE 86 Cb -0.08 -4.09 -0.01 0.00 -1.06 0.00 0.00 42.46 37.22 1ab7 s ILE 86 CO 0.23 0.20 -0.22 -0.63 -0.10 0.00 0.00 174.94 174.41 1ab7 s ILE 87 N 1.10 1.79 -0.39 2.92 1.01 -0.62 -4.95 121.20 122.06 1ab7 s ILE 87 Ca 0.39 -0.96 0.09 0.00 0.00 0.00 0.00 60.65 60.18 1ab7 s ILE 87 Cb -0.18 -1.49 0.28 0.00 0.01 0.00 0.00 42.46 41.08 1ab7 s ILE 87 CO 0.18 0.51 0.59 0.18 0.00 0.00 0.00 174.94 176.40 1ab7 n LEU 88 N 2.65 0.49 0.00 2.97 4.77 -1.26 -1.01 117.00 125.61 1ab7 n LEU 88 Ca -0.16 -4.81 0.00 0.00 -0.03 0.00 0.00 56.01 51.01 1ab7 n LEU 88 Cb 0.52 0.63 0.00 0.00 -2.33 0.00 0.00 43.42 42.24 1ab7 n LEU 88 CO 0.24 2.14 0.16 -0.24 -1.33 0.00 0.00 177.39 178.36