#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 1.32 0.06 1.64 2.47 -1.26 -0.38 119.74 123.59 1ab7 s LYS 2 Ca 0.00 -1.27 -0.21 0.00 -1.56 0.00 0.00 55.97 52.93 1ab7 s LYS 2 Cb 0.00 -2.60 -0.06 0.00 -1.46 0.00 0.00 37.83 33.70 1ab7 s LYS 2 CO 0.00 -0.81 0.61 0.00 0.16 0.00 0.00 175.35 175.32 1ab7 s ALA 3 N 1.31 3.53 -0.16 3.13 0.00 0.18 -4.87 121.76 124.88 1ab7 s ALA 3 Ca 0.03 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 1ab7 s ALA 3 Cb -0.18 -2.73 0.04 0.00 0.00 0.00 0.00 23.12 20.25 1ab7 s ALA 3 CO -0.12 0.30 -0.03 0.08 0.00 0.00 0.00 175.76 175.98 1ab7 s VAL 4 N -0.77 0.94 -0.06 0.00 1.01 -1.26 -0.23 120.40 120.04 1ab7 s VAL 4 Ca 0.31 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 1ab7 s VAL 4 Cb -0.20 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 1ab7 s VAL 4 CO 0.19 0.09 0.47 -0.63 0.00 0.00 0.00 175.10 175.22 1ab7 s ILE 5 N 1.70 5.08 -0.20 2.22 -1.09 -0.29 -4.90 121.20 123.72 1ab7 s ILE 5 Ca 0.01 0.95 0.01 0.00 -2.23 0.00 0.00 60.65 59.39 1ab7 s ILE 5 Cb -0.15 -3.79 0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1ab7 s ILE 5 CO -0.07 0.43 -0.13 0.20 -1.23 0.00 0.00 174.94 174.13 1ab7 s ASN 6 N -0.12 3.52 0.00 3.58 0.01 -1.26 -0.11 114.94 120.56 1ab7 s ASN 6 Ca 0.26 -0.91 0.28 0.00 -0.71 0.00 0.00 52.86 51.78 1ab7 s ASN 6 Cb -0.16 -1.37 1.70 0.00 0.41 0.00 0.00 41.25 41.82 1ab7 s ASN 6 CO 0.12 -0.11 2.08 0.61 -1.51 0.00 0.00 177.10 178.30 1ab7 n GLY 7 N 4.61 -0.99 0.07 0.66 0.00 -1.18 -1.02 105.19 107.34 1ab7 n GLY 7 Ca -0.16 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 1ab7 n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ab7 n GLU 8 N -0.95 1.18 -0.02 1.61 0.28 -1.26 -4.46 120.64 117.03 1ab7 n GLU 8 Ca 0.21 -0.04 0.09 0.00 -0.16 0.00 0.00 57.16 57.27 1ab7 n GLU 8 Cb 0.10 -1.42 -0.17 0.00 1.43 0.00 0.00 31.44 31.38 1ab7 n GLU 8 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1ab7 n GLN 9 N -2.51 0.65 -2.66 3.44 7.27 -1.18 -4.77 117.38 117.63 1ab7 n GLN 9 Ca -0.22 -0.18 -0.42 0.00 0.07 0.00 0.00 57.00 56.25 1ab7 n GLN 9 Cb 0.92 -1.51 -0.03 0.00 2.41 0.00 0.00 30.24 32.03 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 -3.42 4.00 0.14 1.69 -1.09 -0.19 -4.85 121.20 117.49 1ab7 s ILE 10 Ca -0.08 -0.20 -0.17 0.00 -2.23 0.00 0.00 60.65 57.96 1ab7 s ILE 10 Cb 0.13 -4.88 -0.01 0.00 -1.58 0.00 0.00 42.46 36.12 1ab7 s ILE 10 CO 0.89 -1.75 1.80 0.03 -1.23 0.00 0.00 174.94 174.68 1ab7 h ARG 11 N 9.76 0.46 -3.95 2.79 3.08 -1.88 -3.45 114.38 121.20 1ab7 h ARG 11 Ca -0.14 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.67 1ab7 h ARG 11 Cb 1.04 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.91 1ab7 h ARG 11 CO 1.27 0.32 -0.16 -1.12 -1.07 0.00 0.00 179.97 179.21 1ab7 s SER 12 N -5.53 0.58 0.65 7.04 0.01 -1.26 -4.91 113.70 110.28 1ab7 s SER 12 Ca -0.13 -1.33 0.28 0.00 1.31 0.00 0.00 55.95 56.07 1ab7 s SER 12 Cb 0.10 0.65 1.48 0.00 0.21 0.00 0.00 66.02 68.46 1ab7 s SER 12 CO 0.72 -1.27 1.84 -0.29 0.41 0.00 0.00 173.24 174.65 1ab7 h ILE 13 N 2.16 0.07 -0.35 1.44 6.09 -1.89 0.58 117.51 125.62 1ab7 h ILE 13 Ca -0.28 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.24 1ab7 h ILE 13 Cb 1.24 0.60 -0.04 0.00 0.47 0.00 0.00 36.82 39.10 1ab7 h ILE 13 CO 0.39 0.00 0.12 -1.28 -3.07 0.00 0.00 178.15 174.31 1ab7 h SER 14 N 0.00 0.14 1.10 2.19 0.87 -1.97 0.07 113.55 115.95 1ab7 h SER 14 Ca 0.05 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 1ab7 h SER 14 Cb 0.88 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.85 1ab7 h SER 14 CO -0.00 0.12 -0.22 0.44 -0.53 0.00 0.00 176.83 176.63 1ab7 h ASP 15 N 0.27 0.00 -0.06 6.23 3.32 -1.26 -3.03 116.42 121.89 1ab7 h ASP 15 Ca 0.16 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1ab7 h ASP 15 Cb 0.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1ab7 h ASP 15 CO -0.16 0.22 0.03 0.25 -1.72 0.00 0.00 179.24 177.87 1ab7 h LEU 16 N 0.00 0.07 -2.02 1.55 5.85 -0.77 -0.37 115.31 119.61 1ab7 h LEU 16 Ca -0.00 -0.05 0.14 0.00 0.84 0.00 0.00 57.88 58.81 1ab7 h LEU 16 Cb 0.84 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1ab7 h LEU 16 CO 0.03 0.10 0.37 0.45 -0.34 0.00 0.00 178.44 179.05 1ab7 h HIS 17 N 0.03 0.00 0.01 1.25 3.86 -1.13 0.15 115.15 119.32 1ab7 h HIS 17 Ca 0.02 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.01 1ab7 h HIS 17 Cb 0.04 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 1ab7 h HIS 17 CO -0.06 0.00 -1.05 1.96 0.86 0.00 0.00 177.93 179.64 1ab7 h GLN 18 N 0.00 0.02 -0.11 2.45 4.20 -1.23 0.49 115.11 120.93 1ab7 h GLN 18 Ca 0.23 -0.03 -0.21 0.00 0.06 0.00 0.00 58.65 58.70 1ab7 h GLN 18 Cb 0.98 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.77 1ab7 h GLN 18 CO -0.00 0.99 -0.79 1.15 -0.67 0.00 0.00 178.83 179.51 1ab7 h THR 19 N 0.00 1.32 0.13 -0.54 2.02 0.82 0.45 112.91 117.11 1ab7 h THR 19 Ca -0.03 -2.07 -0.28 0.00 0.77 0.00 0.00 66.41 64.80 1ab7 h THR 19 Cb 1.80 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 70.28 1ab7 h THR 19 CO 0.13 0.64 -1.30 -0.07 0.37 0.00 0.00 175.52 175.30 1ab7 h LEU 20 N 0.43 0.43 -0.94 2.58 3.38 -1.31 -1.52 115.31 118.36 1ab7 h LEU 20 Ca -0.05 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1ab7 h LEU 20 Cb 1.40 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 1ab7 h LEU 20 CO 0.15 1.38 -0.10 0.50 0.09 0.00 0.00 178.44 180.46 1ab7 h LYS 21 N 0.07 0.00 0.11 1.13 3.64 -0.86 0.16 116.57 120.83 1ab7 h LYS 21 Ca -0.15 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.98 1ab7 h LYS 21 Cb 1.99 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.81 1ab7 h LYS 21 CO 0.20 0.10 -1.21 -0.22 -2.27 0.00 0.00 179.45 176.05 1ab7 h LYS 22 N 0.00 0.23 0.02 1.90 3.64 -0.00 -1.91 116.57 120.45 1ab7 h LYS 22 Ca -0.00 -0.39 -0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1ab7 h LYS 22 Cb 0.75 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1ab7 h LYS 22 CO 0.01 1.19 -0.01 0.93 -2.27 0.00 0.00 179.45 179.30 1ab7 h GLU 23 N -0.40 -0.02 0.00 1.90 4.39 -1.25 -3.29 114.58 115.91 1ab7 h GLU 23 Ca -0.26 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.39 1ab7 h GLU 23 Cb 1.67 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.31 1ab7 h GLU 23 CO 0.06 0.52 -0.25 -0.07 -1.16 0.00 0.00 179.01 178.11 1ab7 h LEU 24 N -0.98 0.00 -2.20 1.33 3.38 -0.88 -3.47 115.31 112.49 1ab7 h LEU 24 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1ab7 h LEU 24 Cb 0.56 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.36 1ab7 h LEU 24 CO 0.00 0.25 -0.22 0.00 0.09 0.00 0.00 178.44 178.56 1ab7 n ALA 25 N -2.46 -0.70 -2.18 1.53 0.00 -0.76 -4.75 120.51 111.18 1ab7 n ALA 25 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.15 1ab7 n ALA 25 Cb 0.31 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.33 3.44 0.00 0.00 1.43 -0.92 -5.01 118.68 114.29 1ab7 s LEU 26 Ca 0.04 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 1ab7 s LEU 26 Cb -0.01 -3.72 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1ab7 s LEU 26 CO 0.20 -0.80 0.00 -0.81 0.23 0.00 0.00 176.35 175.17 1ab7 n PRO 27 N -2.41 0.33 -0.06 1.29 -0.04 -1.26 -4.90 135.00 127.94 1ab7 n PRO 27 Ca 0.02 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.39 1ab7 n PRO 27 Cb 0.56 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.00 0.00 0.54 4.57 -2.01 -3.25 114.58 114.43 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 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1ab7 h GLU 28 CO 0.00 0.68 0.11 0.10 -1.18 0.00 0.00 179.01 178.72 1ab7 h TYR 29 N -1.00 0.00 -1.31 0.92 -0.00 -2.06 -3.44 116.97 110.08 1ab7 h TYR 29 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 58.73 58.12 1ab7 h TYR 29 Cb 0.69 0.00 0.13 0.00 0.00 0.00 0.00 36.73 37.55 1ab7 h TYR 29 CO 0.19 0.00 -0.73 0.98 -0.00 0.00 0.00 178.16 178.60 1ab7 n TYR 30 N -2.28 -1.34 -4.15 0.10 9.36 -1.23 -4.94 117.16 112.68 1ab7 n TYR 30 Ca -0.01 0.73 -0.30 0.00 3.32 0.00 0.00 57.90 61.64 1ab7 n TYR 30 Cb 0.14 -1.75 -0.08 0.00 -0.63 0.00 0.00 39.34 37.02 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 -0.95 1.87 -0.11 2.98 0.00 -1.26 -5.00 107.32 104.86 1ab7 s GLY 31 Ca 0.58 -1.17 0.09 0.00 0.00 0.00 0.00 44.72 44.21 1ab7 s GLY 31 CO 0.57 -1.16 1.23 -1.84 0.00 0.00 0.00 173.10 171.90 1ab7 n GLU 32 N 0.49 3.02 -3.67 2.90 0.00 -1.26 -3.73 120.64 118.38 1ab7 n GLU 32 Ca -0.11 -1.75 -0.21 0.00 0.00 0.00 0.00 57.16 55.09 1ab7 n GLU 32 Cb 0.52 -1.84 -0.03 0.00 0.00 0.00 0.00 31.44 30.09 1ab7 n GLU 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1ab7 s ASN 33 N -0.53 5.32 0.00 -1.84 4.22 -1.26 -4.62 114.94 116.22 1ab7 s ASN 33 Ca 0.31 -0.52 0.06 0.00 -2.14 0.00 0.00 52.86 50.56 1ab7 s ASN 33 Cb 0.22 -0.88 0.27 0.00 1.28 0.00 0.00 41.25 42.14 1ab7 s ASN 33 CO 0.11 -0.46 1.14 0.00 -2.04 0.00 0.00 177.10 175.85 1ab7 n LEU 34 N -1.47 0.00 -0.06 3.54 -0.00 -1.26 -1.44 117.00 116.31 1ab7 n LEU 34 Ca 0.00 0.43 -0.05 0.00 -0.00 0.00 0.00 56.01 56.39 1ab7 n LEU 34 Cb 0.60 -0.43 -0.04 0.00 -0.00 0.00 0.00 43.42 43.55 1ab7 n LEU 34 CO 0.42 -0.34 0.04 -2.24 -0.00 0.00 0.00 177.39 175.27 1ab7 h ASP 35 N 0.00 0.00 -0.15 1.45 2.03 -1.93 -2.32 116.42 115.51 1ab7 h ASP 35 Ca 0.00 -0.29 -0.20 0.00 -0.73 0.00 0.00 57.03 55.81 1ab7 h ASP 35 Cb 0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1ab7 h ASP 35 CO 0.00 0.71 -0.67 0.00 -1.03 0.00 0.00 179.24 178.25 1ab7 h ALA 36 N -0.71 0.43 0.44 4.15 0.00 -1.78 -0.07 119.26 121.72 1ab7 h ALA 36 Ca -0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1ab7 h ALA 36 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ab7 h ALA 36 CO -0.01 0.69 -0.21 1.25 0.00 0.00 0.00 179.25 180.97 1ab7 h LEU 37 N 0.56 -0.50 -0.89 0.00 5.85 -1.33 0.14 115.31 119.15 1ab7 h LEU 37 Ca -0.02 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.71 1ab7 h LEU 37 Cb 1.28 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.36 1ab7 h LEU 37 CO 0.14 -0.18 0.53 -0.25 -0.34 0.00 0.00 178.44 178.33 1ab7 h TRP 38 N -0.82 0.97 -0.36 1.25 2.91 -1.46 0.58 115.95 119.02 1ab7 h TRP 38 Ca -0.06 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.03 1ab7 h TRP 38 Cb 0.55 -0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 28.88 1ab7 h TRP 38 CO 0.00 0.41 0.24 -0.44 -1.03 0.00 0.00 178.44 177.63 1ab7 h ASP 39 N 0.89 0.29 0.00 2.65 5.19 -0.63 -2.14 116.42 122.68 1ab7 h ASP 39 Ca 0.42 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 1ab7 h ASP 39 Cb 0.36 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1ab7 h ASP 39 CO -0.24 0.20 -0.01 0.00 -3.12 0.00 0.00 179.24 176.08 1ab7 h ALA 40 N 1.80 0.00 -0.51 3.45 0.00 0.28 -3.27 119.26 121.01 1ab7 h ALA 40 Ca 0.15 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1ab7 h ALA 40 Cb 0.17 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1ab7 h ALA 40 CO -0.03 0.01 -0.30 1.28 0.00 0.00 0.00 179.25 180.20 1ab7 n LEU 41 N -2.24 -0.54 -2.58 0.00 4.77 0.74 0.26 117.00 117.41 1ab7 n LEU 41 Ca -0.00 1.18 -0.25 0.00 -0.03 0.00 0.00 56.01 56.91 1ab7 n LEU 41 Cb 0.00 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 40.75 1ab7 n LEU 41 CO 0.00 -0.88 1.95 1.07 -1.33 0.00 0.00 177.39 178.21 1ab7 n THR 42 N -4.21 3.63 0.00 -5.08 5.66 -0.81 -3.58 114.28 109.90 1ab7 n THR 42 Ca 0.01 -2.63 0.00 0.00 -3.05 0.00 0.00 64.05 58.38 1ab7 n THR 42 Cb 0.13 -1.94 0.00 0.00 -1.55 0.00 0.00 70.33 66.98 1ab7 n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ab7 n GLY 43 N 1.91 0.00 0.18 1.09 0.00 0.26 -4.87 105.19 103.75 1ab7 n GLY 43 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.22 -1.58 1.61 -0.00 0.71 -4.64 117.44 113.32 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 0.04 0.13 0.00 -0.00 0.00 0.00 31.31 31.48 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 -1.26 2.08 -0.18 5.87 1.01 -0.92 -4.94 120.40 122.05 1ab7 s VAL 45 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1ab7 s VAL 45 Cb 0.00 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.60 1ab7 s VAL 45 CO 0.00 -0.03 -0.18 -1.61 0.00 0.00 0.00 175.10 173.28 1ab7 s GLU 46 N -5.30 2.74 0.33 2.72 2.02 -1.26 -4.95 118.70 114.99 1ab7 s GLU 46 Ca 0.63 -0.81 0.04 0.00 0.02 0.00 0.00 54.97 54.85 1ab7 s GLU 46 Cb -0.14 -2.49 -0.02 0.00 0.10 0.00 0.00 34.13 31.58 1ab7 s GLU 46 CO 0.53 -0.25 0.49 0.71 0.02 0.00 0.00 175.26 176.75 1ab7 s TYR 47 N 1.32 3.33 0.30 1.61 2.02 -1.26 -1.18 117.35 123.49 1ab7 s TYR 47 Ca 0.04 0.06 -0.29 0.00 -0.37 0.00 0.00 57.07 56.50 1ab7 s TYR 47 Cb -0.14 -1.89 -0.10 0.00 -0.40 0.00 0.00 41.96 39.43 1ab7 s TYR 47 CO -0.12 0.10 1.22 -1.25 -1.57 0.00 0.00 175.55 173.93 1ab7 s PRO 48 N -4.21 4.48 0.28 -1.71 0.04 -1.26 -4.80 135.00 127.82 1ab7 s PRO 48 Ca 0.41 2.03 0.10 0.00 0.04 0.00 0.00 61.00 63.57 1ab7 s PRO 48 Cb -0.09 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 1ab7 s PRO 48 CO 0.33 -0.02 -0.00 -1.17 0.04 0.00 0.00 177.00 176.18 1ab7 s LEU 49 N -1.53 3.14 -0.31 -3.56 2.96 -0.38 -1.48 118.68 117.52 1ab7 s LEU 49 Ca 0.47 -0.72 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1ab7 s LEU 49 Cb -0.36 -1.64 0.09 0.00 0.50 0.00 0.00 46.19 44.78 1ab7 s LEU 49 CO 0.47 -0.05 0.04 -0.69 -1.32 0.00 0.00 176.35 174.80 1ab7 s VAL 50 N -2.37 1.65 -1.42 1.68 1.01 0.49 -0.10 120.40 121.35 1ab7 s VAL 50 Ca 0.32 -1.80 -0.10 0.00 0.00 0.00 0.00 61.98 60.40 1ab7 s VAL 50 Cb -0.05 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.23 1ab7 s VAL 50 CO 0.20 -0.53 2.33 -0.11 0.00 0.00 0.00 175.10 176.99 1ab7 n LEU 51 N 4.54 7.50 -4.57 3.92 7.94 0.26 0.49 117.00 137.08 1ab7 n LEU 51 Ca -0.01 -4.50 -0.17 0.00 -1.11 0.00 0.00 56.01 50.21 1ab7 n LEU 51 Cb 0.42 -1.52 -0.08 0.00 0.53 0.00 0.00 43.42 42.77 1ab7 n LEU 51 CO 0.18 1.61 1.22 -0.70 -1.11 0.00 0.00 177.39 178.58 1ab7 s GLU 52 N 1.23 1.67 -1.08 1.96 2.12 0.68 -1.73 118.70 123.55 1ab7 s GLU 52 Ca 0.51 -0.14 -0.21 0.00 0.36 0.00 0.00 54.97 55.49 1ab7 s GLU 52 Cb 0.15 -4.95 0.07 0.00 0.26 0.00 0.00 34.13 29.66 1ab7 s GLU 52 CO -0.06 -4.65 1.48 -0.46 -0.54 0.00 0.00 175.26 171.04 1ab7 s TRP 53 N 14.57 2.68 0.39 5.30 -0.11 -1.26 -1.13 118.94 139.38 1ab7 s TRP 53 Ca 0.83 -1.13 -0.27 0.00 1.22 0.00 0.00 56.10 56.75 1ab7 s TRP 53 Cb -0.08 -4.66 -0.09 0.00 -1.50 0.00 0.00 33.47 27.14 1ab7 s TRP 53 CO 0.11 -1.84 1.33 1.03 -4.62 0.00 0.00 176.95 172.96 1ab7 s ARG 54 N 4.45 4.07 -0.52 5.86 0.52 0.85 -1.77 118.95 132.39 1ab7 s ARG 54 Ca 0.46 2.23 -0.29 0.00 -0.52 0.00 0.00 55.73 57.62 1ab7 s ARG 54 Cb 0.00 -2.85 0.04 0.00 0.52 0.00 0.00 34.95 32.66 1ab7 s ARG 54 CO -0.05 -0.44 0.65 1.04 0.02 0.00 0.00 175.30 176.52 1ab7 n GLN 55 N 0.32 -1.90 0.03 3.54 1.13 -1.26 -3.12 117.38 116.12 1ab7 n GLN 55 Ca 0.02 1.39 0.14 0.00 -1.94 0.00 0.00 57.00 56.61 1ab7 n GLN 55 Cb 0.42 -2.60 0.54 0.00 0.11 0.00 0.00 30.24 28.72 1ab7 n GLN 55 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1ab7 n PHE 56 N -0.68 0.27 0.00 1.08 7.35 -1.25 -4.10 117.46 120.13 1ab7 n PHE 56 Ca -0.10 0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 1ab7 n PHE 56 Cb 0.66 -0.62 0.00 0.00 0.35 0.00 0.00 39.48 39.87 1ab7 n PHE 56 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1ab7 n GLU 57 N -1.72 0.00 -0.36 -4.13 0.00 -1.26 -4.56 120.64 108.60 1ab7 n GLU 57 Ca 0.06 0.27 -0.29 0.00 0.00 0.00 0.00 57.16 57.20 1ab7 n GLU 57 Cb 0.37 -1.08 0.28 0.00 0.00 0.00 0.00 31.44 31.00 1ab7 n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ab7 n GLN 58 N -1.30 -3.60 0.00 5.31 10.64 -1.26 -3.29 117.38 123.88 1ab7 n GLN 58 Ca 0.00 -1.05 0.00 0.00 -1.83 0.00 0.00 57.00 54.12 1ab7 n GLN 58 Cb 0.00 -2.04 0.00 0.00 -0.86 0.00 0.00 30.24 27.34 1ab7 n GLN 58 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1ab7 n SER 59 N -5.27 0.00 0.06 2.61 3.41 -1.26 -4.66 113.62 108.50 1ab7 n SER 59 Ca 0.07 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.62 1ab7 n SER 59 Cb 0.57 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.42 1ab7 n SER 59 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1ab7 h LYS 60 N 0.00 0.00 0.00 4.33 6.56 -1.79 -3.36 116.57 122.31 1ab7 h LYS 60 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1ab7 h LYS 60 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1ab7 h LYS 60 CO 0.00 0.83 -0.00 0.37 -2.06 0.00 0.00 179.45 178.59 1ab7 h GLN 61 N 0.00 0.00 -1.32 3.15 5.75 -1.83 -3.26 115.11 117.60 1ab7 h GLN 61 Ca -0.06 0.00 0.39 0.00 -0.15 0.00 0.00 58.65 58.83 1ab7 h GLN 61 Cb 1.75 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 30.24 1ab7 h GLN 61 CO 0.11 0.00 0.94 1.28 -2.65 0.00 0.00 178.83 178.51 1ab7 n LEU 62 N -2.44 0.02 0.00 -2.39 4.32 -1.26 -4.01 117.00 111.24 1ab7 n LEU 62 Ca -0.00 0.72 0.00 0.00 -0.02 0.00 0.00 56.01 56.71 1ab7 n LEU 62 Cb 0.00 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.44 1ab7 n LEU 62 CO 0.00 -0.73 0.00 1.07 -1.22 0.00 0.00 177.39 176.51 1ab7 n THR 63 N -3.42 0.00 -2.90 -5.08 5.66 -1.25 -4.96 114.28 102.34 1ab7 n THR 63 Ca 0.31 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.18 1ab7 n THR 63 Cb 1.36 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 70.17 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 0.91 -1.41 1.09 -0.00 -1.26 -4.90 120.64 115.08 1ab7 n GLU 64 Ca 0.00 -2.38 -0.03 0.00 -0.00 0.00 0.00 57.16 54.76 1ab7 n GLU 64 Cb 0.00 -1.31 -0.01 0.00 -0.00 0.00 0.00 31.44 30.12 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 0.79 -2.72 -0.03 -1.84 5.15 -1.23 -4.94 115.26 110.43 1ab7 n ASN 65 Ca 0.13 0.04 -0.15 0.00 -0.60 0.00 0.00 54.58 54.00 1ab7 n ASN 65 Cb 0.65 -1.03 -0.09 0.00 -0.53 0.00 0.00 39.78 38.79 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1ab7 h GLY 66 N 0.00 0.43 0.79 8.20 0.00 -1.88 -2.80 103.07 107.82 1ab7 h GLY 66 Ca -0.05 -0.59 -0.22 0.00 0.00 0.00 0.00 47.33 46.47 1ab7 h GLY 66 CO 0.07 0.53 -0.95 0.00 0.00 0.00 0.00 176.54 176.19 1ab7 h ALA 67 N 0.45 -0.10 -0.08 3.60 0.00 -1.86 -2.92 119.26 118.35 1ab7 h ALA 67 Ca -0.02 -0.73 0.02 0.00 0.00 0.00 0.00 54.91 54.18 1ab7 h ALA 67 Cb 1.00 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ab7 h ALA 67 CO 0.07 0.44 0.17 0.93 0.00 0.00 0.00 179.25 180.87 1ab7 h GLU 68 N -0.27 0.00 0.00 0.00 4.39 -1.90 -1.07 114.58 115.72 1ab7 h GLU 68 Ca -0.17 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.47 1ab7 h GLU 68 Cb 1.75 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.39 1ab7 h GLU 68 CO 0.18 0.00 -0.44 0.66 -1.16 0.00 0.00 179.01 178.25 1ab7 h SER 69 N 0.00 0.00 -0.79 1.42 4.64 -1.49 -0.89 113.55 116.44 1ab7 h SER 69 Ca 0.04 -0.40 0.23 0.00 -0.47 0.00 0.00 61.79 61.19 1ab7 h SER 69 Cb 0.38 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 1ab7 h SER 69 CO -0.00 0.94 0.66 0.58 -0.87 0.00 0.00 176.83 178.14 1ab7 h VAL 70 N -1.00 0.42 0.14 0.95 2.07 -1.27 0.36 116.25 117.91 1ab7 h VAL 70 Ca -0.09 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.24 1ab7 h VAL 70 Cb 0.72 0.52 0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1ab7 h VAL 70 CO -0.05 0.00 -0.86 0.25 0.02 0.00 0.00 177.57 176.92 1ab7 h LEU 71 N 0.00 0.46 -1.97 2.57 5.85 -1.25 -0.15 115.31 120.82 1ab7 h LEU 71 Ca 0.37 -0.94 0.23 0.00 0.84 0.00 0.00 57.88 58.38 1ab7 h LEU 71 Cb 1.68 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.53 1ab7 h LEU 71 CO -0.00 1.41 0.57 1.56 -0.34 0.00 0.00 178.44 181.64 1ab7 h GLN 72 N -0.37 0.03 0.11 1.25 4.20 0.11 -0.50 115.11 119.94 1ab7 h GLN 72 Ca -0.16 -0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.32 1ab7 h GLN 72 Cb 1.65 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.43 1ab7 h GLN 72 CO 0.14 0.02 -1.15 0.28 -0.67 0.00 0.00 178.83 177.45 1ab7 h VAL 73 N 0.03 1.21 -0.20 -0.54 2.07 -1.23 -1.16 116.25 116.42 1ab7 h VAL 73 Ca 0.38 -2.42 0.06 0.00 0.82 0.00 0.00 66.70 65.54 1ab7 h VAL 73 Cb 1.50 2.86 -0.06 0.00 -1.52 0.00 0.00 31.29 34.06 1ab7 h VAL 73 CO -0.02 0.67 -0.21 -0.26 0.02 0.00 0.00 177.57 177.78 1ab7 h PHE 74 N -0.41 -0.54 -0.52 1.57 0.04 0.31 0.65 116.94 118.03 1ab7 h PHE 74 Ca -0.24 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.54 1ab7 h PHE 74 Cb 1.65 0.27 -0.02 0.00 2.20 0.00 0.00 35.95 40.05 1ab7 h PHE 74 CO 0.15 -0.28 0.24 0.00 -0.60 0.00 0.00 178.31 177.82 1ab7 h ARG 75 N -0.23 0.76 -0.92 1.51 3.08 -1.28 -1.23 114.38 116.08 1ab7 h ARG 75 Ca 0.12 -0.12 0.25 0.00 0.07 0.00 0.00 59.98 60.30 1ab7 h ARG 75 Cb 0.41 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 1ab7 h ARG 75 CO -0.34 0.64 0.64 0.93 -1.07 0.00 0.00 179.97 180.78 1ab7 h GLU 76 N 0.70 0.14 0.16 0.04 4.39 0.28 0.78 114.58 121.07 1ab7 h GLU 76 Ca 0.18 -0.01 -0.21 0.00 0.34 0.00 0.00 59.36 59.65 1ab7 h GLU 76 Cb 0.14 -0.03 0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1ab7 h GLU 76 CO -0.02 0.10 -0.95 0.00 -1.16 0.00 0.00 179.01 176.98 1ab7 h ALA 77 N 1.57 -0.10 -0.46 3.43 0.00 0.00 -1.67 119.26 122.04 1ab7 h ALA 77 Ca 0.46 -0.74 -0.47 0.00 0.00 0.00 0.00 54.91 54.16 1ab7 h ALA 77 Cb 1.56 0.13 -0.16 0.00 0.00 0.00 0.00 17.79 19.32 1ab7 h ALA 77 CO -0.08 0.45 0.38 1.17 0.00 0.00 0.00 179.25 181.17 1ab7 n LYS 78 N -4.05 2.44 0.00 0.00 3.00 0.18 0.19 118.16 119.92 1ab7 n LYS 78 Ca -0.15 -2.20 0.00 0.00 -0.00 0.00 0.00 58.31 55.96 1ab7 n LYS 78 Cb 0.87 -2.15 0.00 0.00 0.00 0.00 0.00 35.03 33.76 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 1.16 0.36 -0.07 3.14 0.00 -0.66 -4.89 120.51 119.55 1ab7 n ALA 79 Ca 0.49 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.75 1ab7 n ALA 79 Cb 0.59 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.91 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 0.04 0.00 0.00 4.39 -1.34 -3.48 114.58 114.19 1ab7 h GLU 80 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1ab7 h GLU 80 Cb 0.00 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1ab7 h GLU 80 CO 0.00 1.03 0.00 0.41 -1.16 0.00 0.00 179.01 179.29 1ab7 n GLY 81 N 1.56 0.24 3.30 -3.84 0.00 -1.05 -5.09 105.19 100.31 1ab7 n GLY 81 Ca -0.19 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.21 -2.66 -2.79 4.61 0.00 0.50 -4.86 120.51 114.10 1ab7 n ALA 82 Ca 0.00 -0.13 -0.36 0.00 0.00 0.00 0.00 53.44 52.95 1ab7 n ALA 82 Cb 0.00 -1.54 -0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 1.76 6.23 -4.90 0.00 9.92 -1.26 -3.87 116.55 124.43 1ab7 n ASP 83 Ca 0.08 -3.66 -0.22 0.00 -0.53 0.00 0.00 54.79 50.46 1ab7 n ASP 83 Cb 0.48 -0.96 -0.03 0.00 -0.64 0.00 0.00 41.12 39.97 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 -4.20 4.89 -0.45 0.53 1.01 -1.26 -1.25 121.20 120.47 1ab7 s ILE 84 Ca 0.42 -1.17 0.04 0.00 0.00 0.00 0.00 60.65 59.94 1ab7 s ILE 84 Cb 0.21 -3.65 0.12 0.00 0.01 0.00 0.00 42.46 39.15 1ab7 s ILE 84 CO -0.11 -0.33 0.19 -0.89 0.00 0.00 0.00 174.94 173.80 1ab7 s THR 85 N -2.04 2.38 -0.21 2.92 2.01 0.85 -4.68 115.64 116.88 1ab7 s THR 85 Ca 0.33 -2.93 -0.29 0.00 0.31 0.00 0.00 61.69 59.11 1ab7 s THR 85 Cb -0.09 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 1ab7 s THR 85 CO 0.27 -0.74 1.23 -0.63 -0.69 0.00 0.00 174.62 174.06 1ab7 s ILE 86 N 0.16 4.32 -0.10 1.82 1.09 -1.26 -0.57 121.20 126.65 1ab7 s ILE 86 Ca 0.15 1.57 -0.02 0.00 -1.10 0.00 0.00 60.65 61.25 1ab7 s ILE 86 Cb -0.24 -4.09 -0.01 0.00 -1.06 0.00 0.00 42.46 37.07 1ab7 s ILE 86 CO -0.03 -0.22 -0.04 0.40 -0.10 0.00 0.00 174.94 174.94 1ab7 h ILE 87 N 5.59 0.00 -4.66 2.92 5.03 -1.69 -3.48 117.51 121.21 1ab7 h ILE 87 Ca -0.25 -0.89 -0.28 0.00 -0.12 0.00 0.00 64.86 63.31 1ab7 h ILE 87 Cb 1.09 0.00 0.11 0.00 -3.03 0.00 0.00 36.82 35.00 1ab7 h ILE 87 CO 0.99 0.00 -0.53 0.18 -0.68 0.00 0.00 178.15 178.10 1ab7 n LEU 88 N -4.45 -3.22 0.00 1.44 4.77 -1.25 -4.86 117.00 109.43 1ab7 n LEU 88 Ca -0.02 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1ab7 n LEU 88 Cb 0.07 -2.42 0.00 0.00 -2.33 0.00 0.00 43.42 38.73 1ab7 n LEU 88 CO 0.03 0.42 0.00 -0.24 -1.33 0.00 0.00 177.39 176.27