#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 0.67 -0.02 1.97 2.20 -1.26 -0.26 119.74 123.04 1ab7 s LYS 2 Ca 0.00 -0.71 -0.10 0.00 -0.36 0.00 0.00 55.97 54.79 1ab7 s LYS 2 Cb 0.00 -1.99 -0.05 0.00 -1.51 0.00 0.00 37.83 34.28 1ab7 s LYS 2 CO 0.00 -0.81 0.30 0.00 -0.36 0.00 0.00 175.35 174.48 1ab7 s ALA 3 N 1.77 3.78 -0.09 3.13 0.00 0.12 -4.87 121.76 125.60 1ab7 s ALA 3 Ca 0.04 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1ab7 s ALA 3 Cb -0.17 -2.19 0.02 0.00 0.00 0.00 0.00 23.12 20.78 1ab7 s ALA 3 CO -0.18 0.57 -0.11 0.08 0.00 0.00 0.00 175.76 176.12 1ab7 s VAL 4 N -1.15 1.17 -0.32 0.00 1.01 -1.26 -0.14 120.40 119.70 1ab7 s VAL 4 Ca 0.23 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 1ab7 s VAL 4 Cb -0.14 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1ab7 s VAL 4 CO 0.12 0.38 0.40 -0.63 0.00 0.00 0.00 175.10 175.36 1ab7 s ILE 5 N 1.07 5.14 -0.42 2.22 -1.09 -0.36 -4.88 121.20 122.87 1ab7 s ILE 5 Ca -0.07 0.27 -0.03 0.00 -2.23 0.00 0.00 60.65 58.59 1ab7 s ILE 5 Cb -0.15 -3.81 0.11 0.00 -1.58 0.00 0.00 42.46 37.03 1ab7 s ILE 5 CO -0.01 -0.04 0.22 0.20 -1.23 0.00 0.00 174.94 174.08 1ab7 s ASN 6 N 1.71 5.26 0.00 3.58 -0.87 -1.26 0.56 114.94 123.92 1ab7 s ASN 6 Ca 0.14 -2.09 0.11 0.00 -1.57 0.00 0.00 52.86 49.45 1ab7 s ASN 6 Cb -0.16 -1.83 0.47 0.00 -0.02 0.00 0.00 41.25 39.71 1ab7 s ASN 6 CO 0.11 -0.53 1.32 0.61 -2.57 0.00 0.00 177.10 176.04 1ab7 n GLY 7 N 4.52 -0.82 0.19 0.66 0.00 -1.26 -1.66 105.19 106.81 1ab7 n GLY 7 Ca -0.02 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 4.81 -1.93 -3.04 114.58 116.04 1ab7 h GLU 8 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1ab7 h GLU 8 Cb 0.17 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1ab7 h GLU 8 CO 0.00 0.00 -1.13 0.94 -0.73 0.00 0.00 179.01 178.09 1ab7 n GLN 9 N -2.57 0.45 -2.20 1.92 -0.06 -0.67 -4.94 117.38 109.32 1ab7 n GLN 9 Ca 0.01 -0.02 -0.43 0.00 -2.00 0.00 0.00 57.00 54.56 1ab7 n GLN 9 Cb 0.25 -1.07 -0.02 0.00 -4.06 0.00 0.00 30.24 25.34 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 -2.18 3.72 0.00 1.69 -1.09 -0.96 -4.81 121.20 117.57 1ab7 s ILE 10 Ca -0.01 0.74 -0.21 0.00 -2.23 0.00 0.00 60.65 58.94 1ab7 s ILE 10 Cb 0.02 -3.96 -0.20 0.00 -1.58 0.00 0.00 42.46 36.74 1ab7 s ILE 10 CO 0.11 -0.60 1.18 0.03 -1.23 0.00 0.00 174.94 174.43 1ab7 h ARG 11 N 11.58 0.34 0.00 2.79 3.08 -1.92 -3.45 114.38 126.79 1ab7 h ARG 11 Ca -0.30 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.40 1ab7 h ARG 11 Cb 1.13 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 31.13 1ab7 h ARG 11 CO 1.06 0.92 0.09 0.43 -1.07 0.00 0.00 179.97 181.39 1ab7 n SER 12 N -4.42 -1.11 0.00 7.04 7.64 -1.26 -4.79 113.62 116.72 1ab7 n SER 12 Ca -0.08 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.15 1ab7 n SER 12 Cb 0.51 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 64.61 1ab7 n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ab7 n ILE 13 N 0.84 0.00 -0.12 0.44 0.13 -1.26 -4.74 119.36 114.65 1ab7 n ILE 13 Ca -0.04 0.00 -0.06 0.00 -1.10 0.00 0.00 62.75 61.55 1ab7 n ILE 13 Cb 0.75 0.00 0.03 0.00 -0.84 0.00 0.00 39.64 39.57 1ab7 n ILE 13 CO 0.00 0.00 0.00 -1.28 2.80 0.00 0.00 176.55 178.07 1ab7 h SER 14 N 0.00 0.16 1.52 9.51 0.87 -1.96 -1.73 113.55 121.91 1ab7 h SER 14 Ca 0.00 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 1ab7 h SER 14 Cb 0.00 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1ab7 h SER 14 CO 0.00 0.13 -0.49 0.44 -0.53 0.00 0.00 176.83 176.37 1ab7 h ASP 15 N 0.30 0.00 0.75 6.23 5.19 -1.87 -3.32 116.42 123.71 1ab7 h ASP 15 Ca 0.18 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.55 1ab7 h ASP 15 Cb 0.16 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.67 1ab7 h ASP 15 CO -0.18 0.31 -0.36 0.25 -3.12 0.00 0.00 179.24 176.14 1ab7 h LEU 16 N 0.00 -0.85 -2.39 1.55 5.85 -1.70 -0.40 115.31 117.37 1ab7 h LEU 16 Ca -0.02 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1ab7 h LEU 16 Cb 1.25 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.50 1ab7 h LEU 16 CO 0.04 -0.53 0.20 0.45 -0.34 0.00 0.00 178.44 178.25 1ab7 h HIS 17 N -1.15 0.00 0.10 1.25 3.86 -1.48 0.30 115.15 118.03 1ab7 h HIS 17 Ca -0.10 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.83 1ab7 h HIS 17 Cb 0.79 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 1ab7 h HIS 17 CO -0.00 0.00 -1.31 1.96 0.86 0.00 0.00 177.93 179.44 1ab7 h GLN 18 N 0.00 0.20 -0.26 2.45 4.20 -1.51 -0.34 115.11 119.85 1ab7 h GLN 18 Ca 0.02 -0.35 -0.14 0.00 0.06 0.00 0.00 58.65 58.25 1ab7 h GLN 18 Cb 0.41 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1ab7 h GLN 18 CO -0.00 1.11 -0.40 1.15 -0.67 0.00 0.00 178.83 180.02 1ab7 h THR 19 N 0.06 1.30 0.21 -0.54 2.02 0.13 0.41 112.91 116.48 1ab7 h THR 19 Ca -0.15 -1.57 -0.32 0.00 0.77 0.00 0.00 66.41 65.14 1ab7 h THR 19 Cb 1.95 1.53 0.03 0.00 -1.74 0.00 0.00 68.15 69.92 1ab7 h THR 19 CO 0.17 0.50 -1.40 -0.07 0.37 0.00 0.00 175.52 175.09 1ab7 h LEU 20 N 0.50 0.81 -2.08 2.58 3.38 -1.32 -1.30 115.31 117.88 1ab7 h LEU 20 Ca 0.04 -0.84 -0.01 0.00 0.09 0.00 0.00 57.88 57.17 1ab7 h LEU 20 Cb 0.91 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1ab7 h LEU 20 CO 0.08 1.65 -0.05 0.50 0.09 0.00 0.00 178.44 180.71 1ab7 h LYS 21 N 0.17 0.00 0.14 1.13 3.64 -0.88 0.13 116.57 120.91 1ab7 h LYS 21 Ca -0.23 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.85 1ab7 h LYS 21 Cb 2.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.92 1ab7 h LYS 21 CO 0.26 0.05 -1.49 -0.22 -2.27 0.00 0.00 179.45 175.77 1ab7 h LYS 22 N 0.00 0.30 0.20 1.90 3.64 0.00 -2.06 116.57 120.55 1ab7 h LYS 22 Ca -0.00 -0.51 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1ab7 h LYS 22 Cb 0.30 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1ab7 h LYS 22 CO 0.01 1.24 -0.09 0.93 -2.27 0.00 0.00 179.45 179.27 1ab7 h GLU 23 N -0.17 -0.26 0.00 1.90 5.08 -0.87 -3.26 114.58 117.01 1ab7 h GLU 23 Ca -0.31 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1ab7 h GLU 23 Cb 1.87 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 31.17 1ab7 h GLU 23 CO 0.10 -0.15 -0.07 -0.07 -1.00 0.00 0.00 179.01 177.83 1ab7 h LEU 24 N -1.07 0.00 -1.95 1.33 3.38 -0.97 -3.47 115.31 112.57 1ab7 h LEU 24 Ca -0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1ab7 h LEU 24 Cb 0.22 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.06 1ab7 h LEU 24 CO 0.04 0.07 -0.42 0.00 0.09 0.00 0.00 178.44 178.22 1ab7 n ALA 25 N -2.22 -1.16 -1.27 1.53 0.00 -0.84 -4.75 120.51 111.78 1ab7 n ALA 25 Ca -0.02 -0.02 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 1ab7 n ALA 25 Cb 0.19 -1.82 0.16 0.00 0.00 0.00 0.00 19.45 17.99 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 -4.34 1.80 0.00 0.00 1.43 -0.83 -5.00 118.68 111.73 1ab7 s LEU 26 Ca 0.04 1.17 -0.02 0.00 -1.03 0.00 0.00 54.13 54.29 1ab7 s LEU 26 Cb -0.01 -3.43 0.02 0.00 0.03 0.00 0.00 46.19 42.81 1ab7 s LEU 26 CO 0.39 -2.91 0.12 -0.81 0.23 0.00 0.00 176.35 173.37 1ab7 n PRO 27 N -4.03 -0.31 0.10 1.29 -0.04 -1.26 -4.95 135.00 125.80 1ab7 n PRO 27 Ca 0.06 -0.18 -0.22 0.00 -0.04 0.00 0.00 63.50 63.11 1ab7 n PRO 27 Cb 0.57 -0.13 -0.15 0.00 -0.04 0.00 0.00 33.50 33.75 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 0.42 0.00 0.54 4.57 -2.01 -3.22 114.58 114.87 1ab7 h GLU 28 Ca -0.04 -0.71 0.00 0.00 -1.18 0.00 0.00 59.36 57.43 1ab7 h GLU 28 Cb 0.11 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1ab7 h GLU 28 CO 0.03 1.34 0.00 2.48 -1.18 0.00 0.00 179.01 181.68 1ab7 n TYR 29 N -3.93 0.00 -1.05 0.92 0.18 -1.26 -4.85 117.16 107.18 1ab7 n TYR 29 Ca -0.16 0.00 -0.47 0.00 1.88 0.00 0.00 57.90 59.16 1ab7 n TYR 29 Cb 0.96 -0.02 -0.09 0.00 -0.38 0.00 0.00 39.34 39.81 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 -1.02 1.00 0.26 -3.48 9.36 -1.22 -4.65 117.16 117.41 1ab7 n TYR 30 Ca 0.15 0.66 0.13 0.00 3.32 0.00 0.00 57.90 62.15 1ab7 n TYR 30 Cb 0.08 -1.71 0.56 0.00 -0.63 0.00 0.00 39.34 37.64 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 5.89 0.00 -5.64 2.98 0.00 -1.88 -3.44 103.07 100.98 1ab7 h GLY 31 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.83 1ab7 h GLY 31 CO 0.79 0.00 -0.71 1.18 0.00 0.00 0.00 176.54 177.80 1ab7 n GLU 32 N -2.92 -7.06 -1.09 4.80 1.02 -1.26 -4.90 120.64 109.23 1ab7 n GLU 32 Ca 0.02 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 1ab7 n GLU 32 Cb 0.67 -5.80 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 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 0.00 0.12 1.62 0.23 -1.26 -4.94 115.26 108.03 1ab7 n ASN 33 Ca -0.15 -0.88 0.13 0.00 -0.53 0.00 0.00 54.58 53.14 1ab7 n ASN 33 Cb 0.62 0.00 0.41 0.00 -2.08 0.00 0.00 39.78 38.73 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 -1.78 115.31 107.07 1ab7 h LEU 34 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 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 -0.04 -2.24 -0.00 0.00 0.00 178.44 176.16 1ab7 h ASP 35 N 0.00 0.00 0.75 0.17 2.03 -1.96 -1.39 116.42 116.02 1ab7 h ASP 35 Ca 0.00 -0.79 -0.13 0.00 -0.73 0.00 0.00 57.03 55.39 1ab7 h ASP 35 Cb 0.69 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.18 1ab7 h ASP 35 CO 0.00 0.92 -0.60 0.00 -1.03 0.00 0.00 179.24 178.53 1ab7 h ALA 36 N -0.21 0.90 0.23 4.15 0.00 -1.91 0.01 119.26 122.44 1ab7 h ALA 36 Ca -0.01 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1ab7 h ALA 36 Cb 0.82 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1ab7 h ALA 36 CO -0.01 0.75 -0.11 1.25 0.00 0.00 0.00 179.25 181.13 1ab7 h LEU 37 N 0.00 -0.26 -1.24 0.00 5.85 -1.43 0.22 115.31 118.45 1ab7 h LEU 37 Ca -0.01 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.51 1ab7 h LEU 37 Cb 1.13 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 1ab7 h LEU 37 CO 0.08 0.22 0.54 -0.25 -0.34 0.00 0.00 178.44 178.69 1ab7 h TRP 38 N -0.85 0.93 -0.13 1.25 -0.00 -1.26 0.62 115.95 116.51 1ab7 h TRP 38 Ca -0.03 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 58.84 1ab7 h TRP 38 Cb 0.51 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.35 1ab7 h TRP 38 CO 0.06 0.50 -0.12 -0.44 -0.00 0.00 0.00 178.44 178.43 1ab7 h ASP 39 N 0.93 0.18 0.00 2.65 5.19 -0.84 -1.03 116.42 123.50 1ab7 h ASP 39 Ca 0.35 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 1ab7 h ASP 39 Cb 0.20 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1ab7 h ASP 39 CO -0.12 0.33 0.00 0.00 -3.12 0.00 0.00 179.24 176.33 1ab7 n ALA 40 N -2.49 0.00 -0.28 3.45 0.00 0.17 -4.00 120.51 117.36 1ab7 n ALA 40 Ca -0.01 -0.01 0.19 0.00 0.00 0.00 0.00 53.44 53.61 1ab7 n ALA 40 Cb 0.25 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.87 0.08 -1.56 0.00 4.77 0.14 0.19 117.00 118.75 1ab7 n LEU 41 Ca 0.00 1.39 -0.01 0.00 -0.03 0.00 0.00 56.01 57.36 1ab7 n LEU 41 Cb 0.00 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.49 1ab7 n LEU 41 CO 0.00 -1.48 1.05 0.35 -1.33 0.00 0.00 177.39 175.98 1ab7 n THR 42 N -5.04 2.08 0.00 -5.08 -2.24 -0.39 -4.13 114.28 99.47 1ab7 n THR 42 Ca 0.25 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1ab7 n THR 42 Cb 0.84 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 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 1.62 0.17 0.00 3.38 0.00 0.51 -4.94 105.19 105.93 1ab7 n GLY 43 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.10 1.61 -0.00 0.21 -4.81 117.44 114.55 1ab7 n TRP 44 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.46 1ab7 n TRP 44 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 31.31 31.40 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 1.46 -1.53 5.87 2.07 -1.72 -3.47 116.25 118.93 1ab7 h VAL 45 Ca 0.00 -2.28 0.01 0.00 0.82 0.00 0.00 66.70 65.25 1ab7 h VAL 45 Cb 0.00 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1ab7 h VAL 45 CO 0.00 0.66 -0.41 1.21 0.02 0.00 0.00 177.57 179.05 1ab7 n GLU 46 N -3.76 -1.67 -4.13 1.57 2.13 -1.26 -4.66 120.64 108.85 1ab7 n GLU 46 Ca -0.02 1.30 -0.09 0.00 0.66 0.00 0.00 57.16 59.01 1ab7 n GLU 46 Cb 0.68 -1.64 -0.10 0.00 0.27 0.00 0.00 31.44 30.65 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 -4.51 0.79 0.35 4.31 2.02 -1.26 -4.16 117.35 114.90 1ab7 s TYR 47 Ca 0.00 -1.20 -0.27 0.00 -0.37 0.00 0.00 57.07 55.23 1ab7 s TYR 47 Cb 0.00 -0.46 -0.09 0.00 -0.40 0.00 0.00 41.96 41.01 1ab7 s TYR 47 CO 0.00 -0.50 1.19 -1.25 -1.57 0.00 0.00 175.55 173.42 1ab7 s PRO 48 N -4.02 4.27 0.26 -1.71 0.04 -1.26 -4.79 135.00 127.79 1ab7 s PRO 48 Ca 0.21 1.93 0.11 0.00 0.04 0.00 0.00 61.00 63.28 1ab7 s PRO 48 Cb 0.07 -2.90 -0.05 0.00 0.04 0.00 0.00 34.50 31.67 1ab7 s PRO 48 CO -0.00 -0.16 -0.10 -1.17 0.04 0.00 0.00 177.00 175.61 1ab7 s LEU 49 N -2.06 2.90 -0.32 -3.56 2.96 -0.32 -0.05 118.68 118.23 1ab7 s LEU 49 Ca 0.52 -0.80 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 1ab7 s LEU 49 Cb -0.33 -1.44 0.10 0.00 0.50 0.00 0.00 46.19 45.01 1ab7 s LEU 49 CO 0.43 0.03 0.06 -0.69 -1.32 0.00 0.00 176.35 174.85 1ab7 s VAL 50 N -2.33 1.74 -1.41 1.68 1.01 0.64 -0.04 120.40 121.69 1ab7 s VAL 50 Ca 0.30 -1.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.24 1ab7 s VAL 50 Cb -0.06 -2.27 0.07 0.00 0.00 0.00 0.00 36.38 34.12 1ab7 s VAL 50 CO 0.17 -0.58 2.26 -0.11 0.00 0.00 0.00 175.10 176.84 1ab7 n LEU 51 N 4.49 7.27 -4.57 3.92 7.94 0.50 0.13 117.00 136.68 1ab7 n LEU 51 Ca 0.00 -4.43 -0.23 0.00 -1.11 0.00 0.00 56.01 50.24 1ab7 n LEU 51 Cb 0.42 -1.55 -0.07 0.00 0.53 0.00 0.00 43.42 42.76 1ab7 n LEU 51 CO 0.18 1.48 1.34 -0.70 -1.11 0.00 0.00 177.39 178.58 1ab7 s GLU 52 N 1.58 2.14 -0.90 1.96 2.12 0.80 -1.61 118.70 124.79 1ab7 s GLU 52 Ca 0.49 -0.55 -0.24 0.00 0.36 0.00 0.00 54.97 55.03 1ab7 s GLU 52 Cb 0.14 -5.08 0.00 0.00 0.26 0.00 0.00 34.13 29.45 1ab7 s GLU 52 CO -0.06 -4.15 1.65 -0.46 -0.54 0.00 0.00 175.26 171.70 1ab7 s TRP 53 N 12.38 2.14 -0.15 5.30 -0.11 0.26 -1.23 118.94 137.53 1ab7 s TRP 53 Ca 0.75 -0.03 -0.38 0.00 1.22 0.00 0.00 56.10 57.65 1ab7 s TRP 53 Cb -0.05 -4.39 -0.15 0.00 -1.50 0.00 0.00 33.47 27.38 1ab7 s TRP 53 CO 0.09 -1.93 1.70 0.54 -4.62 0.00 0.00 176.95 172.73 1ab7 n ARG 54 N 8.98 1.44 0.00 5.86 1.74 0.19 -4.48 116.66 130.38 1ab7 n ARG 54 Ca 0.30 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 1ab7 n ARG 54 Cb 0.49 -2.24 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 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 5.09 0.00 0.00 5.56 6.02 -1.26 -4.35 117.38 128.44 1ab7 n GLN 55 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1ab7 n GLN 55 Cb 0.18 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.44 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 7.47 0.00 -0.32 1.08 7.35 -1.26 -4.71 117.46 127.07 1ab7 n PHE 56 Ca 0.00 0.00 0.35 0.00 -0.76 0.00 0.00 57.45 57.04 1ab7 n PHE 56 Cb 0.00 0.00 0.74 0.00 0.35 0.00 0.00 39.48 40.57 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 4.81 -1.94 -0.60 114.58 112.72 1ab7 h GLU 57 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ab7 h GLU 57 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ab7 h GLU 57 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 1ab7 n GLN 58 N -4.09 0.00 0.00 1.92 10.64 -1.26 -1.07 117.38 123.52 1ab7 n GLN 58 Ca 0.26 0.31 0.15 0.00 -1.83 0.00 0.00 57.00 55.89 1ab7 n GLN 58 Cb 1.27 -0.96 0.83 0.00 -0.86 0.00 0.00 30.24 30.52 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 -0.77 0.00 0.13 2.61 2.88 -1.12 -3.29 113.62 114.05 1ab7 n SER 59 Ca 0.00 -0.57 0.06 0.00 -1.33 0.00 0.00 58.87 57.03 1ab7 n SER 59 Cb 0.00 -0.13 0.03 0.00 -0.75 0.00 0.00 64.21 63.36 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 0.00 0.00 -1.46 3.11 -0.67 -3.37 116.57 114.18 1ab7 h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1ab7 h LYS 60 Cb 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 1ab7 h LYS 60 CO 0.00 0.24 -0.01 0.37 -2.81 0.00 0.00 179.45 177.24 1ab7 h GLN 61 N 0.00 0.00 -1.05 1.90 -0.00 -1.09 -3.32 115.11 111.56 1ab7 h GLN 61 Ca -0.04 0.00 0.30 0.00 -0.00 0.00 0.00 58.65 58.92 1ab7 h GLN 61 Cb 1.26 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 28.70 1ab7 h GLN 61 CO 0.03 0.00 1.17 1.47 0.00 0.00 0.00 178.83 181.50 1ab7 n LEU 62 N -3.40 0.00 0.00 -2.39 -0.00 -1.26 -4.17 117.00 105.79 1ab7 n LEU 62 Ca -0.00 0.73 0.00 0.00 -0.00 0.00 0.00 56.01 56.74 1ab7 n LEU 62 Cb 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 43.42 43.16 1ab7 n LEU 62 CO 0.00 -0.73 0.00 1.07 -0.00 0.00 0.00 177.39 177.73 1ab7 n THR 63 N -3.18 0.00 -2.83 1.47 5.66 -1.25 -4.96 114.28 109.19 1ab7 n THR 63 Ca 0.24 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.16 1ab7 n THR 63 Cb 1.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.27 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 0.55 -0.75 1.09 0.28 -1.26 -4.88 120.64 115.67 1ab7 n GLU 64 Ca 0.00 -2.13 0.00 0.00 -0.16 0.00 0.00 57.16 54.87 1ab7 n GLU 64 Cb 0.00 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.39 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 2.66 0.00 0.13 -1.84 2.85 -1.26 -4.90 115.26 112.90 1ab7 n ASN 65 Ca 0.18 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.55 1ab7 n ASN 65 Cb 0.56 -0.20 -0.06 0.00 1.24 0.00 0.00 39.78 41.33 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 -1.10 0.93 8.20 0.00 -1.90 0.20 103.07 109.41 1ab7 h GLY 66 Ca 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 1ab7 h GLY 66 CO 0.00 -0.34 0.13 0.00 0.00 0.00 0.00 176.54 176.33 1ab7 h ALA 67 N -1.14 0.34 0.00 3.60 0.00 -1.86 -1.38 119.26 118.82 1ab7 h ALA 67 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ab7 h ALA 67 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ab7 h ALA 67 CO -0.09 -0.11 0.21 0.93 0.00 0.00 0.00 179.25 180.20 1ab7 h GLU 68 N 0.29 0.00 0.00 0.00 5.08 -1.86 -1.31 114.58 116.79 1ab7 h GLU 68 Ca 0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1ab7 h GLU 68 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1ab7 h GLU 68 CO -0.01 0.00 -0.44 0.77 -1.00 0.00 0.00 179.01 178.32 1ab7 h SER 69 N 0.00 0.00 -0.67 1.42 0.02 0.54 -0.64 113.55 114.21 1ab7 h SER 69 Ca 0.00 -0.21 0.20 0.00 -0.84 0.00 0.00 61.79 60.94 1ab7 h SER 69 Cb 0.43 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1ab7 h SER 69 CO 0.00 0.85 0.56 0.58 -1.14 0.00 0.00 176.83 177.68 1ab7 h VAL 70 N -1.00 0.48 0.15 2.27 2.07 -1.19 0.33 116.25 119.36 1ab7 h VAL 70 Ca -0.06 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.23 1ab7 h VAL 70 Cb 0.57 0.59 0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1ab7 h VAL 70 CO -0.04 0.00 -0.97 0.25 0.02 0.00 0.00 177.57 176.84 1ab7 h LEU 71 N 0.00 0.59 -1.92 2.57 5.85 -1.32 -0.09 115.31 120.98 1ab7 h LEU 71 Ca 0.32 -0.92 0.15 0.00 0.84 0.00 0.00 57.88 58.27 1ab7 h LEU 71 Cb 1.44 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 1ab7 h LEU 71 CO -0.00 1.46 0.40 1.56 -0.34 0.00 0.00 178.44 181.52 1ab7 h GLN 72 N -0.19 0.08 0.12 1.25 4.20 0.12 -0.35 115.11 120.35 1ab7 h GLN 72 Ca -0.16 -0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.33 1ab7 h GLN 72 Cb 1.74 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 29.52 1ab7 h GLN 72 CO 0.18 0.05 -1.02 0.28 -0.67 0.00 0.00 178.83 177.66 1ab7 h VAL 73 N 0.08 1.33 0.10 -0.54 2.07 -1.19 -0.92 116.25 117.18 1ab7 h VAL 73 Ca 0.27 -2.47 0.02 0.00 0.82 0.00 0.00 66.70 65.34 1ab7 h VAL 73 Cb 0.97 3.01 -0.04 0.00 -1.52 0.00 0.00 31.29 33.70 1ab7 h VAL 73 CO -0.02 0.70 -0.31 -0.26 0.02 0.00 0.00 177.57 177.69 1ab7 h PHE 74 N -0.39 -0.86 -1.00 1.57 0.04 -0.07 0.58 116.94 116.81 1ab7 h PHE 74 Ca -0.20 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.62 1ab7 h PHE 74 Cb 1.65 0.36 -0.06 0.00 2.20 0.00 0.00 35.95 40.11 1ab7 h PHE 74 CO 0.17 -0.42 0.66 0.00 -0.60 0.00 0.00 178.31 178.12 1ab7 h ARG 75 N -0.53 1.26 -0.60 1.51 3.08 -1.22 -0.51 114.38 117.37 1ab7 h ARG 75 Ca 0.04 -0.08 0.12 0.00 0.07 0.00 0.00 59.98 60.13 1ab7 h ARG 75 Cb 0.57 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1ab7 h ARG 75 CO -0.20 0.83 0.41 0.93 -1.07 0.00 0.00 179.97 180.87 1ab7 h GLU 76 N 1.30 0.30 0.00 0.04 5.08 0.49 0.29 114.58 122.08 1ab7 h GLU 76 Ca 0.39 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1ab7 h GLU 76 Cb -0.05 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1ab7 h GLU 76 CO -0.11 0.20 -0.00 0.00 -1.00 0.00 0.00 179.01 178.10 1ab7 h ALA 77 N 1.70 -0.01 0.00 3.43 0.00 0.55 -1.67 119.26 123.27 1ab7 h ALA 77 Ca 0.28 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ab7 h ALA 77 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ab7 h ALA 77 CO -0.07 -0.04 0.00 0.36 0.00 0.00 0.00 179.25 179.50 1ab7 n LYS 78 N -4.66 0.13 0.00 0.00 -0.00 -0.62 0.14 118.16 113.15 1ab7 n LYS 78 Ca -0.09 0.60 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 1ab7 n LYS 78 Cb 0.42 -1.91 0.00 0.00 -0.00 0.00 0.00 35.03 33.55 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 -1.75 0.00 -0.00 0.58 0.00 0.95 -4.53 120.51 115.76 1ab7 n ALA 79 Ca -0.01 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1ab7 n ALA 79 Cb 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.54 0.00 0.00 5.08 -1.24 -3.44 114.58 114.44 1ab7 h GLU 80 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1ab7 h GLU 80 Cb 0.00 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ab7 h GLU 80 CO 0.00 -0.36 0.00 0.41 -1.00 0.00 0.00 179.01 178.06 1ab7 n GLY 81 N -1.44 0.11 3.03 -3.84 0.00 -0.73 -5.10 105.19 97.23 1ab7 n GLY 81 Ca -0.05 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.83 -2.91 -2.61 4.61 0.00 0.36 -4.84 120.51 114.29 1ab7 n ALA 82 Ca 0.00 0.03 -0.36 0.00 0.00 0.00 0.00 53.44 53.11 1ab7 n ALA 82 Cb 0.00 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 18.12 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 2.24 6.48 -4.96 0.00 9.92 -1.26 -3.83 116.55 125.14 1ab7 n ASP 83 Ca 0.09 -3.71 -0.22 0.00 -0.53 0.00 0.00 54.79 50.42 1ab7 n ASP 83 Cb 0.40 -0.95 -0.02 0.00 -0.64 0.00 0.00 41.12 39.91 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 -4.55 5.24 -0.49 0.53 1.01 -1.26 -1.18 121.20 120.50 1ab7 s ILE 84 Ca 0.44 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1ab7 s ILE 84 Cb 0.26 -3.85 0.13 0.00 0.01 0.00 0.00 42.46 39.01 1ab7 s ILE 84 CO -0.17 -0.34 0.25 -0.89 0.00 0.00 0.00 174.94 173.79 1ab7 s THR 85 N -2.01 2.90 -0.37 2.92 2.01 0.94 -4.77 115.64 117.26 1ab7 s THR 85 Ca 0.35 -2.86 -0.29 0.00 0.31 0.00 0.00 61.69 59.21 1ab7 s THR 85 Cb -0.09 -3.00 0.01 0.00 0.01 0.00 0.00 72.50 69.43 1ab7 s THR 85 CO 0.30 -0.76 1.26 -0.63 -0.69 0.00 0.00 174.62 174.10 1ab7 s ILE 86 N 0.21 4.15 -0.30 1.82 1.09 -1.26 -0.37 121.20 126.54 1ab7 s ILE 86 Ca 0.15 1.25 -0.03 0.00 -1.10 0.00 0.00 60.65 60.91 1ab7 s ILE 86 Cb -0.23 -4.31 0.04 0.00 -1.06 0.00 0.00 42.46 36.91 1ab7 s ILE 86 CO -0.03 -0.66 0.02 -0.63 -0.10 0.00 0.00 174.94 173.54 1ab7 s ILE 87 N 4.54 3.25 0.00 2.92 1.01 -0.64 -4.97 121.20 127.32 1ab7 s ILE 87 Ca 0.54 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1ab7 s ILE 87 Cb -0.13 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.52 1ab7 s ILE 87 CO 0.26 -0.07 0.00 0.18 0.00 0.00 0.00 174.94 175.32 1ab7 n LEU 88 N 4.70 0.00 0.00 2.97 4.77 -1.26 -0.58 117.00 127.60 1ab7 n LEU 88 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1ab7 n LEU 88 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1ab7 n LEU 88 CO 0.28 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.14