#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 1.01 0.29 1.64 2.20 -1.26 -0.32 119.74 123.31 1ab7 s LYS 2 Ca 0.00 -1.41 -0.25 0.00 -0.36 0.00 0.00 55.97 53.95 1ab7 s LYS 2 Cb 0.00 -2.45 -0.09 0.00 -1.51 0.00 0.00 37.83 33.78 1ab7 s LYS 2 CO 0.00 -0.98 0.90 0.00 -0.36 0.00 0.00 175.35 174.92 1ab7 s ALA 3 N 1.30 3.26 -0.05 3.13 0.00 0.34 -4.83 121.76 124.92 1ab7 s ALA 3 Ca 0.11 0.47 -0.01 0.00 0.00 0.00 0.00 51.96 52.53 1ab7 s ALA 3 Cb -0.18 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 19.84 1ab7 s ALA 3 CO -0.18 0.21 0.01 0.08 0.00 0.00 0.00 175.76 175.88 1ab7 s VAL 4 N -1.54 0.21 -0.17 0.00 1.01 -1.26 -0.18 120.40 118.47 1ab7 s VAL 4 Ca 0.48 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.49 1ab7 s VAL 4 Cb -0.19 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1ab7 s VAL 4 CO 0.24 0.21 0.28 -0.63 0.00 0.00 0.00 175.10 175.20 1ab7 s ILE 5 N 1.68 5.31 -0.31 2.22 -1.09 -0.44 -4.91 121.20 123.66 1ab7 s ILE 5 Ca -0.00 0.51 0.03 0.00 -2.23 0.00 0.00 60.65 58.95 1ab7 s ILE 5 Cb -0.13 -3.62 0.08 0.00 -1.58 0.00 0.00 42.46 37.22 1ab7 s ILE 5 CO -0.03 0.38 0.00 0.20 -1.23 0.00 0.00 174.94 174.25 1ab7 s ASN 6 N 0.55 4.71 0.00 3.58 -0.87 -1.26 -0.52 114.94 121.13 1ab7 s ASN 6 Ca 0.15 -1.79 0.24 0.00 -1.57 0.00 0.00 52.86 49.89 1ab7 s ASN 6 Cb -0.13 -1.63 1.30 0.00 -0.02 0.00 0.00 41.25 40.78 1ab7 s ASN 6 CO 0.04 -0.31 1.79 0.61 -2.57 0.00 0.00 177.10 176.65 1ab7 n GLY 7 N 4.38 -0.91 0.05 0.66 0.00 -1.26 -1.49 105.19 106.61 1ab7 n GLY 7 Ca -0.05 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.15 0.22 -0.00 1.61 2.13 -1.26 -4.12 120.64 118.07 1ab7 n GLU 8 Ca 0.14 0.06 0.00 0.00 0.66 0.00 0.00 57.16 58.02 1ab7 n GLU 8 Cb 0.14 -1.63 -0.01 0.00 0.27 0.00 0.00 31.44 30.21 1ab7 n GLU 8 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1ab7 n GLN 9 N -1.95 0.84 -2.30 5.31 7.27 -0.99 -4.93 117.38 120.63 1ab7 n GLN 9 Ca 0.04 -0.01 -0.40 0.00 0.07 0.00 0.00 57.00 56.70 1ab7 n GLN 9 Cb 0.41 -1.02 -0.03 0.00 2.41 0.00 0.00 30.24 32.02 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 -2.05 3.59 0.12 1.69 -1.09 -0.56 -4.82 121.20 118.08 1ab7 s ILE 10 Ca -0.00 0.39 -0.15 0.00 -2.23 0.00 0.00 60.65 58.65 1ab7 s ILE 10 Cb 0.00 -4.40 -0.04 0.00 -1.58 0.00 0.00 42.46 36.45 1ab7 s ILE 10 CO 0.03 -1.30 1.55 0.03 -1.23 0.00 0.00 174.94 174.02 1ab7 h ARG 11 N 12.25 0.66 -4.06 2.79 3.08 -1.90 -3.47 114.38 123.73 1ab7 h ARG 11 Ca -0.27 -0.22 -0.21 0.00 0.07 0.00 0.00 59.98 59.34 1ab7 h ARG 11 Cb 1.11 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 31.01 1ab7 h ARG 11 CO 1.23 0.78 -0.23 0.45 -1.07 0.00 0.00 179.97 181.13 1ab7 s SER 12 N -6.19 0.56 0.49 7.04 0.15 -1.26 -4.96 113.70 109.54 1ab7 s SER 12 Ca -0.13 -1.33 0.27 0.00 0.70 0.00 0.00 55.95 55.46 1ab7 s SER 12 Cb 0.09 0.61 1.47 0.00 -1.71 0.00 0.00 66.02 66.48 1ab7 s SER 12 CO 0.79 -1.20 1.80 -0.29 1.20 0.00 0.00 173.24 175.54 1ab7 h ILE 13 N 2.21 0.00 -0.60 6.45 6.09 -1.88 -0.18 117.51 129.60 1ab7 h ILE 13 Ca -0.29 0.00 0.01 0.00 -1.37 0.00 0.00 64.86 63.22 1ab7 h ILE 13 Cb 1.24 0.60 -0.03 0.00 0.47 0.00 0.00 36.82 39.10 1ab7 h ILE 13 CO 0.40 0.00 0.39 -1.28 -3.07 0.00 0.00 178.15 174.59 1ab7 h SER 14 N 0.00 0.67 1.44 2.19 0.87 -1.98 -0.28 113.55 116.46 1ab7 h SER 14 Ca 0.00 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1ab7 h SER 14 Cb 0.32 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1ab7 h SER 14 CO 0.00 0.48 -0.15 0.44 -0.53 0.00 0.00 176.83 177.07 1ab7 h ASP 15 N 0.79 0.00 0.01 6.23 3.32 -1.42 -3.16 116.42 122.21 1ab7 h ASP 15 Ca 0.23 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1ab7 h ASP 15 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1ab7 h ASP 15 CO -0.06 0.15 -0.01 0.25 -1.72 0.00 0.00 179.24 177.85 1ab7 h LEU 16 N 0.00 -0.02 -2.08 1.55 5.85 -0.91 -0.03 115.31 119.67 1ab7 h LEU 16 Ca -0.00 -0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.61 1ab7 h LEU 16 Cb 0.90 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1ab7 h LEU 16 CO 0.02 0.18 0.26 0.45 -0.34 0.00 0.00 178.44 179.01 1ab7 h HIS 17 N -0.22 0.00 0.02 1.25 3.86 -1.23 0.17 115.15 119.00 1ab7 h HIS 17 Ca -0.00 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.98 1ab7 h HIS 17 Cb 0.21 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 1ab7 h HIS 17 CO -0.01 0.00 -1.10 1.96 0.86 0.00 0.00 177.93 179.64 1ab7 h GLN 18 N 0.00 0.05 -0.17 2.45 4.20 -1.39 -0.04 115.11 120.21 1ab7 h GLN 18 Ca 0.15 -0.08 -0.18 0.00 0.06 0.00 0.00 58.65 58.60 1ab7 h GLN 18 Cb 0.66 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 1ab7 h GLN 18 CO -0.00 1.00 -0.61 1.15 -0.67 0.00 0.00 178.83 179.70 1ab7 h THR 19 N 0.01 1.32 0.20 -0.54 2.02 0.12 0.42 112.91 116.46 1ab7 h THR 19 Ca -0.05 -1.87 -0.31 0.00 0.77 0.00 0.00 66.41 64.94 1ab7 h THR 19 Cb 1.82 1.84 0.02 0.00 -1.74 0.00 0.00 68.15 70.10 1ab7 h THR 19 CO 0.14 0.58 -1.42 -0.07 0.37 0.00 0.00 175.52 175.13 1ab7 h LEU 20 N 0.44 0.66 -1.63 2.58 3.38 -1.30 -1.30 115.31 118.15 1ab7 h LEU 20 Ca -0.01 -0.73 -0.02 0.00 0.09 0.00 0.00 57.88 57.22 1ab7 h LEU 20 Cb 1.18 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1ab7 h LEU 20 CO 0.12 1.57 -0.07 0.50 0.09 0.00 0.00 178.44 180.65 1ab7 h LYS 21 N 0.11 0.00 0.11 1.13 3.64 -0.92 0.13 116.57 120.78 1ab7 h LYS 21 Ca -0.22 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.91 1ab7 h LYS 21 Cb 2.09 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.91 1ab7 h LYS 21 CO 0.24 0.07 -1.29 -0.22 -2.27 0.00 0.00 179.45 175.98 1ab7 h LYS 22 N 0.00 0.24 0.29 1.90 3.64 -0.02 -1.50 116.57 121.12 1ab7 h LYS 22 Ca -0.00 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 58.95 1ab7 h LYS 22 Cb 0.48 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1ab7 h LYS 22 CO 0.01 1.20 -0.14 0.93 -2.27 0.00 0.00 179.45 179.18 1ab7 h GLU 23 N -0.34 -0.38 0.00 1.90 5.08 -1.05 -3.25 114.58 116.54 1ab7 h GLU 23 Ca -0.28 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 1ab7 h GLU 23 Cb 1.72 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 1ab7 h GLU 23 CO 0.06 -0.23 -0.19 -0.07 -1.00 0.00 0.00 179.01 177.59 1ab7 h LEU 24 N -1.10 0.00 -2.12 1.33 3.38 -0.96 -3.47 115.31 112.37 1ab7 h LEU 24 Ca -0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1ab7 h LEU 24 Cb 0.32 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.14 1ab7 h LEU 24 CO 0.07 0.19 -0.32 0.00 0.09 0.00 0.00 178.44 178.47 1ab7 n ALA 25 N -2.36 -0.94 -1.85 1.53 0.00 -0.63 -4.81 120.51 111.44 1ab7 n ALA 25 Ca -0.02 -0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 1ab7 n ALA 25 Cb 0.28 -1.65 0.05 0.00 0.00 0.00 0.00 19.45 18.13 1ab7 n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ab7 s LEU 26 N -3.80 2.89 0.00 0.00 1.43 -0.83 -5.00 118.68 113.38 1ab7 s LEU 26 Ca 0.05 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 1ab7 s LEU 26 Cb -0.01 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.26 1ab7 s LEU 26 CO 0.29 -1.37 0.00 -0.81 0.23 0.00 0.00 176.35 174.69 1ab7 n PRO 27 N -3.03 0.07 -0.05 1.29 -0.04 -1.26 -4.92 135.00 127.06 1ab7 n PRO 27 Ca 0.07 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.38 1ab7 n PRO 27 Cb 0.57 0.00 -0.13 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 0.05 0.00 0.54 4.81 -2.01 -3.24 114.58 114.73 1ab7 h GLU 28 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1ab7 h GLU 28 Cb 0.00 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1ab7 h GLU 28 CO 0.00 1.04 0.00 2.48 -0.73 0.00 0.00 179.01 181.80 1ab7 n TYR 29 N -4.52 0.00 -1.29 0.92 0.18 -1.26 -4.80 117.16 106.39 1ab7 n TYR 29 Ca -0.11 0.00 -0.51 0.00 1.88 0.00 0.00 57.90 59.16 1ab7 n TYR 29 Cb 0.54 -0.45 -0.07 0.00 -0.38 0.00 0.00 39.34 38.99 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 -1.45 0.57 -3.47 -3.48 9.36 -1.22 -4.88 117.16 112.59 1ab7 n TYR 30 Ca 0.02 0.91 -0.38 0.00 3.32 0.00 0.00 57.90 61.77 1ab7 n TYR 30 Cb 0.08 -1.79 -0.06 0.00 -0.63 0.00 0.00 39.34 36.94 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 0.07 2.50 -0.14 2.98 0.00 -1.26 -4.96 107.32 106.51 1ab7 s GLY 31 Ca 0.78 -0.19 0.03 0.00 0.00 0.00 0.00 44.72 45.34 1ab7 s GLY 31 CO 0.49 0.21 1.22 -1.84 0.00 0.00 0.00 173.10 173.18 1ab7 n GLU 32 N 1.90 1.85 -2.41 2.90 -0.00 -1.26 -3.41 120.64 120.20 1ab7 n GLU 32 Ca -0.13 -1.18 -0.10 0.00 -0.00 0.00 0.00 57.16 55.75 1ab7 n GLU 32 Cb 0.52 -1.58 0.00 0.00 -0.00 0.00 0.00 31.44 30.39 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 0.00 1.69 -0.00 -1.84 0.23 -1.26 -4.80 115.26 109.27 1ab7 n ASN 33 Ca 0.19 -1.75 0.14 0.00 -0.53 0.00 0.00 54.58 52.63 1ab7 n ASN 33 Cb 0.83 -0.02 0.59 0.00 -2.08 0.00 0.00 39.78 39.11 1ab7 n ASN 33 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ab7 n LEU 34 N 0.00 0.05 -0.06 -4.53 -0.00 -1.26 -2.47 117.00 108.73 1ab7 n LEU 34 Ca -0.01 0.45 -0.03 0.00 -0.00 0.00 0.00 56.01 56.42 1ab7 n LEU 34 Cb 0.25 -0.47 -0.02 0.00 -0.00 0.00 0.00 43.42 43.18 1ab7 n LEU 34 CO 0.15 0.01 -0.05 -2.24 -0.00 0.00 0.00 177.39 175.26 1ab7 h ASP 35 N 0.00 0.00 -0.29 1.45 2.03 -1.94 -2.66 116.42 115.01 1ab7 h ASP 35 Ca 0.00 -0.09 -0.19 0.00 -0.73 0.00 0.00 57.03 56.02 1ab7 h ASP 35 Cb 0.49 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 1ab7 h ASP 35 CO 0.00 0.61 -0.56 0.00 -1.03 0.00 0.00 179.24 178.26 1ab7 h ALA 36 N -0.91 0.46 0.26 4.15 0.00 -1.80 0.14 119.26 121.55 1ab7 h ALA 36 Ca -0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1ab7 h ALA 36 Cb 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ab7 h ALA 36 CO -0.00 0.68 -0.12 1.25 0.00 0.00 0.00 179.25 181.05 1ab7 h LEU 37 N 0.67 -0.29 -1.07 0.00 5.85 -1.50 0.21 115.31 119.19 1ab7 h LEU 37 Ca 0.01 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.64 1ab7 h LEU 37 Cb 1.17 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 1ab7 h LEU 37 CO 0.12 -0.04 0.63 -0.25 -0.34 0.00 0.00 178.44 178.56 1ab7 h TRP 38 N -0.55 1.16 -0.01 1.25 2.91 -1.50 0.44 115.95 119.65 1ab7 h TRP 38 Ca -0.04 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.00 1ab7 h TRP 38 Cb 0.40 -0.39 -0.00 0.00 -0.51 0.00 0.00 29.16 28.66 1ab7 h TRP 38 CO -0.00 0.66 -0.05 -0.44 -1.03 0.00 0.00 178.44 177.57 1ab7 h ASP 39 N 1.19 0.01 0.00 2.65 3.32 -0.49 -1.17 116.42 121.93 1ab7 h ASP 39 Ca 0.39 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1ab7 h ASP 39 Cb 0.04 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1ab7 h ASP 39 CO -0.13 0.06 -0.00 0.00 -1.72 0.00 0.00 179.24 177.45 1ab7 h ALA 40 N 1.94 0.00 -0.88 3.45 0.00 0.30 0.67 119.26 124.74 1ab7 h ALA 40 Ca 0.00 -0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.05 1ab7 h ALA 40 Cb 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.72 1ab7 h ALA 40 CO 0.01 0.00 -0.18 1.28 0.00 0.00 0.00 179.25 180.36 1ab7 n LEU 41 N -2.12 -0.28 0.08 0.00 4.77 0.55 0.27 117.00 120.27 1ab7 n LEU 41 Ca -0.00 1.51 -0.11 0.00 -0.03 0.00 0.00 56.01 57.38 1ab7 n LEU 41 Cb 0.00 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.56 1ab7 n LEU 41 CO 0.00 -1.46 0.15 0.71 -1.33 0.00 0.00 177.39 175.46 1ab7 h THR 42 N 0.00 1.51 -1.73 -5.08 1.35 -1.36 -3.31 112.91 104.29 1ab7 h THR 42 Ca 0.44 -2.81 -0.49 0.00 -0.55 0.00 0.00 66.41 63.00 1ab7 h THR 42 Cb 0.72 2.63 -0.41 0.00 -1.73 0.00 0.00 68.15 69.37 1ab7 h THR 42 CO -0.89 0.82 -1.01 0.61 -0.25 0.00 0.00 175.52 174.80 1ab7 n GLY 43 N 1.11 3.85 0.01 5.82 0.00 0.37 -4.83 105.19 111.52 1ab7 n GLY 43 Ca -0.05 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.03 -0.01 -1.67 1.61 -0.00 0.76 -4.52 117.44 113.57 1ab7 n TRP 44 Ca 0.24 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.45 1ab7 n TRP 44 Cb 0.64 0.00 0.11 0.00 -0.00 0.00 0.00 31.31 32.07 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 -1.03 2.13 -0.26 5.87 1.01 -0.60 -4.93 120.40 122.59 1ab7 s VAL 45 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1ab7 s VAL 45 Cb 0.00 -2.88 0.07 0.00 0.00 0.00 0.00 36.38 33.57 1ab7 s VAL 45 CO 0.00 -0.06 -0.02 -1.61 0.00 0.00 0.00 175.10 173.41 1ab7 s GLU 46 N -5.37 1.51 0.54 2.72 8.01 -1.26 -4.92 118.70 119.93 1ab7 s GLU 46 Ca 0.63 -1.13 -0.06 0.00 0.01 0.00 0.00 54.97 54.42 1ab7 s GLU 46 Cb -0.13 -2.61 -0.02 0.00 -4.31 0.00 0.00 34.13 27.06 1ab7 s GLU 46 CO 0.52 -0.69 0.85 0.71 0.01 0.00 0.00 175.26 176.67 1ab7 s TYR 47 N 1.35 3.42 0.44 1.61 2.02 -1.26 -2.06 117.35 122.87 1ab7 s TYR 47 Ca -0.02 0.76 -0.24 0.00 -0.37 0.00 0.00 57.07 57.21 1ab7 s TYR 47 Cb -0.19 -2.53 -0.08 0.00 -0.40 0.00 0.00 41.96 38.77 1ab7 s TYR 47 CO -0.09 -0.56 1.17 -1.25 -1.57 0.00 0.00 175.55 173.26 1ab7 s PRO 48 N -4.88 3.83 0.24 -1.71 0.04 -1.26 -4.81 135.00 126.45 1ab7 s PRO 48 Ca 0.51 1.80 0.11 0.00 0.04 0.00 0.00 61.00 63.46 1ab7 s PRO 48 Cb -0.10 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.91 1ab7 s PRO 48 CO 0.46 -0.50 -0.20 -1.17 0.04 0.00 0.00 177.00 175.63 1ab7 s LEU 49 N -2.88 2.54 -0.33 -3.56 2.96 -0.24 -0.58 118.68 116.59 1ab7 s LEU 49 Ca 0.62 -0.99 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 1ab7 s LEU 49 Cb -0.29 -1.03 0.10 0.00 0.50 0.00 0.00 46.19 45.47 1ab7 s LEU 49 CO 0.36 0.02 0.06 -0.69 -1.32 0.00 0.00 176.35 174.78 1ab7 s VAL 50 N -2.38 1.92 -1.45 1.68 1.01 0.57 0.20 120.40 121.94 1ab7 s VAL 50 Ca 0.26 -2.12 -0.08 0.00 0.00 0.00 0.00 61.98 60.04 1ab7 s VAL 50 Cb -0.05 -2.43 0.03 0.00 0.00 0.00 0.00 36.38 33.94 1ab7 s VAL 50 CO 0.12 -0.62 2.55 -0.11 0.00 0.00 0.00 175.10 177.04 1ab7 n LEU 51 N 4.39 8.08 -4.57 3.92 7.94 0.12 0.13 117.00 137.01 1ab7 n LEU 51 Ca 0.03 -4.59 -0.14 0.00 -1.11 0.00 0.00 56.01 50.20 1ab7 n LEU 51 Cb 0.42 -1.48 -0.09 0.00 0.53 0.00 0.00 43.42 42.80 1ab7 n LEU 51 CO 0.19 1.90 1.16 -0.70 -1.11 0.00 0.00 177.39 178.83 1ab7 s GLU 52 N 0.74 1.39 0.02 1.96 2.12 0.75 -1.49 118.70 124.20 1ab7 s GLU 52 Ca 0.58 0.15 -0.30 0.00 0.36 0.00 0.00 54.97 55.75 1ab7 s GLU 52 Cb 0.17 -4.85 -0.04 0.00 0.26 0.00 0.00 34.13 29.66 1ab7 s GLU 52 CO -0.07 -4.92 1.09 -0.46 -0.54 0.00 0.00 175.26 170.36 1ab7 s TRP 53 N 15.88 3.53 0.00 5.30 -0.11 -0.60 -1.33 118.94 141.61 1ab7 s TRP 53 Ca 0.89 1.49 0.00 0.00 1.22 0.00 0.00 56.10 59.70 1ab7 s TRP 53 Cb -0.10 -3.27 0.00 0.00 -1.50 0.00 0.00 33.47 28.60 1ab7 s TRP 53 CO 0.12 -0.65 0.00 0.54 -4.62 0.00 0.00 176.95 172.34 1ab7 n ARG 54 N 4.01 0.00 0.18 5.86 5.12 0.33 -2.97 116.66 129.18 1ab7 n ARG 54 Ca 0.08 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.92 1ab7 n ARG 54 Cb 0.49 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.75 1ab7 n ARG 54 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 1ab7 h GLN 55 N 0.00 -0.49 0.00 5.56 1.08 -1.80 -2.97 115.11 116.50 1ab7 h GLN 55 Ca 0.00 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1ab7 h GLN 55 Cb 0.00 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1ab7 h GLN 55 CO 0.00 -0.32 0.00 0.34 -0.95 0.00 0.00 178.83 177.90 1ab7 n PHE 56 N -4.67 0.00 0.13 2.96 7.35 -1.26 -4.61 117.46 117.35 1ab7 n PHE 56 Ca -0.06 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.50 1ab7 n PHE 56 Cb 0.20 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 39.95 1ab7 n PHE 56 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1ab7 h GLU 57 N 0.00 -0.33 0.14 -4.13 4.39 -1.98 -1.83 114.58 110.83 1ab7 h GLU 57 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1ab7 h GLU 57 Cb 0.00 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1ab7 h GLU 57 CO 0.00 0.00 -0.14 -0.56 -1.16 0.00 0.00 179.01 177.16 1ab7 h GLN 58 N -0.70 -0.29 0.00 2.33 -0.00 -1.97 0.19 115.11 114.66 1ab7 h GLN 58 Ca -0.03 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1ab7 h GLN 58 Cb 0.48 0.07 0.00 0.00 -0.00 0.00 0.00 27.48 28.03 1ab7 h GLN 58 CO 0.06 -0.19 0.00 1.03 -0.00 0.00 0.00 178.83 179.73 1ab7 h SER 59 N -0.30 0.00 0.90 0.06 0.87 -1.89 -0.85 113.55 112.34 1ab7 h SER 59 Ca 0.00 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 1ab7 h SER 59 Cb 0.29 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1ab7 h SER 59 CO -0.04 0.00 -1.17 0.50 -0.53 0.00 0.00 176.83 175.59 1ab7 h LYS 60 N 0.00 0.00 0.00 2.24 3.64 -0.08 -3.38 116.57 118.99 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 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1ab7 h LYS 60 CO 0.00 0.70 -0.02 0.37 -2.27 0.00 0.00 179.45 178.23 1ab7 h GLN 61 N 0.00 0.00 -0.82 1.90 5.75 -0.61 -3.12 115.11 118.21 1ab7 h GLN 61 Ca -0.10 0.00 0.24 0.00 -0.15 0.00 0.00 58.65 58.63 1ab7 h GLN 61 Cb 1.76 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 30.28 1ab7 h GLN 61 CO 0.10 0.00 1.10 1.47 -2.65 0.00 0.00 178.83 178.85 1ab7 n LEU 62 N -4.20 0.00 0.00 -2.39 -0.00 -1.17 -3.74 117.00 105.50 1ab7 n LEU 62 Ca -0.00 0.67 0.00 0.00 -0.00 0.00 0.00 56.01 56.67 1ab7 n LEU 62 Cb 0.01 -0.20 0.00 0.00 -0.00 0.00 0.00 43.42 43.23 1ab7 n LEU 62 CO 0.00 -0.67 0.00 1.07 -0.00 0.00 0.00 177.39 177.80 1ab7 n THR 63 N -2.98 0.00 0.00 1.47 5.66 -1.25 -4.83 114.28 112.34 1ab7 n THR 63 Ca 0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.18 1ab7 n THR 63 Cb 1.35 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.13 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 -0.68 1.09 0.28 -1.21 -4.91 120.64 115.22 1ab7 n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ab7 n GLU 64 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ab7 n GLU 64 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1ab7 n ASN 65 N 0.00 -1.49 0.14 -1.84 4.13 -1.18 -4.95 115.26 110.06 1ab7 n ASN 65 Ca 0.00 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.13 1ab7 n ASN 65 Cb 0.00 -0.25 -0.07 0.00 -1.54 0.00 0.00 39.78 37.92 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1ab7 h GLY 66 N 0.00 -0.31 0.86 7.41 0.00 -1.87 -0.44 103.07 108.72 1ab7 h GLY 66 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 1ab7 h GLY 66 CO 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 176.54 176.44 1ab7 h ALA 67 N 0.49 0.34 0.00 3.60 0.00 -1.87 -2.19 119.26 119.63 1ab7 h ALA 67 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ab7 h ALA 67 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ab7 h ALA 67 CO 0.01 0.04 0.04 1.49 0.00 0.00 0.00 179.25 180.83 1ab7 h GLU 68 N 0.23 0.00 0.00 0.00 4.22 -1.84 -1.18 114.58 116.01 1ab7 h GLU 68 Ca 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.49 1ab7 h GLU 68 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1ab7 h GLU 68 CO 0.01 0.00 -0.31 0.66 -2.18 0.00 0.00 179.01 177.19 1ab7 h SER 69 N 0.00 0.00 -0.91 1.04 4.64 -0.46 -0.34 113.55 117.53 1ab7 h SER 69 Ca 0.00 -0.24 0.24 0.00 -0.47 0.00 0.00 61.79 61.32 1ab7 h SER 69 Cb 0.08 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.12 1ab7 h SER 69 CO 0.00 0.79 0.63 0.58 -0.87 0.00 0.00 176.83 177.96 1ab7 h VAL 70 N -1.00 0.59 -0.11 0.95 2.07 -1.24 0.66 116.25 118.17 1ab7 h VAL 70 Ca -0.05 -0.05 -0.17 0.00 0.82 0.00 0.00 66.70 67.26 1ab7 h VAL 70 Cb 0.49 0.42 0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1ab7 h VAL 70 CO -0.03 0.03 -0.59 0.25 0.02 0.00 0.00 177.57 177.25 1ab7 h LEU 71 N 0.15 0.70 -1.67 2.57 5.85 -1.27 0.10 115.31 121.74 1ab7 h LEU 71 Ca 0.45 -0.65 0.25 0.00 0.84 0.00 0.00 57.88 58.77 1ab7 h LEU 71 Cb 1.53 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.29 1ab7 h LEU 71 CO -0.08 1.24 0.65 1.56 -0.34 0.00 0.00 178.44 181.47 1ab7 h GLN 72 N 0.21 0.24 0.08 1.25 4.20 0.21 0.57 115.11 121.88 1ab7 h GLN 72 Ca -0.04 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.49 1ab7 h GLN 72 Cb 1.23 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1ab7 h GLN 72 CO 0.12 0.16 -0.78 0.28 -0.67 0.00 0.00 178.83 177.94 1ab7 h VAL 73 N 0.24 1.42 0.03 -0.54 2.07 -1.01 -1.05 116.25 117.41 1ab7 h VAL 73 Ca 0.49 -2.42 0.03 0.00 0.82 0.00 0.00 66.70 65.62 1ab7 h VAL 73 Cb 1.50 3.05 -0.05 0.00 -1.52 0.00 0.00 31.29 34.28 1ab7 h VAL 73 CO -0.14 0.65 -0.29 -0.26 0.02 0.00 0.00 177.57 177.55 1ab7 h PHE 74 N -0.58 -0.79 -0.72 1.57 0.04 0.44 0.33 116.94 117.23 1ab7 h PHE 74 Ca -0.16 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.63 1ab7 h PHE 74 Cb 1.47 0.35 -0.04 0.00 2.20 0.00 0.00 35.95 39.93 1ab7 h PHE 74 CO 0.19 -0.39 0.46 0.00 -0.60 0.00 0.00 178.31 177.97 1ab7 h ARG 75 N -0.45 0.96 -0.06 1.51 3.08 -1.08 0.80 114.38 119.14 1ab7 h ARG 75 Ca 0.06 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1ab7 h ARG 75 Cb 0.53 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1ab7 h ARG 75 CO -0.23 0.66 0.11 0.93 -1.07 0.00 0.00 179.97 180.37 1ab7 h GLU 76 N 0.98 0.00 0.00 0.04 5.08 0.31 0.17 114.58 121.16 1ab7 h GLU 76 Ca 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1ab7 h GLU 76 Cb -0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1ab7 h GLU 76 CO -0.05 0.00 -0.09 0.00 -1.00 0.00 0.00 179.01 177.87 1ab7 h ALA 77 N 1.84 0.01 0.00 3.43 0.00 0.19 -1.11 119.26 123.63 1ab7 h ALA 77 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ab7 h ALA 77 Cb 0.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ab7 h ALA 77 CO -0.00 0.06 0.00 0.36 0.00 0.00 0.00 179.25 179.67 1ab7 n LYS 78 N -4.68 0.11 -0.00 0.00 -0.00 -0.56 0.11 118.16 113.13 1ab7 n LYS 78 Ca -0.06 0.53 -0.00 0.00 -0.00 0.00 0.00 58.31 58.78 1ab7 n LYS 78 Cb 0.25 -1.80 -0.00 0.00 -0.00 0.00 0.00 35.03 33.48 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 -1.69 0.00 -0.08 0.58 0.00 0.55 -4.58 120.51 115.28 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 0.08 0.00 -0.09 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 -0.01 -0.43 0.00 0.00 4.39 -1.19 -3.44 114.58 113.91 1ab7 h GLU 80 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1ab7 h GLU 80 Cb 0.00 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1ab7 h GLU 80 CO 0.00 -0.29 0.00 0.41 -1.16 0.00 0.00 179.01 177.97 1ab7 n GLY 81 N -1.38 0.21 3.20 -3.84 0.00 -0.88 -5.09 105.19 97.41 1ab7 n GLY 81 Ca -0.04 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1ab7 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab7 n ALA 82 N -1.17 -3.68 -2.59 4.61 0.00 0.30 -4.85 120.51 113.13 1ab7 n ALA 82 Ca 0.00 -0.29 -0.34 0.00 0.00 0.00 0.00 53.44 52.82 1ab7 n ALA 82 Cb 0.00 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 2.45 5.95 -4.93 0.00 9.92 -1.26 -3.78 116.55 124.90 1ab7 n ASP 83 Ca 0.05 -3.72 -0.26 0.00 -0.53 0.00 0.00 54.79 50.33 1ab7 n ASP 83 Cb 0.50 -0.82 -0.02 0.00 -0.64 0.00 0.00 41.12 40.14 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 -4.72 5.11 -0.60 0.53 1.01 -1.26 -1.07 121.20 120.19 1ab7 s ILE 84 Ca 0.46 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.80 1ab7 s ILE 84 Cb 0.30 -3.79 0.16 0.00 0.01 0.00 0.00 42.46 39.14 1ab7 s ILE 84 CO -0.19 -0.38 0.42 -0.89 0.00 0.00 0.00 174.94 173.90 1ab7 s THR 85 N -2.12 3.74 -0.63 2.92 2.01 0.13 -4.68 115.64 117.02 1ab7 s THR 85 Ca 0.41 -2.81 -0.27 0.00 0.31 0.00 0.00 61.69 59.33 1ab7 s THR 85 Cb -0.10 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 68.97 1ab7 s THR 85 CO 0.32 -0.86 1.44 -0.63 -0.69 0.00 0.00 174.62 174.20 1ab7 s ILE 86 N 0.12 3.70 -0.00 1.82 1.09 -1.26 0.11 121.20 126.78 1ab7 s ILE 86 Ca 0.16 0.52 -0.03 0.00 -1.10 0.00 0.00 60.65 60.19 1ab7 s ILE 86 Cb -0.20 -4.52 -0.04 0.00 -1.06 0.00 0.00 42.46 36.64 1ab7 s ILE 86 CO -0.04 -1.35 0.19 -0.63 -0.10 0.00 0.00 174.94 173.02 1ab7 s ILE 87 N 6.42 5.42 -0.43 2.92 1.01 -0.56 -4.94 121.20 131.05 1ab7 s ILE 87 Ca 0.49 -0.13 0.06 0.00 0.00 0.00 0.00 60.65 61.07 1ab7 s ILE 87 Cb -0.10 -3.55 0.21 0.00 0.01 0.00 0.00 42.46 39.03 1ab7 s ILE 87 CO 0.21 0.32 0.52 0.18 0.00 0.00 0.00 174.94 176.17 1ab7 n LEU 88 N 0.94 -1.00 0.00 2.97 4.77 -1.26 -1.56 117.00 121.86 1ab7 n LEU 88 Ca -0.11 -4.14 0.00 0.00 -0.03 0.00 0.00 56.01 51.74 1ab7 n LEU 88 Cb 0.53 0.64 0.00 0.00 -2.33 0.00 0.00 43.42 42.26 1ab7 n LEU 88 CO 0.44 1.96 0.00 -0.24 -1.33 0.00 0.00 177.39 178.21