#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 0.69 0.13 1.97 2.20 -1.26 0.15 119.74 123.62 1ab7 s LYS 2 Ca 0.00 -0.98 -0.14 0.00 -0.36 0.00 0.00 55.97 54.49 1ab7 s LYS 2 Cb 0.00 -1.96 -0.07 0.00 -1.51 0.00 0.00 37.83 34.30 1ab7 s LYS 2 CO 0.00 -0.95 0.52 0.00 -0.36 0.00 0.00 175.35 174.56 1ab7 s ALA 3 N 1.66 3.60 -0.07 3.13 0.00 0.19 -4.85 121.76 125.43 1ab7 s ALA 3 Ca 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 51.96 51.88 1ab7 s ALA 3 Cb -0.17 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.49 1ab7 s ALA 3 CO -0.24 0.47 -0.04 0.08 0.00 0.00 0.00 175.76 176.03 1ab7 s VAL 4 N -1.43 0.59 -0.45 0.00 1.01 -1.26 -0.44 120.40 118.42 1ab7 s VAL 4 Ca 0.36 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 1ab7 s VAL 4 Cb -0.15 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.60 1ab7 s VAL 4 CO 0.19 0.27 0.47 -0.63 0.00 0.00 0.00 175.10 175.40 1ab7 s ILE 5 N 1.50 5.08 -0.70 2.22 -1.09 -0.46 -4.90 121.20 122.85 1ab7 s ILE 5 Ca -0.01 -0.57 -0.07 0.00 -2.23 0.00 0.00 60.65 57.76 1ab7 s ILE 5 Cb -0.13 -4.12 0.18 0.00 -1.58 0.00 0.00 42.46 36.81 1ab7 s ILE 5 CO -0.04 -0.55 0.57 0.20 -1.23 0.00 0.00 174.94 173.90 1ab7 s ASN 6 N 2.20 5.86 0.04 3.58 0.01 -1.26 -0.45 114.94 124.92 1ab7 s ASN 6 Ca 0.11 -2.78 0.12 0.00 -0.71 0.00 0.00 52.86 49.60 1ab7 s ASN 6 Cb -0.19 -2.00 0.53 0.00 0.41 0.00 0.00 41.25 39.99 1ab7 s ASN 6 CO 0.11 -0.46 1.38 0.61 -1.51 0.00 0.00 177.10 177.24 1ab7 n GLY 7 N 3.70 -0.90 0.23 0.66 0.00 -1.26 -1.68 105.19 105.95 1ab7 n GLY 7 Ca 0.10 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.27 1ab7 n GLY 7 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ab7 h GLU 8 N 0.00 0.00 0.00 1.61 4.57 -1.90 -2.96 114.58 115.90 1ab7 h GLU 8 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 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 -1.09 0.94 -1.18 0.00 0.00 179.01 177.68 1ab7 n GLN 9 N -2.73 0.66 -2.16 1.92 7.27 -0.67 -4.95 117.38 116.73 1ab7 n GLN 9 Ca 0.00 -0.01 -0.43 0.00 0.07 0.00 0.00 57.00 56.63 1ab7 n GLN 9 Cb 0.20 -1.04 -0.02 0.00 2.41 0.00 0.00 30.24 31.78 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 -2.11 3.66 -0.01 1.69 -1.09 -0.93 -4.84 121.20 117.56 1ab7 s ILE 10 Ca -0.01 0.66 -0.21 0.00 -2.23 0.00 0.00 60.65 58.87 1ab7 s ILE 10 Cb 0.01 -3.91 -0.23 0.00 -1.58 0.00 0.00 42.46 36.75 1ab7 s ILE 10 CO 0.07 -0.59 1.08 0.03 -1.23 0.00 0.00 174.94 174.31 1ab7 h ARG 11 N 11.96 0.36 -4.60 2.79 3.08 -1.92 -3.46 114.38 122.58 1ab7 h ARG 11 Ca -0.31 -0.38 -0.30 0.00 0.07 0.00 0.00 59.98 59.06 1ab7 h ARG 11 Cb 1.14 0.11 -0.14 0.00 0.08 0.00 0.00 29.97 31.16 1ab7 h ARG 11 CO 1.06 1.06 -0.52 -1.54 -1.07 0.00 0.00 179.97 178.97 1ab7 s SER 12 N -6.65 0.67 0.58 7.04 1.04 -1.26 -4.99 113.70 110.13 1ab7 s SER 12 Ca -0.14 -1.48 0.30 0.00 0.48 0.00 0.00 55.95 55.11 1ab7 s SER 12 Cb 0.03 0.47 1.66 0.00 0.10 0.00 0.00 66.02 68.28 1ab7 s SER 12 CO 0.80 -0.96 1.92 -0.29 0.98 0.00 0.00 173.24 175.69 1ab7 h ILE 13 N 2.41 0.00 -0.61 -1.02 6.09 -1.90 -0.42 117.51 122.06 1ab7 h ILE 13 Ca -0.31 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.17 1ab7 h ILE 13 Cb 1.24 0.68 -0.03 0.00 0.47 0.00 0.00 36.82 39.18 1ab7 h ILE 13 CO 0.46 0.00 0.37 0.28 -3.07 0.00 0.00 178.15 176.19 1ab7 h SER 14 N 0.00 0.73 1.17 2.19 0.02 -1.99 -1.15 113.55 114.52 1ab7 h SER 14 Ca 0.00 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 1ab7 h SER 14 Cb 0.42 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1ab7 h SER 14 CO 0.00 0.57 -0.24 0.44 -1.14 0.00 0.00 176.83 176.46 1ab7 h ASP 15 N 0.83 0.00 0.26 3.07 5.19 -1.47 -3.15 116.42 121.15 1ab7 h ASP 15 Ca 0.22 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 1ab7 h ASP 15 Cb -0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1ab7 h ASP 15 CO -0.04 0.24 -0.13 0.25 -3.12 0.00 0.00 179.24 176.44 1ab7 h LEU 16 N 0.00 -0.30 -2.26 1.55 5.85 -1.13 -0.55 115.31 118.46 1ab7 h LEU 16 Ca -0.00 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1ab7 h LEU 16 Cb 0.89 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 1ab7 h LEU 16 CO 0.03 -0.03 0.24 0.45 -0.34 0.00 0.00 178.44 178.79 1ab7 h HIS 17 N -0.57 0.00 0.11 1.25 3.86 -1.30 0.27 115.15 118.76 1ab7 h HIS 17 Ca -0.04 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.90 1ab7 h HIS 17 Cb 0.42 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.89 1ab7 h HIS 17 CO -0.00 0.00 -1.28 1.96 0.86 0.00 0.00 177.93 179.47 1ab7 h GLN 18 N 0.00 0.23 -0.28 2.45 4.20 -1.29 0.61 115.11 121.03 1ab7 h GLN 18 Ca 0.06 -0.39 -0.17 0.00 0.06 0.00 0.00 58.65 58.20 1ab7 h GLN 18 Cb 0.53 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 1ab7 h GLN 18 CO -0.00 1.16 -0.51 1.15 -0.67 0.00 0.00 178.83 179.96 1ab7 h THR 19 N 0.06 1.29 0.12 -0.54 2.02 0.10 0.47 112.91 116.43 1ab7 h THR 19 Ca -0.14 -1.71 -0.27 0.00 0.77 0.00 0.00 66.41 65.06 1ab7 h THR 19 Cb 1.96 1.61 0.01 0.00 -1.74 0.00 0.00 68.15 69.99 1ab7 h THR 19 CO 0.19 0.55 -1.22 -0.07 0.37 0.00 0.00 175.52 175.34 1ab7 h LEU 20 N 0.62 0.46 -1.24 2.58 3.38 -1.35 -1.36 115.31 118.40 1ab7 h LEU 20 Ca 0.02 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1ab7 h LEU 20 Cb 1.10 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1ab7 h LEU 20 CO 0.11 1.36 -0.03 0.50 0.09 0.00 0.00 178.44 180.46 1ab7 h LYS 21 N 0.10 0.00 0.16 1.13 3.64 -0.76 -0.00 116.57 120.84 1ab7 h LYS 21 Ca -0.13 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.90 1ab7 h LYS 21 Cb 1.93 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 1ab7 h LYS 21 CO 0.20 0.03 -1.80 -0.22 -2.27 0.00 0.00 179.45 175.40 1ab7 h LYS 22 N 0.00 0.34 0.04 1.90 3.64 0.11 -1.64 116.57 120.97 1ab7 h LYS 22 Ca -0.00 -0.59 -0.00 0.00 -1.27 0.00 0.00 60.65 58.79 1ab7 h LYS 22 Cb 0.61 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1ab7 h LYS 22 CO 0.00 1.28 -0.02 0.93 -2.27 0.00 0.00 179.45 179.38 1ab7 h GLU 23 N 0.06 -0.05 0.00 1.90 4.39 -1.14 -3.30 114.58 116.43 1ab7 h GLU 23 Ca -0.37 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.31 1ab7 h GLU 23 Cb 2.05 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 30.71 1ab7 h GLU 23 CO 0.14 0.48 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.26 1ab7 h LEU 24 N -0.96 0.00 -2.11 1.33 3.38 -1.20 -3.47 115.31 112.29 1ab7 h LEU 24 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1ab7 h LEU 24 Cb 0.56 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.41 1ab7 h LEU 24 CO 0.01 0.14 -0.45 0.00 0.09 0.00 0.00 178.44 178.23 1ab7 n ALA 25 N -2.16 -1.29 -1.90 1.53 0.00 -0.66 -4.81 120.51 111.22 1ab7 n ALA 25 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 1ab7 n ALA 25 Cb 0.45 -2.22 0.05 0.00 0.00 0.00 0.00 19.45 17.73 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 -4.40 2.84 0.00 0.00 1.43 -0.93 -5.00 118.68 112.62 1ab7 s LEU 26 Ca 0.09 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 1ab7 s LEU 26 Cb -0.01 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1ab7 s LEU 26 CO 0.41 -1.44 0.00 -0.81 0.23 0.00 0.00 176.35 174.74 1ab7 n PRO 27 N -3.05 0.33 -0.04 1.29 -0.04 -1.26 -4.93 135.00 127.30 1ab7 n PRO 27 Ca 0.07 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.43 1ab7 n PRO 27 Cb 0.58 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.03 0.00 0.54 4.57 -2.01 -3.22 114.58 114.43 1ab7 h GLU 28 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ab7 h GLU 28 Cb 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1ab7 h GLU 28 CO 0.00 0.63 0.00 2.48 -1.18 0.00 0.00 179.01 180.94 1ab7 n TYR 29 N -4.71 0.37 -0.99 0.92 4.11 -1.26 -4.79 117.16 110.82 1ab7 n TYR 29 Ca -0.07 0.19 -0.32 0.00 -0.00 0.00 0.00 57.90 57.69 1ab7 n TYR 29 Cb 0.32 -0.80 -0.01 0.00 -0.00 0.00 0.00 39.34 38.85 1ab7 n TYR 29 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.86 177.84 1ab7 n TYR 30 N -1.88 -1.32 -4.00 -3.48 9.36 -1.22 -4.96 117.16 109.66 1ab7 n TYR 30 Ca -0.00 0.53 -0.17 0.00 3.32 0.00 0.00 57.90 61.57 1ab7 n TYR 30 Cb 0.04 -1.36 -0.16 0.00 -0.63 0.00 0.00 39.34 37.22 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 -0.75 0.26 0.00 2.98 0.00 -1.26 -5.00 107.32 103.55 1ab7 s GLY 31 Ca 0.45 0.08 0.20 0.00 0.00 0.00 0.00 44.72 45.45 1ab7 s GLY 31 CO 0.46 0.43 1.61 -1.84 0.00 0.00 0.00 173.10 173.77 1ab7 n GLU 32 N 3.91 0.72 -0.54 2.90 0.00 -1.26 -0.84 120.64 125.53 1ab7 n GLU 32 Ca -0.24 0.00 -0.23 0.00 0.00 0.00 0.00 57.16 56.69 1ab7 n GLU 32 Cb 0.52 -1.44 0.21 0.00 0.00 0.00 0.00 31.44 30.73 1ab7 n GLU 32 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1ab7 n ASN 33 N -0.94 -2.60 0.14 -1.84 0.23 -1.26 -3.76 115.26 105.23 1ab7 n ASN 33 Ca 0.15 -0.87 0.13 0.00 -0.53 0.00 0.00 54.58 53.46 1ab7 n ASN 33 Cb 0.07 -0.76 0.31 0.00 -2.08 0.00 0.00 39.78 37.32 1ab7 n ASN 33 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1ab7 h LEU 34 N 0.00 0.00 0.00 -4.53 3.38 -1.87 -2.70 115.31 109.60 1ab7 h LEU 34 Ca -0.31 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1ab7 h LEU 34 Cb 0.98 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1ab7 h LEU 34 CO 0.20 0.00 -0.18 -2.24 0.09 0.00 0.00 178.44 176.30 1ab7 h ASP 35 N 0.00 0.00 -0.09 -0.43 2.03 -1.90 -3.07 116.42 112.96 1ab7 h ASP 35 Ca 0.00 -0.28 -0.06 0.00 -0.73 0.00 0.00 57.03 55.96 1ab7 h ASP 35 Cb 0.83 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.33 1ab7 h ASP 35 CO 0.00 0.74 -0.16 0.00 -1.03 0.00 0.00 179.24 178.79 1ab7 h ALA 36 N -0.72 0.14 0.65 4.15 0.00 -1.73 0.32 119.26 122.08 1ab7 h ALA 36 Ca -0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1ab7 h ALA 36 Cb 0.43 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ab7 h ALA 36 CO -0.02 0.05 -0.31 1.25 0.00 0.00 0.00 179.25 180.22 1ab7 h LEU 37 N -0.18 -0.74 -0.91 0.00 5.85 -0.63 0.17 115.31 118.86 1ab7 h LEU 37 Ca 0.01 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.83 1ab7 h LEU 37 Cb 0.74 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.88 1ab7 h LEU 37 CO 0.04 -0.49 0.56 -0.25 -0.34 0.00 0.00 178.44 177.95 1ab7 h TRP 38 N -0.93 1.01 -0.50 1.25 2.91 -1.63 0.59 115.95 118.65 1ab7 h TRP 38 Ca -0.09 0.03 0.09 0.00 1.13 0.00 0.00 58.89 60.05 1ab7 h TRP 38 Cb 0.69 -0.32 -0.03 0.00 -0.51 0.00 0.00 29.16 28.99 1ab7 h TRP 38 CO -0.02 0.44 0.34 -0.44 -1.03 0.00 0.00 178.44 177.73 1ab7 h ASP 39 N 0.93 0.28 0.00 2.65 3.32 -0.31 -1.03 116.42 122.27 1ab7 h ASP 39 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1ab7 h ASP 39 Cb 0.36 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1ab7 h ASP 39 CO -0.24 0.17 -0.00 0.00 -1.72 0.00 0.00 179.24 177.46 1ab7 h ALA 40 N 1.74 0.00 -0.90 3.45 0.00 0.30 -3.32 119.26 120.53 1ab7 h ALA 40 Ca 0.23 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.24 1ab7 h ALA 40 Cb 0.50 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.13 1ab7 h ALA 40 CO -0.05 0.00 -0.28 1.28 0.00 0.00 0.00 179.25 180.20 1ab7 n LEU 41 N -2.07 -0.44 -1.97 0.00 4.77 0.41 0.22 117.00 117.93 1ab7 n LEU 41 Ca -0.00 1.56 -0.13 0.00 -0.03 0.00 0.00 56.01 57.41 1ab7 n LEU 41 Cb 0.00 -0.42 -0.08 0.00 -2.33 0.00 0.00 43.42 40.59 1ab7 n LEU 41 CO 0.00 -1.45 1.41 0.35 -1.33 0.00 0.00 177.39 176.37 1ab7 n THR 42 N -5.41 2.80 0.00 -5.08 -2.24 -0.39 -3.80 114.28 100.16 1ab7 n THR 42 Ca 0.12 -1.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.32 1ab7 n THR 42 Cb 0.41 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 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 0.00 3.38 0.00 0.32 -4.89 105.19 105.65 1ab7 n GLY 43 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 -1.67 1.61 -0.00 0.59 -4.75 117.44 113.22 1ab7 n TRP 44 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.21 1ab7 n TRP 44 Cb 0.00 0.00 0.11 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 -0.95 2.22 -0.28 5.87 1.01 -1.06 -4.93 120.40 122.29 1ab7 s VAL 45 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1ab7 s VAL 45 Cb 0.00 -2.91 0.08 0.00 0.00 0.00 0.00 36.38 33.55 1ab7 s VAL 45 CO 0.00 -0.10 0.02 -1.61 0.00 0.00 0.00 175.10 173.41 1ab7 s GLU 46 N -5.36 1.29 0.63 2.72 2.02 -1.26 -4.96 118.70 113.77 1ab7 s GLU 46 Ca 0.63 -1.22 -0.10 0.00 0.02 0.00 0.00 54.97 54.29 1ab7 s GLU 46 Cb -0.13 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.52 1ab7 s GLU 46 CO 0.52 -0.80 1.02 0.71 0.02 0.00 0.00 175.26 176.73 1ab7 s TYR 47 N 1.35 3.50 0.13 1.61 2.02 -1.26 -0.80 117.35 123.91 1ab7 s TYR 47 Ca 0.03 1.13 -0.31 0.00 -0.37 0.00 0.00 57.07 57.55 1ab7 s TYR 47 Cb -0.18 -2.79 -0.08 0.00 -0.40 0.00 0.00 41.96 38.51 1ab7 s TYR 47 CO -0.12 -0.81 1.31 -1.25 -1.57 0.00 0.00 175.55 173.11 1ab7 s PRO 48 N -5.18 4.38 0.15 -1.71 0.04 -1.26 -4.67 135.00 126.74 1ab7 s PRO 48 Ca 0.55 1.99 0.04 0.00 0.04 0.00 0.00 61.00 63.62 1ab7 s PRO 48 Cb -0.11 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1ab7 s PRO 48 CO 0.52 -0.32 0.18 -1.17 0.04 0.00 0.00 177.00 176.25 1ab7 s LEU 49 N 0.69 4.00 -0.37 -3.56 2.96 -0.12 0.72 118.68 123.00 1ab7 s LEU 49 Ca 0.60 -0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 1ab7 s LEU 49 Cb -0.35 -2.60 0.11 0.00 0.50 0.00 0.00 46.19 43.85 1ab7 s LEU 49 CO 0.32 0.08 0.11 -0.69 -1.32 0.00 0.00 176.35 174.85 1ab7 s VAL 50 N -1.71 1.95 -1.45 1.68 1.01 0.12 -0.47 120.40 121.53 1ab7 s VAL 50 Ca 0.32 -2.32 -0.10 0.00 0.00 0.00 0.00 61.98 59.88 1ab7 s VAL 50 Cb -0.11 -2.42 0.04 0.00 0.00 0.00 0.00 36.38 33.89 1ab7 s VAL 50 CO 0.25 -0.68 2.40 -0.11 0.00 0.00 0.00 175.10 176.97 1ab7 n LEU 51 N 4.13 7.60 -4.57 3.92 7.94 0.57 0.57 117.00 137.17 1ab7 n LEU 51 Ca 0.03 -4.44 -0.20 0.00 -1.11 0.00 0.00 56.01 50.29 1ab7 n LEU 51 Cb 0.40 -1.54 -0.08 0.00 0.53 0.00 0.00 43.42 42.73 1ab7 n LEU 51 CO 0.22 1.62 1.27 -0.70 -1.11 0.00 0.00 177.39 178.69 1ab7 s GLU 52 N 1.58 1.89 -0.71 1.96 2.12 0.41 -1.56 118.70 124.39 1ab7 s GLU 52 Ca 0.53 -0.31 -0.27 0.00 0.36 0.00 0.00 54.97 55.29 1ab7 s GLU 52 Cb 0.15 -5.00 0.03 0.00 0.26 0.00 0.00 34.13 29.57 1ab7 s GLU 52 CO -0.06 -4.40 1.26 -0.46 -0.54 0.00 0.00 175.26 171.06 1ab7 s TRP 53 N 13.53 2.34 -0.14 5.30 -0.11 -1.19 -1.35 118.94 137.33 1ab7 s TRP 53 Ca 0.79 0.03 -0.29 0.00 1.22 0.00 0.00 56.10 57.85 1ab7 s TRP 53 Cb -0.07 -4.61 -0.04 0.00 -1.50 0.00 0.00 33.47 27.25 1ab7 s TRP 53 CO 0.10 -1.99 1.71 1.03 -4.62 0.00 0.00 176.95 173.18 1ab7 s ARG 54 N 5.60 3.91 0.00 5.86 0.52 0.40 -4.14 118.95 131.10 1ab7 s ARG 54 Ca 0.36 1.97 0.00 0.00 -0.52 0.00 0.00 55.73 57.54 1ab7 s ARG 54 Cb -0.08 -4.06 0.00 0.00 0.52 0.00 0.00 34.95 31.33 1ab7 s ARG 54 CO 0.17 -1.17 0.00 0.94 0.02 0.00 0.00 175.30 175.26 1ab7 n GLN 55 N 7.55 0.00 0.00 3.54 -0.06 -1.26 -4.28 117.38 122.87 1ab7 n GLN 55 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.19 1ab7 n GLN 55 Cb 0.44 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.62 1ab7 n GLN 55 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1ab7 n PHE 56 N 0.00 0.00 0.05 3.69 7.35 -1.26 -4.57 117.46 122.72 1ab7 n PHE 56 Ca 0.00 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.88 1ab7 n PHE 56 Cb 0.00 0.00 0.50 0.00 0.35 0.00 0.00 39.48 40.33 1ab7 n PHE 56 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1ab7 h GLU 57 N 0.00 0.00 0.00 -4.13 4.57 -1.95 -2.76 114.58 110.30 1ab7 h GLU 57 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ab7 h GLU 57 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1ab7 h GLU 57 CO 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.83 1ab7 n GLN 58 N -3.18 0.00 -0.46 1.92 10.64 -1.26 -3.04 117.38 121.99 1ab7 n GLN 58 Ca 0.11 0.00 0.36 0.00 -1.83 0.00 0.00 57.00 55.64 1ab7 n GLN 58 Cb 1.01 0.00 0.57 0.00 -0.86 0.00 0.00 30.24 30.95 1ab7 n GLN 58 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1ab7 n SER 59 N 0.00 0.05 -0.07 2.61 2.88 -1.24 -1.20 113.62 116.65 1ab7 n SER 59 Ca 0.00 0.81 -0.03 0.00 -1.33 0.00 0.00 58.87 58.32 1ab7 n SER 59 Cb 0.00 -0.40 -0.02 0.00 -0.75 0.00 0.00 64.21 63.03 1ab7 n SER 59 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1ab7 h LYS 60 N 0.00 -0.05 0.00 -1.46 3.64 -1.53 0.35 116.57 117.52 1ab7 h LYS 60 Ca 0.67 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.06 1ab7 h LYS 60 Cb 2.54 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 34.37 1ab7 h LYS 60 CO -0.11 -0.03 0.00 0.37 -2.27 0.00 0.00 179.45 177.40 1ab7 h GLN 61 N -0.05 0.00 0.00 1.90 4.15 -1.07 -1.63 115.11 118.41 1ab7 h GLN 61 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1ab7 h GLN 61 Cb 0.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1ab7 h GLN 61 CO -0.18 0.00 0.00 1.28 -1.93 0.00 0.00 178.83 178.00 1ab7 n LEU 62 N -2.60 0.00 0.00 -2.39 4.32 0.12 -4.78 117.00 111.66 1ab7 n LEU 62 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1ab7 n LEU 62 Cb 0.18 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 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 -0.97 0.00 -2.99 -5.08 5.66 -0.61 -4.66 114.28 105.63 1ab7 n THR 63 Ca 0.19 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 61.03 1ab7 n THR 63 Cb 0.09 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.86 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 0.76 -2.12 1.09 0.00 -1.26 -4.90 120.64 114.22 1ab7 n GLU 64 Ca 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 57.16 54.60 1ab7 n GLU 64 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 31.44 30.11 1ab7 n GLU 64 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1ab7 n ASN 65 N 1.41 -1.30 -0.09 -1.84 2.85 -1.26 -4.98 115.26 110.05 1ab7 n ASN 65 Ca 0.16 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.47 1ab7 n ASN 65 Cb 0.58 -0.49 -0.10 0.00 1.24 0.00 0.00 39.78 41.01 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 0.00 1.15 8.20 0.00 -1.90 -2.98 103.07 107.54 1ab7 h GLY 66 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 1ab7 h GLY 66 CO 0.00 0.00 -1.11 0.00 0.00 0.00 0.00 176.54 175.43 1ab7 h ALA 67 N -0.41 0.03 -0.43 3.60 0.00 -1.88 -1.80 119.26 118.36 1ab7 h ALA 67 Ca -0.17 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 53.98 1ab7 h ALA 67 Cb 1.03 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1ab7 h ALA 67 CO -0.10 0.64 0.15 1.49 0.00 0.00 0.00 179.25 181.42 1ab7 h GLU 68 N 0.24 0.63 0.06 0.00 4.81 -1.92 -0.78 114.58 117.61 1ab7 h GLU 68 Ca -0.16 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1ab7 h GLU 68 Cb 1.79 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.06 1ab7 h GLU 68 CO 0.22 0.54 -0.03 1.03 -0.73 0.00 0.00 179.01 180.04 1ab7 h SER 69 N 0.62 -0.07 -0.42 1.04 0.87 -1.53 -0.19 113.55 113.87 1ab7 h SER 69 Ca 0.15 -0.52 0.12 0.00 -1.23 0.00 0.00 61.79 60.31 1ab7 h SER 69 Cb 0.17 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1ab7 h SER 69 CO -0.01 0.64 0.51 0.58 -0.53 0.00 0.00 176.83 178.02 1ab7 h VAL 70 N -0.93 0.29 0.18 2.23 2.07 -1.26 0.71 116.25 119.55 1ab7 h VAL 70 Ca -0.01 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.19 1ab7 h VAL 70 Cb 0.58 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1ab7 h VAL 70 CO 0.01 0.00 -1.56 -0.07 0.02 0.00 0.00 177.57 175.98 1ab7 h LEU 71 N 0.00 0.59 -1.32 2.57 -0.00 -1.00 0.50 115.31 116.65 1ab7 h LEU 71 Ca 0.20 -0.75 0.16 0.00 -0.00 0.00 0.00 57.88 57.48 1ab7 h LEU 71 Cb 1.22 -0.19 -0.07 0.00 -0.00 0.00 0.00 40.66 41.62 1ab7 h LEU 71 CO -0.00 1.62 0.58 1.56 -0.00 0.00 0.00 178.44 182.19 1ab7 h GLN 72 N 0.10 0.61 0.00 1.13 1.08 0.23 0.16 115.11 118.43 1ab7 h GLN 72 Ca -0.27 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 56.89 1ab7 h GLN 72 Cb 2.08 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 29.37 1ab7 h GLN 72 CO 0.20 0.41 -0.05 0.28 -0.95 0.00 0.00 178.83 178.72 1ab7 h VAL 73 N 0.63 0.36 -0.38 -0.54 2.07 -1.32 -0.00 116.25 117.06 1ab7 h VAL 73 Ca 0.45 -1.27 0.07 0.00 0.82 0.00 0.00 66.70 66.77 1ab7 h VAL 73 Cb 0.81 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 31.17 1ab7 h VAL 73 CO -0.21 0.12 -0.41 -0.26 0.02 0.00 0.00 177.57 176.84 1ab7 h PHE 74 N -1.00 -1.18 -0.82 1.57 0.04 -0.66 0.51 116.94 115.41 1ab7 h PHE 74 Ca -0.01 0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.85 1ab7 h PHE 74 Cb 0.24 0.57 -0.04 0.00 2.20 0.00 0.00 35.95 38.92 1ab7 h PHE 74 CO 0.04 -0.43 0.53 0.00 -0.60 0.00 0.00 178.31 177.85 1ab7 h ARG 75 N -0.33 1.03 -0.11 1.51 3.08 -0.84 0.04 114.38 118.78 1ab7 h ARG 75 Ca 0.14 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.16 1ab7 h ARG 75 Cb 0.58 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1ab7 h ARG 75 CO -0.55 0.68 0.12 0.93 -1.07 0.00 0.00 179.97 180.08 1ab7 h GLU 76 N 1.06 0.00 0.00 0.04 4.39 0.19 0.14 114.58 120.40 1ab7 h GLU 76 Ca 0.31 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.98 1ab7 h GLU 76 Cb -0.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1ab7 h GLU 76 CO -0.09 0.00 -0.19 0.00 -1.16 0.00 0.00 179.01 177.57 1ab7 h ALA 77 N 1.85 0.03 0.00 3.43 0.00 0.14 -1.09 119.26 123.63 1ab7 h ALA 77 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ab7 h ALA 77 Cb 0.30 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ab7 h ALA 77 CO -0.00 0.12 0.00 1.57 0.00 0.00 0.00 179.25 180.94 1ab7 h LYS 78 N -1.00 0.00 0.00 0.00 5.09 -0.82 0.11 116.57 119.95 1ab7 h LYS 78 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.70 1ab7 h LYS 78 Cb 0.75 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.08 1ab7 h LYS 78 CO -0.03 0.00 0.00 0.00 -2.09 0.00 0.00 179.45 177.33 1ab7 n ALA 79 N -1.80 0.00 -0.13 0.07 0.00 0.45 -4.61 120.51 114.50 1ab7 n ALA 79 Ca -0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 1ab7 n ALA 79 Cb 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.12 0.00 0.00 4.39 -1.17 -3.44 114.58 114.23 1ab7 h GLU 80 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ab7 h GLU 80 Cb 0.00 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1ab7 h GLU 80 CO 0.00 -0.08 0.00 0.41 -1.16 0.00 0.00 179.01 178.18 1ab7 n GLY 81 N -1.17 0.12 2.99 -3.84 0.00 -0.95 -5.09 105.19 97.25 1ab7 n GLY 81 Ca -0.01 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1ab7 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab7 n ALA 82 N -0.81 -5.51 -2.42 4.61 0.00 0.34 -4.84 120.51 111.87 1ab7 n ALA 82 Ca 0.00 -0.69 -0.35 0.00 0.00 0.00 0.00 53.44 52.40 1ab7 n ALA 82 Cb 0.00 -1.14 0.01 0.00 0.00 0.00 0.00 19.45 18.32 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 3.49 6.40 -4.92 0.00 9.92 -1.26 -4.15 116.55 126.02 1ab7 n ASP 83 Ca -0.02 -3.75 -0.30 0.00 -0.53 0.00 0.00 54.79 50.19 1ab7 n ASP 83 Cb 0.56 -0.89 -0.04 0.00 -0.64 0.00 0.00 41.12 40.11 1ab7 n ASP 83 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1ab7 s ILE 84 N -4.84 5.37 -0.40 0.53 1.01 -1.26 -0.95 121.20 120.66 1ab7 s ILE 84 Ca 0.47 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 1ab7 s ILE 84 Cb 0.33 -3.65 0.11 0.00 0.01 0.00 0.00 42.46 39.26 1ab7 s ILE 84 CO -0.24 0.10 0.17 -0.89 0.00 0.00 0.00 174.94 174.08 1ab7 s THR 85 N -1.55 3.01 -0.29 2.92 2.01 0.38 -4.47 115.64 117.64 1ab7 s THR 85 Ca 0.35 -2.20 -0.27 0.00 0.31 0.00 0.00 61.69 59.88 1ab7 s THR 85 Cb -0.13 -3.10 0.01 0.00 0.01 0.00 0.00 72.50 69.30 1ab7 s THR 85 CO 0.28 -0.68 0.97 -0.63 -0.69 0.00 0.00 174.62 173.87 1ab7 s ILE 86 N 1.00 4.64 -0.11 1.82 1.09 -1.26 -0.31 121.20 128.07 1ab7 s ILE 86 Ca 0.10 1.62 -0.12 0.00 -1.10 0.00 0.00 60.65 61.15 1ab7 s ILE 86 Cb -0.22 -4.30 -0.05 0.00 -1.06 0.00 0.00 42.46 36.84 1ab7 s ILE 86 CO -0.05 -0.33 0.27 -0.63 -0.10 0.00 0.00 174.94 174.09 1ab7 s ILE 87 N 3.31 5.30 -0.42 2.92 -1.09 -0.60 -4.97 121.20 125.65 1ab7 s ILE 87 Ca 0.41 0.50 0.08 0.00 -2.23 0.00 0.00 60.65 59.41 1ab7 s ILE 87 Cb -0.13 -3.57 0.29 0.00 -1.58 0.00 0.00 42.46 37.47 1ab7 s ILE 87 CO 0.12 0.51 0.80 0.18 -1.23 0.00 0.00 174.94 175.32 1ab7 n LEU 88 N 2.62 -0.84 0.00 2.97 4.77 -1.26 -3.16 117.00 122.09 1ab7 n LEU 88 Ca -0.15 -4.28 0.00 0.00 -0.03 0.00 0.00 56.01 51.55 1ab7 n LEU 88 Cb 0.53 0.77 0.00 0.00 -2.33 0.00 0.00 43.42 42.39 1ab7 n LEU 88 CO 0.36 2.12 0.00 -0.24 -1.33 0.00 0.00 177.39 178.31