#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 0.31 0.16 1.97 0.00 -1.26 -0.81 119.74 120.11 1ab7 s LYS 2 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 55.97 55.86 1ab7 s LYS 2 Cb 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 37.83 36.36 1ab7 s LYS 2 CO 0.00 -0.50 0.47 0.00 0.00 0.00 0.00 175.35 175.32 1ab7 s ALA 3 N 2.04 3.66 -0.12 0.59 0.00 0.16 -4.86 121.76 123.22 1ab7 s ALA 3 Ca 0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 1ab7 s ALA 3 Cb -0.14 -2.33 0.04 0.00 0.00 0.00 0.00 23.12 20.69 1ab7 s ALA 3 CO -0.07 0.55 0.04 0.08 0.00 0.00 0.00 175.76 176.37 1ab7 s VAL 4 N -1.63 0.24 -0.69 0.00 1.01 -1.26 -0.24 120.40 117.83 1ab7 s VAL 4 Ca 0.41 -0.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.13 1ab7 s VAL 4 Cb -0.13 -0.62 0.13 0.00 0.00 0.00 0.00 36.38 35.77 1ab7 s VAL 4 CO 0.21 -0.00 0.77 -0.63 0.00 0.00 0.00 175.10 175.45 1ab7 s ILE 5 N 2.01 4.99 0.16 2.22 1.09 -0.29 -4.87 121.20 126.51 1ab7 s ILE 5 Ca 0.03 -1.42 0.08 0.00 -1.10 0.00 0.00 60.65 58.23 1ab7 s ILE 5 Cb -0.14 -4.53 -0.16 0.00 -1.06 0.00 0.00 42.46 36.57 1ab7 s ILE 5 CO -0.06 -1.16 1.37 0.78 -0.10 0.00 0.00 174.94 175.77 1ab7 h ASN 6 N 8.83 0.00 0.00 3.58 2.35 -1.89 0.81 115.58 129.26 1ab7 h ASN 6 Ca -0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1ab7 h ASN 6 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1ab7 h ASN 6 CO 1.03 0.89 0.00 0.61 -1.65 0.00 0.00 177.43 178.31 1ab7 n GLY 7 N 1.04 3.07 0.09 2.83 0.00 -1.26 -3.63 105.19 107.33 1ab7 n GLY 7 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.48 0.65 0.18 1.61 4.07 -1.26 -3.88 120.64 120.53 1ab7 n GLU 8 Ca 0.00 0.21 0.08 0.00 -0.06 0.00 0.00 57.16 57.39 1ab7 n GLU 8 Cb 0.00 -1.71 0.10 0.00 -0.06 0.00 0.00 31.44 29.77 1ab7 n GLU 8 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1ab7 h GLN 9 N 0.00 0.00 -4.95 5.31 4.15 -1.98 -3.40 115.11 114.25 1ab7 h GLN 9 Ca -0.37 0.00 -0.68 0.00 0.77 0.00 0.00 58.65 58.37 1ab7 h GLN 9 Cb 2.08 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 29.59 1ab7 h GLN 9 CO 0.06 0.17 0.48 0.42 -1.93 0.00 0.00 178.83 178.03 1ab7 s ILE 10 N -3.13 4.71 0.12 2.39 -1.09 -1.25 -4.87 121.20 118.08 1ab7 s ILE 10 Ca 0.05 -1.12 -0.18 0.00 -2.23 0.00 0.00 60.65 57.16 1ab7 s ILE 10 Cb 0.06 -4.64 -0.04 0.00 -1.58 0.00 0.00 42.46 36.26 1ab7 s ILE 10 CO 0.71 -1.34 1.74 0.03 -1.23 0.00 0.00 174.94 174.85 1ab7 h ARG 11 N 9.07 0.38 -4.57 2.79 3.08 -1.83 -3.45 114.38 119.86 1ab7 h ARG 11 Ca -0.11 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.67 1ab7 h ARG 11 Cb 1.06 -0.08 -0.15 0.00 0.08 0.00 0.00 29.97 30.88 1ab7 h ARG 11 CO 1.10 0.31 -0.64 0.45 -1.07 0.00 0.00 179.97 180.12 1ab7 s SER 12 N -5.53 0.47 0.46 7.04 0.15 -1.26 -4.86 113.70 110.17 1ab7 s SER 12 Ca -0.13 -1.27 0.27 0.00 0.70 0.00 0.00 55.95 55.52 1ab7 s SER 12 Cb 0.09 0.28 1.33 0.00 -1.71 0.00 0.00 66.02 66.01 1ab7 s SER 12 CO 0.71 -0.74 1.77 -0.29 1.20 0.00 0.00 173.24 175.89 1ab7 h ILE 13 N 2.73 0.43 -0.49 6.45 -0.00 -1.85 0.19 117.51 124.97 1ab7 h ILE 13 Ca -0.36 -0.07 0.10 0.00 -0.00 0.00 0.00 64.86 64.53 1ab7 h ILE 13 Cb 1.22 0.22 -0.08 0.00 -0.00 0.00 0.00 36.82 38.17 1ab7 h ILE 13 CO 0.58 0.04 -0.04 -1.28 -0.00 0.00 0.00 178.15 177.45 1ab7 h SER 14 N 0.20 -0.29 1.15 2.19 0.87 -1.95 0.26 113.55 115.98 1ab7 h SER 14 Ca 0.61 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.30 1ab7 h SER 14 Cb 1.95 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 64.15 1ab7 h SER 14 CO -0.19 -0.10 0.00 0.44 -0.53 0.00 0.00 176.83 176.45 1ab7 h ASP 15 N 0.08 0.00 0.74 6.23 3.32 -1.00 -3.08 116.42 122.70 1ab7 h ASP 15 Ca 0.24 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1ab7 h ASP 15 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1ab7 h ASP 15 CO -0.44 0.00 -0.41 0.25 -1.72 0.00 0.00 179.24 176.92 1ab7 h LEU 16 N 0.00 -1.00 -0.95 1.55 5.85 -0.17 0.92 115.31 121.51 1ab7 h LEU 16 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1ab7 h LEU 16 Cb 0.57 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1ab7 h LEU 16 CO 0.00 -0.66 0.00 1.41 -0.34 0.00 0.00 178.44 178.85 1ab7 n HIS 17 N -5.56 0.68 0.06 1.25 8.25 -1.07 -0.53 115.22 118.30 1ab7 n HIS 17 Ca -0.14 0.31 -0.09 0.00 -0.26 0.00 0.00 57.72 57.54 1ab7 n HIS 17 Cb 0.44 -1.00 -0.13 0.00 1.12 0.00 0.00 29.99 30.43 1ab7 n HIS 17 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1ab7 h GLN 18 N 0.00 0.06 -0.03 -0.41 4.20 -1.06 0.17 115.11 118.03 1ab7 h GLN 18 Ca 0.00 -0.10 -0.20 0.00 0.06 0.00 0.00 58.65 58.41 1ab7 h GLN 18 Cb 0.17 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1ab7 h GLN 18 CO 0.00 1.02 -0.83 1.15 -0.67 0.00 0.00 178.83 179.50 1ab7 h THR 19 N 0.02 1.42 0.00 -0.54 2.02 0.15 0.13 112.91 116.10 1ab7 h THR 19 Ca -0.05 -2.36 -0.16 0.00 0.77 0.00 0.00 66.41 64.61 1ab7 h THR 19 Cb 1.82 2.30 -0.02 0.00 -1.74 0.00 0.00 68.15 70.51 1ab7 h THR 19 CO 0.14 0.70 -0.79 -0.07 0.37 0.00 0.00 175.52 175.88 1ab7 h LEU 20 N 0.21 0.00 -0.33 2.58 3.38 -1.27 -1.46 115.31 118.42 1ab7 h LEU 20 Ca -0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1ab7 h LEU 20 Cb 1.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 1ab7 h LEU 20 CO 0.14 0.78 -0.53 0.50 0.09 0.00 0.00 178.44 179.42 1ab7 h LYS 21 N 0.00 0.00 0.19 1.13 3.64 -0.48 -0.58 116.57 120.48 1ab7 h LYS 21 Ca -0.01 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1ab7 h LYS 21 Cb 1.60 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.44 1ab7 h LYS 21 CO 0.10 0.53 -1.50 -0.22 -2.27 0.00 0.00 179.45 176.09 1ab7 h LYS 22 N 0.00 0.41 -0.04 1.90 3.64 -0.64 0.12 116.57 121.96 1ab7 h LYS 22 Ca -0.01 -0.70 -0.10 0.00 -1.27 0.00 0.00 60.65 58.57 1ab7 h LYS 22 Cb 1.27 0.26 0.01 0.00 -0.41 0.00 0.00 32.23 33.36 1ab7 h LYS 22 CO 0.07 1.34 -0.38 0.93 -2.27 0.00 0.00 179.45 179.14 1ab7 h GLU 23 N -0.01 0.32 0.00 1.90 4.39 -1.30 -3.27 114.58 116.62 1ab7 h GLU 23 Ca -0.29 -0.29 -0.15 0.00 0.34 0.00 0.00 59.36 58.97 1ab7 h GLU 23 Cb 2.01 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 30.71 1ab7 h GLU 23 CO 0.19 0.96 -0.73 -0.07 -1.16 0.00 0.00 179.01 178.20 1ab7 h LEU 24 N -0.22 0.00 -1.85 1.33 3.38 -1.25 -3.43 115.31 113.26 1ab7 h LEU 24 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1ab7 h LEU 24 Cb 1.07 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.85 1ab7 h LEU 24 CO 0.08 0.73 -0.15 0.00 0.09 0.00 0.00 178.44 179.19 1ab7 n ALA 25 N -2.28 -0.38 -1.25 1.53 0.00 0.33 -4.82 120.51 113.64 1ab7 n ALA 25 Ca 0.01 -0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 1ab7 n ALA 25 Cb 0.83 -0.92 0.17 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.79 1.70 0.00 0.00 1.43 -0.69 -5.01 118.68 113.32 1ab7 s LEU 26 Ca 0.01 1.15 -0.05 0.00 -1.03 0.00 0.00 54.13 54.20 1ab7 s LEU 26 Cb -0.00 -3.37 0.07 0.00 0.03 0.00 0.00 46.19 42.92 1ab7 s LEU 26 CO 0.14 -3.00 0.36 -0.81 0.23 0.00 0.00 176.35 173.27 1ab7 n PRO 27 N -4.08 -0.81 0.14 1.29 -0.04 -1.26 -4.96 135.00 125.27 1ab7 n PRO 27 Ca 0.05 -0.57 -0.23 0.00 -0.04 0.00 0.00 63.50 62.72 1ab7 n PRO 27 Cb 0.58 -0.42 -0.16 0.00 -0.04 0.00 0.00 33.50 33.46 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 0.50 0.00 0.54 4.57 -2.01 -3.20 114.58 114.97 1ab7 h GLU 28 Ca -0.12 -0.85 0.00 0.00 -1.18 0.00 0.00 59.36 57.21 1ab7 h GLU 28 Cb 0.35 0.32 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1ab7 h GLU 28 CO 0.08 1.41 0.00 2.48 -1.18 0.00 0.00 179.01 181.80 1ab7 n TYR 29 N -3.68 0.00 -1.25 0.92 0.18 -1.26 -4.86 117.16 107.20 1ab7 n TYR 29 Ca -0.16 0.00 -0.56 0.00 1.88 0.00 0.00 57.90 59.06 1ab7 n TYR 29 Cb 1.09 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.95 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 -0.78 1.20 0.21 -3.48 9.36 -1.21 -4.68 117.16 117.78 1ab7 n TYR 30 Ca 0.11 0.79 0.11 0.00 3.32 0.00 0.00 57.90 62.24 1ab7 n TYR 30 Cb 0.05 -2.06 0.61 0.00 -0.63 0.00 0.00 39.34 37.31 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 7.20 0.00 -5.41 2.98 0.00 -1.89 -3.44 103.07 102.51 1ab7 h GLY 31 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.75 1ab7 h GLY 31 CO 0.96 0.00 -0.66 1.18 0.00 0.00 0.00 176.54 178.02 1ab7 n GLU 32 N -2.38 -6.53 -1.46 4.80 1.02 -1.26 -4.92 120.64 109.91 1ab7 n GLU 32 Ca -0.01 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 1ab7 n GLU 32 Cb 0.22 -5.79 0.00 0.00 -0.02 0.00 0.00 31.44 25.85 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 -2.81 0.00 0.14 1.62 0.23 -1.26 -4.89 115.26 108.29 1ab7 n ASN 33 Ca -0.03 -0.80 0.13 0.00 -0.53 0.00 0.00 54.58 53.35 1ab7 n ASN 33 Cb 0.58 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.67 1ab7 n ASN 33 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 1ab7 h LEU 34 N 0.00 0.00 0.00 -4.53 -0.00 -1.92 -1.18 115.31 107.67 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 -0.07 -2.24 -0.00 0.00 0.00 178.44 176.13 1ab7 h ASP 35 N 0.00 0.00 0.54 0.17 2.03 -1.96 -0.93 116.42 116.27 1ab7 h ASP 35 Ca 0.00 -0.87 -0.18 0.00 -0.73 0.00 0.00 57.03 55.25 1ab7 h ASP 35 Cb 0.71 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.20 1ab7 h ASP 35 CO 0.00 0.98 -0.78 0.00 -1.03 0.00 0.00 179.24 178.41 1ab7 h ALA 36 N -0.13 0.65 0.25 4.15 0.00 -1.91 -0.04 119.26 122.22 1ab7 h ALA 36 Ca -0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 1ab7 h ALA 36 Cb 0.92 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ab7 h ALA 36 CO -0.01 0.86 -0.12 1.25 0.00 0.00 0.00 179.25 181.23 1ab7 h LEU 37 N 0.11 -0.28 -1.08 0.00 5.85 -1.34 0.26 115.31 118.84 1ab7 h LEU 37 Ca -0.03 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.53 1ab7 h LEU 37 Cb 1.36 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.40 1ab7 h LEU 37 CO 0.12 0.18 0.62 -0.25 -0.34 0.00 0.00 178.44 178.77 1ab7 h TRP 38 N -0.83 1.11 0.00 1.25 -0.00 -1.20 0.54 115.95 116.82 1ab7 h TRP 38 Ca -0.03 0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 58.82 1ab7 h TRP 38 Cb 0.51 -0.36 -0.01 0.00 -0.00 0.00 0.00 29.16 29.30 1ab7 h TRP 38 CO 0.05 0.53 -0.29 -0.44 -0.00 0.00 0.00 178.44 178.29 1ab7 h ASP 39 N 1.05 0.00 0.00 2.65 3.32 -0.84 -1.30 116.42 121.30 1ab7 h ASP 39 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1ab7 h ASP 39 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1ab7 h ASP 39 CO -0.19 0.29 0.00 0.00 -1.72 0.00 0.00 179.24 177.62 1ab7 n ALA 40 N -2.45 0.00 -0.33 3.45 0.00 0.15 -3.58 120.51 117.75 1ab7 n ALA 40 Ca -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.45 1ab7 n ALA 40 Cb 0.35 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.71 -0.38 -2.05 0.00 4.77 0.11 0.21 117.00 117.95 1ab7 n LEU 41 Ca 0.00 1.54 -0.15 0.00 -0.03 0.00 0.00 56.01 57.37 1ab7 n LEU 41 Cb 0.00 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 40.56 1ab7 n LEU 41 CO 0.00 -1.46 1.48 0.35 -1.33 0.00 0.00 177.39 176.43 1ab7 n THR 42 N -5.43 2.92 0.00 -5.08 -2.24 -0.49 -4.09 114.28 99.87 1ab7 n THR 42 Ca 0.13 -1.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.12 1ab7 n THR 42 Cb 0.43 -1.74 0.00 0.00 -2.10 0.00 0.00 70.33 66.91 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 1.67 0.00 0.51 3.38 0.00 0.38 -4.85 105.19 106.28 1ab7 n GLY 43 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.63 -1.72 1.61 -0.00 0.56 -4.69 117.44 112.57 1ab7 n TRP 44 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.20 1ab7 n TRP 44 Cb 0.00 0.13 0.06 0.00 -0.00 0.00 0.00 31.31 31.50 1ab7 n TRP 44 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1ab7 s VAL 45 N -1.47 3.45 -0.32 5.87 1.01 -1.10 -4.94 120.40 122.90 1ab7 s VAL 45 Ca 0.00 0.47 -0.00 0.00 0.00 0.00 0.00 61.98 62.45 1ab7 s VAL 45 Cb 0.00 -3.34 0.07 0.00 0.00 0.00 0.00 36.38 33.11 1ab7 s VAL 45 CO 0.00 -0.62 0.02 -1.61 0.00 0.00 0.00 175.10 172.90 1ab7 s GLU 46 N -5.23 2.18 0.61 2.72 0.41 -1.26 -4.95 118.70 113.18 1ab7 s GLU 46 Ca 0.59 -1.47 -0.09 0.00 -0.41 0.00 0.00 54.97 53.59 1ab7 s GLU 46 Cb -0.13 -3.21 -0.02 0.00 -1.78 0.00 0.00 34.13 29.00 1ab7 s GLU 46 CO 0.53 -0.74 0.98 0.71 -0.49 0.00 0.00 175.26 176.25 1ab7 s TYR 47 N 1.15 3.51 0.25 1.61 2.02 -1.26 -1.89 117.35 122.75 1ab7 s TYR 47 Ca -0.01 1.07 -0.30 0.00 -0.37 0.00 0.00 57.07 57.46 1ab7 s TYR 47 Cb -0.20 -2.71 -0.09 0.00 -0.40 0.00 0.00 41.96 38.56 1ab7 s TYR 47 CO -0.03 -0.72 1.21 -1.25 -1.57 0.00 0.00 175.55 173.19 1ab7 s PRO 48 N -5.11 4.49 0.28 -1.71 0.04 -1.26 -4.88 135.00 126.85 1ab7 s PRO 48 Ca 0.54 1.97 0.08 0.00 0.04 0.00 0.00 61.00 63.63 1ab7 s PRO 48 Cb -0.11 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 1ab7 s PRO 48 CO 0.51 -0.05 0.12 -1.17 0.04 0.00 0.00 177.00 176.45 1ab7 s LEU 49 N -0.99 3.46 -0.34 -3.56 2.96 -0.34 -3.34 118.68 116.52 1ab7 s LEU 49 Ca 0.50 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1ab7 s LEU 49 Cb -0.35 -1.99 0.10 0.00 0.50 0.00 0.00 46.19 44.46 1ab7 s LEU 49 CO 0.42 -0.10 0.09 -0.69 -1.32 0.00 0.00 176.35 174.75 1ab7 s VAL 50 N -2.27 1.75 -1.39 1.68 1.01 0.01 -0.66 120.40 120.52 1ab7 s VAL 50 Ca 0.34 -2.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.15 1ab7 s VAL 50 Cb -0.06 -2.29 0.09 0.00 0.00 0.00 0.00 36.38 34.11 1ab7 s VAL 50 CO 0.23 -0.65 2.19 -0.11 0.00 0.00 0.00 175.10 176.76 1ab7 n LEU 51 N 4.38 7.16 -4.57 3.92 7.94 0.24 0.35 117.00 136.43 1ab7 n LEU 51 Ca 0.02 -4.46 -0.21 0.00 -1.11 0.00 0.00 56.01 50.25 1ab7 n LEU 51 Cb 0.41 -1.54 -0.07 0.00 0.53 0.00 0.00 43.42 42.75 1ab7 n LEU 51 CO 0.19 1.45 1.29 -0.70 -1.11 0.00 0.00 177.39 178.51 1ab7 s GLU 52 N 1.42 1.97 -0.80 1.96 2.12 0.67 -1.63 118.70 124.40 1ab7 s GLU 52 Ca 0.47 -0.38 -0.26 0.00 0.36 0.00 0.00 54.97 55.17 1ab7 s GLU 52 Cb 0.13 -5.03 0.04 0.00 0.26 0.00 0.00 34.13 29.54 1ab7 s GLU 52 CO -0.05 -4.33 1.30 -0.46 -0.54 0.00 0.00 175.26 171.18 1ab7 s TRP 53 N 13.18 2.38 0.00 5.30 -0.11 0.46 -1.14 118.94 139.01 1ab7 s TRP 53 Ca 0.78 -0.29 0.00 0.00 1.22 0.00 0.00 56.10 57.81 1ab7 s TRP 53 Cb -0.06 -4.62 0.00 0.00 -1.50 0.00 0.00 33.47 27.29 1ab7 s TRP 53 CO 0.10 -2.01 0.00 0.54 -4.62 0.00 0.00 176.95 170.96 1ab7 n ARG 54 N 9.11 3.10 -1.51 5.86 1.74 0.28 -3.87 116.66 131.37 1ab7 n ARG 54 Ca 0.10 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.86 1ab7 n ARG 54 Cb 0.49 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.77 1ab7 n ARG 54 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1ab7 n GLN 55 N 0.00 0.13 0.00 5.56 7.27 -1.24 -4.64 117.38 124.46 1ab7 n GLN 55 Ca 0.00 -0.06 0.13 0.00 0.07 0.00 0.00 57.00 57.15 1ab7 n GLN 55 Cb 0.00 -1.64 0.63 0.00 2.41 0.00 0.00 30.24 31.64 1ab7 n GLN 55 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1ab7 n PHE 56 N 9.76 0.00 0.00 3.69 -0.00 -1.26 -4.17 117.46 125.47 1ab7 n PHE 56 Ca 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 58.08 1ab7 n PHE 56 Cb 0.14 -0.42 0.00 0.00 -0.00 0.00 0.00 39.48 39.20 1ab7 n PHE 56 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1ab7 n GLU 57 N -1.42 0.00 -1.42 -4.13 4.71 -1.26 -4.30 120.64 112.82 1ab7 n GLU 57 Ca 0.09 0.11 -0.38 0.00 -0.01 0.00 0.00 57.16 56.97 1ab7 n GLU 57 Cb 0.28 -0.90 0.04 0.00 -1.01 0.00 0.00 31.44 29.86 1ab7 n GLU 57 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ab7 n GLN 58 N -0.83 0.45 0.00 3.49 10.64 -1.26 -1.52 117.38 128.36 1ab7 n GLN 58 Ca 0.00 0.18 0.00 0.00 -1.83 0.00 0.00 57.00 55.35 1ab7 n GLN 58 Cb 0.00 -1.70 0.00 0.00 -0.86 0.00 0.00 30.24 27.68 1ab7 n GLN 58 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1ab7 n SER 59 N 0.43 0.00 -0.07 2.61 7.64 -1.26 -4.76 113.62 118.20 1ab7 n SER 59 Ca 0.11 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.85 1ab7 n SER 59 Cb 0.48 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.56 1ab7 n SER 59 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1ab7 h LYS 60 N 0.28 0.00 0.00 1.43 3.64 -1.46 -3.32 116.57 117.14 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 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ab7 h LYS 60 CO 0.00 0.95 -0.03 1.96 -2.27 0.00 0.00 179.45 180.06 1ab7 h GLN 61 N -1.00 0.00 0.00 1.90 4.20 -1.86 -3.08 115.11 115.27 1ab7 h GLN 61 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1ab7 h GLN 61 Cb 0.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.75 1ab7 h GLN 61 CO -0.02 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.42 1ab7 n LEU 62 N -2.42 0.00 0.00 1.46 4.32 -1.25 -4.73 117.00 114.39 1ab7 n LEU 62 Ca 0.05 0.31 0.00 0.00 -0.02 0.00 0.00 56.01 56.35 1ab7 n LEU 62 Cb 0.45 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 1ab7 n LEU 62 CO 0.31 -0.14 0.00 1.07 -1.22 0.00 0.00 177.39 177.42 1ab7 n THR 63 N -1.31 0.00 -2.99 -5.08 5.66 -1.16 -4.74 114.28 104.65 1ab7 n THR 63 Ca 0.08 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.91 1ab7 n THR 63 Cb 0.14 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.91 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 -1.02 1.09 -0.00 -1.26 -4.88 120.64 115.33 1ab7 n GLU 64 Ca 0.00 -2.57 -0.01 0.00 -0.00 0.00 0.00 57.16 54.58 1ab7 n GLU 64 Cb 0.00 -1.33 -0.00 0.00 -0.00 0.00 0.00 31.44 30.10 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 -3.11 0.16 -1.84 2.85 -1.26 -4.96 115.26 108.51 1ab7 n ASN 65 Ca 0.16 0.02 -0.07 0.00 -0.11 0.00 0.00 54.58 54.58 1ab7 n ASN 65 Cb 0.58 -0.69 -0.03 0.00 1.24 0.00 0.00 39.78 40.89 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 -0.45 0.84 8.20 0.00 -1.89 -1.19 103.07 108.59 1ab7 h GLY 66 Ca -0.02 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.51 1ab7 h GLY 66 CO 0.02 -0.16 0.38 0.00 0.00 0.00 0.00 176.54 176.78 1ab7 h ALA 67 N -1.66 0.82 -0.16 3.60 0.00 -1.85 0.49 119.26 120.50 1ab7 h ALA 67 Ca -0.04 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1ab7 h ALA 67 Cb 0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ab7 h ALA 67 CO 0.07 0.11 0.19 0.93 0.00 0.00 0.00 179.25 180.55 1ab7 h GLU 68 N 0.74 0.00 0.00 0.00 5.08 -1.90 -1.01 114.58 117.48 1ab7 h GLU 68 Ca 0.26 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1ab7 h GLU 68 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1ab7 h GLU 68 CO -0.12 0.00 -0.39 0.66 -1.00 0.00 0.00 179.01 178.16 1ab7 h SER 69 N 0.00 0.00 -0.48 1.42 4.64 0.36 -0.61 113.55 118.89 1ab7 h SER 69 Ca 0.08 -0.65 0.14 0.00 -0.47 0.00 0.00 61.79 60.89 1ab7 h SER 69 Cb 0.45 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1ab7 h SER 69 CO -0.00 1.05 0.44 0.58 -0.87 0.00 0.00 176.83 178.03 1ab7 h VAL 70 N -1.00 0.47 0.20 0.95 2.07 -0.94 0.21 116.25 118.22 1ab7 h VAL 70 Ca -0.10 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.13 1ab7 h VAL 70 Cb 0.91 0.66 0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1ab7 h VAL 70 CO -0.06 0.00 -1.34 0.25 0.02 0.00 0.00 177.57 176.44 1ab7 h LEU 71 N 0.00 0.68 -2.09 2.57 5.85 -1.22 -0.49 115.31 120.61 1ab7 h LEU 71 Ca 0.23 -0.93 0.05 0.00 0.84 0.00 0.00 57.88 58.07 1ab7 h LEU 71 Cb 1.11 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1ab7 h LEU 71 CO -0.00 1.63 0.13 1.56 -0.34 0.00 0.00 178.44 181.42 1ab7 h GLN 72 N -0.04 0.00 0.02 1.25 4.20 0.10 -0.56 115.11 120.08 1ab7 h GLN 72 Ca -0.24 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.35 1ab7 h GLN 72 Cb 1.98 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.75 1ab7 h GLN 72 CO 0.21 0.00 -0.63 0.28 -0.67 0.00 0.00 178.83 178.02 1ab7 h VAL 73 N 0.00 1.40 -0.25 -0.54 2.07 -1.20 -0.72 116.25 117.01 1ab7 h VAL 73 Ca 0.08 -2.31 0.06 0.00 0.82 0.00 0.00 66.70 65.35 1ab7 h VAL 73 Cb 0.34 2.91 -0.07 0.00 -1.52 0.00 0.00 31.29 32.94 1ab7 h VAL 73 CO -0.00 0.52 -0.30 -0.26 0.02 0.00 0.00 177.57 177.55 1ab7 h PHE 74 N -0.89 -0.82 -0.70 1.57 0.04 -0.66 0.16 116.94 115.64 1ab7 h PHE 74 Ca -0.16 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 1ab7 h PHE 74 Cb 1.22 0.40 -0.03 0.00 2.20 0.00 0.00 35.95 39.73 1ab7 h PHE 74 CO 0.20 -0.37 0.39 0.00 -0.60 0.00 0.00 178.31 177.92 1ab7 h ARG 75 N -0.30 0.98 -0.39 1.51 3.08 -1.25 -1.09 114.38 116.91 1ab7 h ARG 75 Ca 0.13 -0.12 0.11 0.00 0.07 0.00 0.00 59.98 60.18 1ab7 h ARG 75 Cb 0.52 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1ab7 h ARG 75 CO -0.43 0.74 0.32 0.93 -1.07 0.00 0.00 179.97 180.46 1ab7 h GLU 76 N 0.97 0.00 0.00 0.04 5.08 0.79 0.27 114.58 121.73 1ab7 h GLU 76 Ca 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1ab7 h GLU 76 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1ab7 h GLU 76 CO -0.04 0.00 -0.05 0.00 -1.00 0.00 0.00 179.01 177.92 1ab7 h ALA 77 N 1.73 0.01 0.00 3.43 0.00 0.36 -1.56 119.26 123.24 1ab7 h ALA 77 Ca 0.19 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ab7 h ALA 77 Cb 0.82 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ab7 h ALA 77 CO -0.00 0.03 0.00 0.36 0.00 0.00 0.00 179.25 179.64 1ab7 n LYS 78 N -4.65 0.09 -0.00 0.00 -0.00 -0.67 0.13 118.16 113.07 1ab7 n LYS 78 Ca -0.08 0.55 -0.00 0.00 -0.00 0.00 0.00 58.31 58.78 1ab7 n LYS 78 Cb 0.37 -1.77 -0.00 0.00 -0.00 0.00 0.00 35.03 33.62 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 -1.67 0.01 0.06 0.58 0.00 0.88 -4.61 120.51 115.75 1ab7 n ALA 79 Ca -0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.16 1ab7 n ALA 79 Cb 0.05 0.00 -0.09 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 -0.01 -0.59 0.00 0.00 4.39 -1.24 -3.44 114.58 113.68 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 0.01 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 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 -1.41 0.15 3.20 -3.84 0.00 -0.81 -5.09 105.19 97.38 1ab7 n GLY 81 Ca -0.07 -0.08 -0.39 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 -0.98 -3.02 -2.73 4.61 0.00 0.35 -4.84 120.51 113.90 1ab7 n ALA 82 Ca 0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 53.44 53.05 1ab7 n ALA 82 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.06 1ab7 n ALA 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ab7 n ASP 83 N 2.43 6.55 -4.82 0.00 9.92 -1.26 -3.68 116.55 125.69 1ab7 n ASP 83 Ca 0.08 -3.69 -0.28 0.00 -0.53 0.00 0.00 54.79 50.38 1ab7 n ASP 83 Cb 0.45 -1.00 -0.05 0.00 -0.64 0.00 0.00 41.12 39.88 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 -4.36 4.67 -0.48 0.53 1.01 -1.26 -1.20 121.20 120.11 1ab7 s ILE 84 Ca 0.42 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 1ab7 s ILE 84 Cb 0.21 -3.34 0.13 0.00 0.01 0.00 0.00 42.46 39.47 1ab7 s ILE 84 CO -0.13 -0.02 0.28 -0.89 0.00 0.00 0.00 174.94 174.18 1ab7 s THR 85 N -1.62 3.51 -0.25 2.92 2.01 0.17 -4.62 115.64 117.75 1ab7 s THR 85 Ca 0.31 -2.27 -0.27 0.00 0.31 0.00 0.00 61.69 59.76 1ab7 s THR 85 Cb -0.11 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 69.05 1ab7 s THR 85 CO 0.24 -0.75 0.97 -0.63 -0.69 0.00 0.00 174.62 173.75 1ab7 s ILE 86 N 0.83 4.72 -0.13 1.82 1.09 -1.26 -0.59 121.20 127.68 1ab7 s ILE 86 Ca 0.10 1.82 0.01 0.00 -1.10 0.00 0.00 60.65 61.48 1ab7 s ILE 86 Cb -0.22 -4.25 -0.00 0.00 -1.06 0.00 0.00 42.46 36.92 1ab7 s ILE 86 CO -0.04 -0.18 -0.17 -0.63 -0.10 0.00 0.00 174.94 173.82 1ab7 s ILE 87 N 3.12 2.58 -0.46 2.92 1.09 -0.65 -4.97 121.20 124.83 1ab7 s ILE 87 Ca 0.41 -0.82 0.09 0.00 -1.10 0.00 0.00 60.65 59.23 1ab7 s ILE 87 Cb -0.15 -2.06 0.33 0.00 -1.06 0.00 0.00 42.46 39.52 1ab7 s ILE 87 CO 0.08 0.53 0.77 0.18 -0.10 0.00 0.00 174.94 176.40 1ab7 n LEU 88 N 3.79 2.11 0.00 2.97 4.77 -1.26 -0.40 117.00 128.97 1ab7 n LEU 88 Ca -0.19 -5.21 0.00 0.00 -0.03 0.00 0.00 56.01 50.58 1ab7 n LEU 88 Cb 0.52 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1ab7 n LEU 88 CO 0.29 2.27 0.17 -0.24 -1.33 0.00 0.00 177.39 178.54