#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 -0.02 1.64 2.20 -1.26 -0.19 119.74 123.11 1ab7 s LYS 2 Ca 0.00 -1.05 -0.12 0.00 -0.36 0.00 0.00 55.97 54.44 1ab7 s LYS 2 Cb 0.00 -2.30 -0.05 0.00 -1.51 0.00 0.00 37.83 33.96 1ab7 s LYS 2 CO 0.00 -0.83 0.33 0.00 -0.36 0.00 0.00 175.35 174.49 1ab7 s ALA 3 N 1.51 3.76 -0.04 3.13 0.00 0.20 -4.85 121.76 125.48 1ab7 s ALA 3 Ca 0.05 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1ab7 s ALA 3 Cb -0.18 -2.25 0.02 0.00 0.00 0.00 0.00 23.12 20.71 1ab7 s ALA 3 CO -0.16 0.54 -0.06 0.08 0.00 0.00 0.00 175.76 176.16 1ab7 s VAL 4 N -1.12 0.60 -0.23 0.00 1.01 -1.26 -0.19 120.40 119.21 1ab7 s VAL 4 Ca 0.23 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 1ab7 s VAL 4 Cb -0.15 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1ab7 s VAL 4 CO 0.12 0.23 0.23 -0.63 0.00 0.00 0.00 175.10 175.04 1ab7 s ILE 5 N 0.70 5.31 -0.38 2.22 -1.09 -0.44 -4.88 121.20 122.64 1ab7 s ILE 5 Ca -0.10 0.34 -0.04 0.00 -2.23 0.00 0.00 60.65 58.62 1ab7 s ILE 5 Cb -0.13 -3.57 0.09 0.00 -1.58 0.00 0.00 42.46 37.27 1ab7 s ILE 5 CO 0.01 0.32 0.15 0.20 -1.23 0.00 0.00 174.94 174.39 1ab7 s ASN 6 N 1.05 5.22 0.00 3.58 -0.87 -1.26 -1.02 114.94 121.64 1ab7 s ASN 6 Ca 0.11 -1.73 0.25 0.00 -1.57 0.00 0.00 52.86 49.93 1ab7 s ASN 6 Cb -0.14 -1.82 1.46 0.00 -0.02 0.00 0.00 41.25 40.73 1ab7 s ASN 6 CO 0.05 -0.46 1.87 0.61 -2.57 0.00 0.00 177.10 176.61 1ab7 n GLY 7 N 4.65 -0.87 0.00 0.66 0.00 -1.24 -1.11 105.19 107.28 1ab7 n GLY 7 Ca -0.06 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.07 0.25 -0.00 1.61 0.28 -1.26 -4.37 120.64 116.07 1ab7 n GLU 8 Ca 0.17 -0.07 0.02 0.00 -0.16 0.00 0.00 57.16 57.12 1ab7 n GLU 8 Cb 0.11 -1.51 -0.04 0.00 1.43 0.00 0.00 31.44 31.44 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 -1.79 0.58 -2.26 3.44 0.00 -1.03 -4.90 117.38 111.42 1ab7 n GLN 9 Ca 0.01 -0.04 -0.40 0.00 -0.00 0.00 0.00 57.00 56.58 1ab7 n GLN 9 Cb 0.42 -1.11 -0.03 0.00 0.00 0.00 0.00 30.24 29.52 1ab7 n GLN 9 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1ab7 s ILE 10 N -2.29 3.54 0.13 1.69 -1.09 -0.27 -4.83 121.20 118.08 1ab7 s ILE 10 Ca -0.02 0.33 -0.16 0.00 -2.23 0.00 0.00 60.65 58.57 1ab7 s ILE 10 Cb 0.03 -4.34 -0.01 0.00 -1.58 0.00 0.00 42.46 36.55 1ab7 s ILE 10 CO 0.19 -1.27 1.70 0.03 -1.23 0.00 0.00 174.94 174.35 1ab7 h ARG 11 N 12.71 0.55 -4.04 2.79 3.08 -1.90 -3.45 114.38 124.12 1ab7 h ARG 11 Ca -0.27 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.57 1ab7 h ARG 11 Cb 1.11 -0.10 -0.13 0.00 0.08 0.00 0.00 29.97 30.94 1ab7 h ARG 11 CO 1.23 0.50 -0.41 -1.54 -1.07 0.00 0.00 179.97 178.69 1ab7 s SER 12 N -5.77 0.11 0.47 7.04 1.04 -1.26 -4.90 113.70 110.43 1ab7 s SER 12 Ca -0.13 -0.97 0.33 0.00 0.48 0.00 0.00 55.95 55.66 1ab7 s SER 12 Cb 0.10 0.40 1.45 0.00 0.10 0.00 0.00 66.02 68.07 1ab7 s SER 12 CO 0.74 -0.85 1.66 -0.29 0.98 0.00 0.00 173.24 175.48 1ab7 h ILE 13 N 2.63 0.20 -0.33 -1.02 -0.00 -1.87 0.24 117.51 117.36 1ab7 h ILE 13 Ca -0.33 -0.03 0.07 0.00 -0.00 0.00 0.00 64.86 64.57 1ab7 h ILE 13 Cb 1.22 0.09 -0.08 0.00 -0.00 0.00 0.00 36.82 38.05 1ab7 h ILE 13 CO 0.51 0.02 -0.20 -1.28 -0.00 0.00 0.00 178.15 177.20 1ab7 h SER 14 N 0.10 -0.66 0.51 2.19 0.87 -1.95 0.23 113.55 114.84 1ab7 h SER 14 Ca 0.77 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 61.46 1ab7 h SER 14 Cb 2.59 0.34 -0.00 0.00 -0.44 0.00 0.00 62.40 64.89 1ab7 h SER 14 CO -0.27 -0.23 -0.04 0.44 -0.53 0.00 0.00 176.83 176.20 1ab7 h ASP 15 N -0.16 0.00 0.72 6.23 3.32 -0.92 -2.71 116.42 122.91 1ab7 h ASP 15 Ca 0.17 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 1ab7 h ASP 15 Cb 0.42 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.97 1ab7 h ASP 15 CO -0.42 0.04 -0.35 0.25 -1.72 0.00 0.00 179.24 177.04 1ab7 h LEU 16 N 0.00 -0.82 -1.54 1.55 5.85 -0.42 0.46 115.31 120.39 1ab7 h LEU 16 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ab7 h LEU 16 Cb 0.31 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1ab7 h LEU 16 CO 0.01 -0.48 0.00 0.45 -0.34 0.00 0.00 178.44 178.07 1ab7 h HIS 17 N -1.15 0.00 0.04 1.25 3.86 -1.30 0.22 115.15 118.07 1ab7 h HIS 17 Ca -0.10 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.87 1ab7 h HIS 17 Cb 0.77 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 1ab7 h HIS 17 CO -0.00 0.00 -1.15 1.96 0.86 0.00 0.00 177.93 179.60 1ab7 h GLN 18 N 0.00 0.09 -0.07 2.45 4.20 -1.09 0.54 115.11 121.22 1ab7 h GLN 18 Ca 0.00 -0.15 -0.17 0.00 0.06 0.00 0.00 58.65 58.39 1ab7 h GLN 18 Cb 0.12 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1ab7 h GLN 18 CO 0.00 1.03 -0.69 1.15 -0.67 0.00 0.00 178.83 179.65 1ab7 h THR 19 N 0.02 1.39 0.06 -0.54 2.02 0.16 0.31 112.91 116.33 1ab7 h THR 19 Ca -0.08 -2.11 -0.24 0.00 0.77 0.00 0.00 66.41 64.74 1ab7 h THR 19 Cb 1.86 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 70.34 1ab7 h THR 19 CO 0.15 0.63 -1.16 -0.07 0.37 0.00 0.00 175.52 175.44 1ab7 h LEU 20 N 0.24 0.19 -0.70 2.58 3.38 -1.27 -1.44 115.31 118.28 1ab7 h LEU 20 Ca -0.02 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1ab7 h LEU 20 Cb 1.25 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1ab7 h LEU 20 CO 0.11 1.17 -0.18 0.50 0.09 0.00 0.00 178.44 180.13 1ab7 h LYS 21 N 0.03 0.00 0.12 1.13 3.64 -0.71 0.54 116.57 121.32 1ab7 h LYS 21 Ca -0.08 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.02 1ab7 h LYS 21 Cb 1.87 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.69 1ab7 h LYS 21 CO 0.16 0.18 -1.40 -0.22 -2.27 0.00 0.00 179.45 175.90 1ab7 h LYS 22 N 0.00 0.25 0.01 1.90 3.64 -0.28 -1.86 116.57 120.23 1ab7 h LYS 22 Ca -0.00 -0.43 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1ab7 h LYS 22 Cb 0.88 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1ab7 h LYS 22 CO 0.02 1.21 -0.00 0.93 -2.27 0.00 0.00 179.45 179.34 1ab7 h GLU 23 N -0.29 -0.01 0.00 1.90 4.39 -1.27 -3.23 114.58 116.07 1ab7 h GLU 23 Ca -0.30 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.38 1ab7 h GLU 23 Cb 1.77 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.42 1ab7 h GLU 23 CO 0.07 0.81 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.55 1ab7 h LEU 24 N -0.87 0.00 -1.68 1.33 3.38 -1.08 -3.46 115.31 112.93 1ab7 h LEU 24 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1ab7 h LEU 24 Cb 0.82 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.67 1ab7 h LEU 24 CO 0.00 0.11 -0.45 0.00 0.09 0.00 0.00 178.44 178.19 1ab7 n ALA 25 N -2.17 -1.16 -1.36 1.53 0.00 -0.77 -4.78 120.51 111.80 1ab7 n ALA 25 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1ab7 n ALA 25 Cb 0.35 -1.87 0.13 0.00 0.00 0.00 0.00 19.45 18.06 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 -4.63 2.20 0.00 0.00 1.43 -0.78 -5.01 118.68 111.90 1ab7 s LEU 26 Ca 0.04 1.28 -0.05 0.00 -1.03 0.00 0.00 54.13 54.37 1ab7 s LEU 26 Cb -0.02 -3.70 0.07 0.00 0.03 0.00 0.00 46.19 42.57 1ab7 s LEU 26 CO 0.44 -2.51 0.36 -0.81 0.23 0.00 0.00 176.35 174.05 1ab7 n PRO 27 N -3.78 -0.82 0.13 1.29 -0.04 -1.26 -4.94 135.00 125.58 1ab7 n PRO 27 Ca 0.07 -0.56 -0.24 0.00 -0.04 0.00 0.00 63.50 62.73 1ab7 n PRO 27 Cb 0.57 -0.42 -0.16 0.00 -0.04 0.00 0.00 33.50 33.45 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 4.81 -2.00 -3.21 114.58 115.22 1ab7 h GLU 28 Ca -0.12 -0.86 0.00 0.00 -0.13 0.00 0.00 59.36 58.25 1ab7 h GLU 28 Cb 0.35 0.32 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1ab7 h GLU 28 CO 0.08 1.41 0.00 2.48 -0.73 0.00 0.00 179.01 182.25 1ab7 n TYR 29 N -3.77 0.00 -1.11 0.92 0.18 -1.26 -4.83 117.16 107.29 1ab7 n TYR 29 Ca -0.17 0.00 -0.53 0.00 1.88 0.00 0.00 57.90 59.08 1ab7 n TYR 29 Cb 1.06 -0.03 -0.11 0.00 -0.38 0.00 0.00 39.34 39.89 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 -1.03 1.04 0.09 -3.48 9.36 -1.21 -4.73 117.16 117.19 1ab7 n TYR 30 Ca 0.15 0.69 0.05 0.00 3.32 0.00 0.00 57.90 62.11 1ab7 n TYR 30 Cb 0.08 -2.03 0.50 0.00 -0.63 0.00 0.00 39.34 37.26 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 7.93 0.37 0.00 2.98 0.00 -1.89 -3.45 103.07 109.00 1ab7 h GLY 31 Ca -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1ab7 h GLY 31 CO 0.96 0.14 0.00 -1.84 0.00 0.00 0.00 176.54 175.80 1ab7 n GLU 32 N -4.49 0.00 -1.63 4.80 0.28 -1.26 -4.98 120.64 113.36 1ab7 n GLU 32 Ca 0.01 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.71 1ab7 n GLU 32 Cb 0.08 -0.81 0.21 0.00 1.43 0.00 0.00 31.44 32.35 1ab7 n GLU 32 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1ab7 s ASN 33 N -1.40 2.22 0.00 -1.84 0.01 -1.26 -4.72 114.94 107.96 1ab7 s ASN 33 Ca 0.00 0.36 0.14 0.00 -0.71 0.00 0.00 52.86 52.65 1ab7 s ASN 33 Cb 0.00 -0.44 0.61 0.00 0.41 0.00 0.00 41.25 41.83 1ab7 s ASN 33 CO 0.00 -3.29 1.45 0.00 -1.51 0.00 0.00 177.10 173.75 1ab7 n LEU 34 N -4.16 0.00 -0.06 0.60 -0.00 -1.26 -1.28 117.00 110.84 1ab7 n LEU 34 Ca 0.15 0.49 -0.08 0.00 -0.00 0.00 0.00 56.01 56.57 1ab7 n LEU 34 Cb 0.59 -0.49 -0.07 0.00 -0.00 0.00 0.00 43.42 43.46 1ab7 n LEU 34 CO 0.45 -0.25 0.13 -2.24 -0.00 0.00 0.00 177.39 175.48 1ab7 h ASP 35 N 0.00 0.00 0.39 1.45 2.03 -1.97 -1.29 116.42 117.02 1ab7 h ASP 35 Ca 0.00 -0.48 -0.16 0.00 -0.73 0.00 0.00 57.03 55.66 1ab7 h ASP 35 Cb 0.24 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.73 1ab7 h ASP 35 CO 0.00 0.79 -0.65 0.00 -1.03 0.00 0.00 179.24 178.35 1ab7 h ALA 36 N -0.52 0.79 0.28 4.15 0.00 -1.90 -0.00 119.26 122.06 1ab7 h ALA 36 Ca -0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1ab7 h ALA 36 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ab7 h ALA 36 CO -0.01 0.76 -0.14 1.25 0.00 0.00 0.00 179.25 181.11 1ab7 h LEU 37 N 0.18 -0.32 -1.04 0.00 5.85 -1.33 0.20 115.31 118.85 1ab7 h LEU 37 Ca -0.01 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.57 1ab7 h LEU 37 Cb 1.18 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 1ab7 h LEU 37 CO 0.10 0.12 0.64 -0.25 -0.34 0.00 0.00 178.44 178.71 1ab7 h TRP 38 N -0.86 1.16 -0.10 1.25 -0.00 -1.26 0.52 115.95 116.67 1ab7 h TRP 38 Ca -0.04 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.85 1ab7 h TRP 38 Cb 0.52 -0.38 -0.01 0.00 -0.00 0.00 0.00 29.16 29.29 1ab7 h TRP 38 CO 0.04 0.58 -0.09 -0.44 -0.00 0.00 0.00 178.44 178.53 1ab7 h ASP 39 N 1.12 0.13 0.00 2.65 3.32 -0.84 -2.26 116.42 120.54 1ab7 h ASP 39 Ca 0.44 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1ab7 h ASP 39 Cb 0.23 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1ab7 h ASP 39 CO -0.18 0.25 -0.00 0.00 -1.72 0.00 0.00 179.24 177.59 1ab7 h ALA 40 N 1.77 0.00 -0.28 3.45 0.00 0.31 -3.20 119.26 121.30 1ab7 h ALA 40 Ca 0.03 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ab7 h ALA 40 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1ab7 h ALA 40 CO 0.01 0.00 -0.17 1.28 0.00 0.00 0.00 179.25 180.38 1ab7 n LEU 41 N -2.07 -0.30 -2.66 0.00 4.77 0.91 0.26 117.00 117.91 1ab7 n LEU 41 Ca -0.00 0.99 -0.26 0.00 -0.03 0.00 0.00 56.01 56.70 1ab7 n LEU 41 Cb 0.00 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 40.70 1ab7 n LEU 41 CO 0.00 -0.65 2.12 1.07 -1.33 0.00 0.00 177.39 178.60 1ab7 n THR 42 N -3.57 3.75 0.00 -5.08 5.66 -0.85 -3.39 114.28 110.80 1ab7 n THR 42 Ca 0.01 -2.61 0.00 0.00 -3.05 0.00 0.00 64.05 58.39 1ab7 n THR 42 Cb 0.07 -2.03 0.00 0.00 -1.55 0.00 0.00 70.33 66.82 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 2.16 0.00 0.00 1.09 0.00 0.24 -4.84 105.19 103.84 1ab7 n GLY 43 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1ab7 n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1ab7 n TRP 44 N 0.00 0.00 -1.90 1.61 -0.00 0.74 -4.58 117.44 113.31 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 0.00 0.04 0.00 -0.00 0.00 0.00 31.31 31.35 1ab7 n TRP 44 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1ab7 s VAL 45 N -0.86 3.59 -0.15 5.87 1.01 -0.81 -4.93 120.40 124.11 1ab7 s VAL 45 Ca 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 1ab7 s VAL 45 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1ab7 s VAL 45 CO 0.00 -0.67 -0.11 -0.70 0.00 0.00 0.00 175.10 173.62 1ab7 s GLU 46 N -5.34 3.36 0.28 2.72 2.12 -1.26 -4.94 118.70 115.64 1ab7 s GLU 46 Ca 0.58 -0.68 0.07 0.00 0.36 0.00 0.00 54.97 55.30 1ab7 s GLU 46 Cb -0.11 -2.72 -0.03 0.00 0.26 0.00 0.00 34.13 31.53 1ab7 s GLU 46 CO 0.52 0.09 0.21 0.71 -0.54 0.00 0.00 175.26 176.25 1ab7 s TYR 47 N 0.67 3.02 0.18 5.30 2.02 -1.26 -0.90 117.35 126.38 1ab7 s TYR 47 Ca -0.06 -0.18 -0.30 0.00 -0.37 0.00 0.00 57.07 56.16 1ab7 s TYR 47 Cb -0.15 -1.50 -0.08 0.00 -0.40 0.00 0.00 41.96 39.82 1ab7 s TYR 47 CO 0.02 0.43 1.30 -1.25 -1.57 0.00 0.00 175.55 174.48 1ab7 s PRO 48 N -3.87 4.40 0.27 -1.71 0.04 -1.26 -4.78 135.00 128.08 1ab7 s PRO 48 Ca 0.35 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.48 1ab7 s PRO 48 Cb -0.07 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 1ab7 s PRO 48 CO 0.25 -0.25 0.30 -1.17 0.04 0.00 0.00 177.00 176.17 1ab7 s LEU 49 N 0.02 3.97 -0.41 -3.56 2.96 -0.18 -2.43 118.68 119.04 1ab7 s LEU 49 Ca 0.57 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.33 1ab7 s LEU 49 Cb -0.36 -2.54 0.12 0.00 0.50 0.00 0.00 46.19 43.91 1ab7 s LEU 49 CO 0.37 -0.14 0.16 -0.69 -1.32 0.00 0.00 176.35 174.72 1ab7 s VAL 50 N -2.12 2.07 -1.43 1.68 1.01 0.73 -0.15 120.40 122.19 1ab7 s VAL 50 Ca 0.36 -2.59 -0.09 0.00 0.00 0.00 0.00 61.98 59.66 1ab7 s VAL 50 Cb -0.08 -2.49 0.05 0.00 0.00 0.00 0.00 36.38 33.87 1ab7 s VAL 50 CO 0.27 -0.72 2.43 -0.11 0.00 0.00 0.00 175.10 176.97 1ab7 n LEU 51 N 3.83 7.79 -4.57 3.92 7.94 0.69 0.62 117.00 137.22 1ab7 n LEU 51 Ca 0.04 -4.56 -0.18 0.00 -1.11 0.00 0.00 56.01 50.21 1ab7 n LEU 51 Cb 0.37 -1.49 -0.08 0.00 0.53 0.00 0.00 43.42 42.75 1ab7 n LEU 51 CO 0.25 1.77 1.23 -0.70 -1.11 0.00 0.00 177.39 178.83 1ab7 s GLU 52 N 0.87 1.72 -0.20 1.96 2.12 0.73 -1.41 118.70 124.49 1ab7 s GLU 52 Ca 0.55 -0.10 -0.29 0.00 0.36 0.00 0.00 54.97 55.49 1ab7 s GLU 52 Cb 0.16 -4.94 0.00 0.00 0.26 0.00 0.00 34.13 29.61 1ab7 s GLU 52 CO -0.06 -4.55 1.01 -0.46 -0.54 0.00 0.00 175.26 170.66 1ab7 s TRP 53 N 14.32 3.38 0.07 5.30 -0.11 -0.90 -1.33 118.94 139.68 1ab7 s TRP 53 Ca 0.83 1.48 0.02 0.00 1.22 0.00 0.00 56.10 59.65 1ab7 s TRP 53 Cb -0.08 -3.23 -0.04 0.00 -1.50 0.00 0.00 33.47 28.62 1ab7 s TRP 53 CO 0.10 -0.40 0.09 1.03 -4.62 0.00 0.00 176.95 173.15 1ab7 s ARG 54 N 2.85 2.96 1.45 5.86 0.52 -0.19 -4.14 118.95 128.25 1ab7 s ARG 54 Ca 0.44 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1ab7 s ARG 54 Cb -0.16 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.54 1ab7 s ARG 54 CO 0.09 0.57 0.00 1.04 0.02 0.00 0.00 175.30 177.03 1ab7 n GLN 55 N 0.47 0.00 0.00 3.54 1.13 -1.26 -3.68 117.38 117.57 1ab7 n GLN 55 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1ab7 n GLN 55 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.87 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 0.00 0.00 -0.01 1.08 7.35 -1.26 -4.70 117.46 119.92 1ab7 n PHE 56 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1ab7 n PHE 56 Cb 0.00 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 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 -0.13 -6.96 -4.13 3.07 -2.00 -3.29 114.58 101.15 1ab7 h GLU 57 Ca 0.00 0.01 -0.50 0.00 -0.50 0.00 0.00 59.36 58.37 1ab7 h GLU 57 Cb 0.00 0.03 0.04 0.00 -0.84 0.00 0.00 28.75 27.98 1ab7 h GLU 57 CO 0.00 -0.09 0.46 1.14 -1.40 0.00 0.00 179.01 179.12 1ab7 s GLN 58 N -6.16 4.07 0.00 2.33 -2.07 -1.26 -2.85 119.66 113.72 1ab7 s GLN 58 Ca -0.14 1.68 0.00 0.00 -1.82 0.00 0.00 55.36 55.08 1ab7 s GLN 58 Cb 0.10 -2.59 0.00 0.00 -1.09 0.00 0.00 33.01 29.43 1ab7 s GLN 58 CO 0.68 -0.26 0.00 0.45 -1.32 0.00 0.00 175.29 174.84 1ab7 n SER 59 N -0.05 0.00 -0.03 12.60 2.88 -1.26 -4.77 113.62 123.00 1ab7 n SER 59 Ca 0.05 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.42 1ab7 n SER 59 Cb 0.48 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.81 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 0.87 0.12 0.00 -1.46 3.64 -1.59 -3.31 116.57 114.84 1ab7 h LYS 60 Ca 0.00 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1ab7 h LYS 60 Cb 0.00 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1ab7 h LYS 60 CO 0.00 1.10 -0.05 1.96 -2.27 0.00 0.00 179.45 180.19 1ab7 h GLN 61 N -0.75 0.00 0.00 1.90 4.20 -1.86 -3.05 115.11 115.55 1ab7 h GLN 61 Ca -0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1ab7 h GLN 61 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1ab7 h GLN 61 CO 0.05 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.49 1ab7 n LEU 62 N -2.34 0.00 0.00 1.46 4.32 -1.24 -4.77 117.00 114.43 1ab7 n LEU 62 Ca 0.05 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 1ab7 n LEU 62 Cb 0.44 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 1ab7 n LEU 62 CO 0.31 -0.07 0.00 1.07 -1.22 0.00 0.00 177.39 177.49 1ab7 n THR 63 N -1.21 0.00 0.00 -5.08 5.66 -1.15 -4.79 114.28 107.71 1ab7 n THR 63 Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 1ab7 n THR 63 Cb 0.14 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 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 1.93 -2.65 1.09 0.28 -1.26 -4.97 120.64 115.06 1ab7 n GLU 64 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1ab7 n GLU 64 Cb 0.00 -0.89 0.02 0.00 1.43 0.00 0.00 31.44 32.00 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 -1.89 -1.03 -0.11 -1.84 5.15 -1.26 -5.00 115.26 109.28 1ab7 n ASN 65 Ca 0.00 -1.54 -0.18 0.00 -0.60 0.00 0.00 54.58 52.26 1ab7 n ASN 65 Cb 0.39 1.01 -0.07 0.00 -0.53 0.00 0.00 39.78 40.58 1ab7 n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ab7 n GLY 66 N -0.14 -0.64 0.16 8.20 0.00 -1.26 -3.18 105.19 108.33 1ab7 n GLY 66 Ca -0.23 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 1ab7 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab7 h ALA 67 N -0.90 0.45 -0.06 4.61 0.00 -1.87 -1.54 119.26 119.95 1ab7 h ALA 67 Ca -0.31 -0.67 -0.22 0.00 0.00 0.00 0.00 54.91 53.71 1ab7 h ALA 67 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ab7 h ALA 67 CO -0.19 0.80 -0.86 1.49 0.00 0.00 0.00 179.25 180.49 1ab7 h GLU 68 N 0.25 0.54 0.01 0.00 4.22 -1.90 -2.81 114.58 114.89 1ab7 h GLU 68 Ca -0.06 -0.50 -0.07 0.00 0.08 0.00 0.00 59.36 58.81 1ab7 h GLU 68 Cb 1.47 0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.85 1ab7 h GLU 68 CO 0.15 1.13 -0.28 0.66 -2.18 0.00 0.00 179.01 178.49 1ab7 h SER 69 N 0.34 0.22 -0.85 1.04 4.64 -1.58 -0.90 113.55 116.46 1ab7 h SER 69 Ca -0.07 -0.83 0.19 0.00 -0.47 0.00 0.00 61.79 60.62 1ab7 h SER 69 Cb 1.48 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 63.44 1ab7 h SER 69 CO 0.16 1.03 0.57 0.58 -0.87 0.00 0.00 176.83 178.29 1ab7 h VAL 70 N -0.55 0.70 -0.15 0.95 2.07 -1.38 0.24 116.25 118.13 1ab7 h VAL 70 Ca -0.04 -0.12 -0.15 0.00 0.82 0.00 0.00 66.70 67.21 1ab7 h VAL 70 Cb 1.08 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1ab7 h VAL 70 CO 0.06 0.07 -0.48 0.25 0.02 0.00 0.00 177.57 177.48 1ab7 h LEU 71 N 0.36 0.68 -1.72 2.57 5.85 -1.37 0.77 115.31 122.44 1ab7 h LEU 71 Ca 0.43 -0.60 0.16 0.00 0.84 0.00 0.00 57.88 58.71 1ab7 h LEU 71 Cb 1.12 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1ab7 h LEU 71 CO -0.14 1.16 0.48 1.56 -0.34 0.00 0.00 178.44 181.16 1ab7 h GLN 72 N 0.23 0.26 0.09 1.25 4.20 0.89 -0.39 115.11 121.65 1ab7 h GLN 72 Ca -0.02 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 1ab7 h GLN 72 Cb 1.11 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.84 1ab7 h GLN 72 CO 0.10 0.17 -0.60 0.28 -0.67 0.00 0.00 178.83 178.12 1ab7 h VAL 73 N 0.27 1.56 -0.18 -0.54 2.07 -0.99 -1.03 116.25 117.41 1ab7 h VAL 73 Ca 0.34 -2.46 0.05 0.00 0.82 0.00 0.00 66.70 65.46 1ab7 h VAL 73 Cb 0.96 3.21 -0.06 0.00 -1.52 0.00 0.00 31.29 33.88 1ab7 h VAL 73 CO -0.08 0.67 -0.22 -0.26 0.02 0.00 0.00 177.57 177.70 1ab7 h PHE 74 N -0.60 -0.58 -0.81 1.57 0.04 -0.09 0.25 116.94 116.72 1ab7 h PHE 74 Ca -0.11 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.70 1ab7 h PHE 74 Cb 1.43 0.28 -0.04 0.00 2.20 0.00 0.00 35.95 39.82 1ab7 h PHE 74 CO 0.22 -0.30 0.54 0.00 -0.60 0.00 0.00 178.31 178.17 1ab7 h ARG 75 N -0.25 1.06 -0.16 1.51 3.08 -1.20 0.11 114.38 118.52 1ab7 h ARG 75 Ca 0.12 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.15 1ab7 h ARG 75 Cb 0.43 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1ab7 h ARG 75 CO -0.33 0.70 0.18 0.93 -1.07 0.00 0.00 179.97 180.38 1ab7 h GLU 76 N 1.09 0.00 0.00 0.04 4.39 0.72 0.29 114.58 121.11 1ab7 h GLU 76 Ca 0.30 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 1ab7 h GLU 76 Cb -0.10 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1ab7 h GLU 76 CO -0.07 0.00 -0.04 0.00 -1.16 0.00 0.00 179.01 177.74 1ab7 h ALA 77 N 1.79 0.01 0.00 3.43 0.00 0.19 -0.92 119.26 123.75 1ab7 h ALA 77 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ab7 h ALA 77 Cb 0.44 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 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 -4.68 0.04 -0.02 0.00 -0.00 -0.60 0.12 118.16 113.02 1ab7 n LYS 78 Ca -0.06 0.29 -0.01 0.00 -0.00 0.00 0.00 58.31 58.53 1ab7 n LYS 78 Cb 0.28 -1.50 -0.00 0.00 -0.00 0.00 0.00 35.03 33.80 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 -1.45 0.12 0.00 0.58 0.00 0.98 -4.63 120.51 116.11 1ab7 n ALA 79 Ca 0.03 -0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 1ab7 n ALA 79 Cb 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.20 -0.49 0.00 0.00 4.39 -1.19 -3.44 114.58 113.65 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 0.14 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1ab7 h GLU 80 CO 0.00 -0.33 0.00 0.41 -1.16 0.00 0.00 179.01 177.93 1ab7 n GLY 81 N -1.38 0.21 3.22 -3.84 0.00 -0.94 -5.09 105.19 97.38 1ab7 n GLY 81 Ca -0.05 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.14 -3.34 -2.80 4.61 0.00 0.32 -4.85 120.51 113.32 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 -1.39 -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 2.57 6.22 -4.94 0.00 9.92 -1.26 -3.71 116.55 125.35 1ab7 n ASP 83 Ca 0.07 -3.66 -0.26 0.00 -0.53 0.00 0.00 54.79 50.41 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 -4.19 5.31 -0.73 0.53 1.01 -1.26 -1.01 121.20 120.86 1ab7 s ILE 84 Ca 0.42 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 60.35 1ab7 s ILE 84 Cb 0.21 -3.74 0.19 0.00 0.01 0.00 0.00 42.46 39.12 1ab7 s ILE 84 CO -0.11 -0.10 0.60 -0.89 0.00 0.00 0.00 174.94 174.43 1ab7 s THR 85 N -1.76 4.56 -0.67 2.92 2.01 0.78 -4.66 115.64 118.82 1ab7 s THR 85 Ca 0.35 -2.80 -0.27 0.00 0.31 0.00 0.00 61.69 59.28 1ab7 s THR 85 Cb -0.11 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 68.53 1ab7 s THR 85 CO 0.29 -0.95 1.50 -0.63 -0.69 0.00 0.00 174.62 174.13 1ab7 s ILE 86 N -0.04 3.60 0.02 1.82 1.09 -1.26 -0.23 121.20 126.20 1ab7 s ILE 86 Ca 0.18 0.36 -0.12 0.00 -1.10 0.00 0.00 60.65 59.98 1ab7 s ILE 86 Cb -0.15 -4.52 -0.06 0.00 -1.06 0.00 0.00 42.46 36.67 1ab7 s ILE 86 CO -0.06 -1.45 0.37 -0.63 -0.10 0.00 0.00 174.94 173.08 1ab7 s ILE 87 N 6.96 5.11 0.12 2.92 1.01 -0.50 -4.94 121.20 131.88 1ab7 s ILE 87 Ca 0.48 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.74 1ab7 s ILE 87 Cb -0.10 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1ab7 s ILE 87 CO 0.18 0.46 0.00 0.18 0.00 0.00 0.00 174.94 175.77 1ab7 n LEU 88 N 1.46 -0.41 0.00 2.97 4.77 -1.26 -2.13 117.00 122.41 1ab7 n LEU 88 Ca -0.12 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1ab7 n LEU 88 Cb 0.53 0.52 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 1ab7 n LEU 88 CO 0.39 -0.52 0.00 -1.20 -1.33 0.00 0.00 177.39 174.73