#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 1.14 0.02 1.64 2.47 -1.26 -0.49 119.74 123.26 1ab7 s LYS 2 Ca 0.00 -0.71 0.03 0.00 -1.56 0.00 0.00 55.97 53.72 1ab7 s LYS 2 Cb 0.00 -1.16 -0.02 0.00 -1.46 0.00 0.00 37.83 35.20 1ab7 s LYS 2 CO 0.00 0.30 -0.09 0.00 0.16 0.00 0.00 175.35 175.72 1ab7 s ALA 3 N -0.65 0.70 -0.05 3.13 0.00 0.17 -4.62 121.76 120.44 1ab7 s ALA 3 Ca 0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.42 1ab7 s ALA 3 Cb -0.07 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 22.99 1ab7 s ALA 3 CO 0.01 0.10 0.04 0.08 0.00 0.00 0.00 175.76 175.99 1ab7 s VAL 4 N -0.72 0.07 -0.24 0.00 1.01 -1.26 -0.61 120.40 118.64 1ab7 s VAL 4 Ca -0.02 0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.13 1ab7 s VAL 4 Cb -0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1ab7 s VAL 4 CO 0.00 0.21 0.36 -0.63 0.00 0.00 0.00 175.10 175.04 1ab7 s ILE 5 N 2.07 5.21 -0.37 2.22 -1.09 -0.37 -4.92 121.20 123.95 1ab7 s ILE 5 Ca 0.05 0.58 -0.00 0.00 -2.23 0.00 0.00 60.65 59.04 1ab7 s ILE 5 Cb -0.12 -3.68 0.10 0.00 -1.58 0.00 0.00 42.46 37.17 1ab7 s ILE 5 CO -0.04 0.22 0.12 0.20 -1.23 0.00 0.00 174.94 174.22 1ab7 s ASN 6 N 1.32 5.03 0.00 3.58 0.01 -1.26 0.09 114.94 123.71 1ab7 s ASN 6 Ca 0.16 -2.00 0.15 0.00 -0.71 0.00 0.00 52.86 50.46 1ab7 s ASN 6 Cb -0.15 -1.74 0.70 0.00 0.41 0.00 0.00 41.25 40.47 1ab7 s ASN 6 CO 0.08 -0.45 1.46 0.61 -1.51 0.00 0.00 177.10 177.29 1ab7 n GLY 7 N 4.47 -0.92 0.06 0.66 0.00 -1.03 -1.28 105.19 107.13 1ab7 n GLY 7 Ca -0.01 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.41 0.18 -0.00 1.61 2.13 -1.26 -3.87 120.64 118.02 1ab7 n GLU 8 Ca 0.05 0.10 0.01 0.00 0.66 0.00 0.00 57.16 57.98 1ab7 n GLU 8 Cb 0.15 -1.66 -0.01 0.00 0.27 0.00 0.00 31.44 30.19 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 0.24 -2.26 5.31 -0.06 -0.67 -4.92 117.38 113.07 1ab7 n GLN 9 Ca 0.05 -0.02 -0.39 0.00 -2.00 0.00 0.00 57.00 54.64 1ab7 n GLN 9 Cb 0.40 -1.04 -0.03 0.00 -4.06 0.00 0.00 30.24 25.51 1ab7 n GLN 9 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1ab7 s ILE 10 N -2.12 3.51 0.14 1.69 -1.09 -0.40 -4.82 121.20 118.11 1ab7 s ILE 10 Ca -0.01 0.28 -0.15 0.00 -2.23 0.00 0.00 60.65 58.55 1ab7 s ILE 10 Cb 0.01 -4.37 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 1ab7 s ILE 10 CO 0.07 -1.32 1.64 0.03 -1.23 0.00 0.00 174.94 174.13 1ab7 h ARG 11 N 12.80 0.70 -4.10 2.79 3.08 -1.91 -3.46 114.38 124.29 1ab7 h ARG 11 Ca -0.26 -0.16 -0.14 0.00 0.07 0.00 0.00 59.98 59.48 1ab7 h ARG 11 Cb 1.11 -0.09 -0.12 0.00 0.08 0.00 0.00 29.97 30.94 1ab7 h ARG 11 CO 1.25 0.70 -0.39 0.45 -1.07 0.00 0.00 179.97 180.91 1ab7 s SER 12 N -6.04 0.06 0.62 7.04 0.15 -1.26 -4.99 113.70 109.27 1ab7 s SER 12 Ca -0.13 -1.09 0.26 0.00 0.70 0.00 0.00 55.95 55.69 1ab7 s SER 12 Cb 0.11 0.45 1.27 0.00 -1.71 0.00 0.00 66.02 66.13 1ab7 s SER 12 CO 0.78 -0.94 1.70 -0.29 1.20 0.00 0.00 173.24 175.69 1ab7 h ILE 13 N 2.51 0.17 -0.16 6.45 6.09 -1.89 0.10 117.51 130.78 1ab7 h ILE 13 Ca -0.32 0.00 0.01 0.00 -1.37 0.00 0.00 64.86 63.18 1ab7 h ILE 13 Cb 1.24 0.45 -0.01 0.00 0.47 0.00 0.00 36.82 38.97 1ab7 h ILE 13 CO 0.47 0.00 0.09 0.77 -3.07 0.00 0.00 178.15 176.40 1ab7 h SER 14 N 0.00 0.14 0.61 2.19 4.64 -1.97 -0.75 113.55 118.41 1ab7 h SER 14 Ca 0.19 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1ab7 h SER 14 Cb 1.46 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1ab7 h SER 14 CO -0.00 0.10 -0.02 0.44 -0.87 0.00 0.00 176.83 176.49 1ab7 h ASP 15 N 0.18 0.00 0.57 4.97 5.19 -1.18 -2.79 116.42 123.37 1ab7 h ASP 15 Ca 0.06 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.44 1ab7 h ASP 15 Cb 0.00 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.52 1ab7 h ASP 15 CO -0.03 0.02 -0.28 0.25 -3.12 0.00 0.00 179.24 176.08 1ab7 h LEU 16 N 0.00 -0.65 -2.08 1.55 5.85 -1.07 -0.53 115.31 118.37 1ab7 h LEU 16 Ca -0.00 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1ab7 h LEU 16 Cb 0.33 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1ab7 h LEU 16 CO 0.00 -0.26 0.32 0.45 -0.34 0.00 0.00 178.44 178.62 1ab7 h HIS 17 N -1.19 0.00 0.20 1.25 3.86 -1.26 0.45 115.15 118.45 1ab7 h HIS 17 Ca -0.08 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.82 1ab7 h HIS 17 Cb 0.59 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.08 1ab7 h HIS 17 CO 0.00 0.00 -1.39 1.96 0.86 0.00 0.00 177.93 179.36 1ab7 h GLN 18 N 0.00 0.42 -0.17 2.45 4.20 -1.23 -0.62 115.11 120.17 1ab7 h GLN 18 Ca 0.05 -0.72 -0.08 0.00 0.06 0.00 0.00 58.65 57.96 1ab7 h GLN 18 Cb 0.69 0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 1ab7 h GLN 18 CO -0.00 1.35 -0.23 1.15 -0.67 0.00 0.00 178.83 180.43 1ab7 h THR 19 N 0.12 1.24 0.13 -0.54 2.02 0.15 0.14 112.91 116.17 1ab7 h THR 19 Ca -0.21 -1.11 -0.29 0.00 0.77 0.00 0.00 66.41 65.57 1ab7 h THR 19 Cb 2.09 1.36 0.02 0.00 -1.74 0.00 0.00 68.15 69.88 1ab7 h THR 19 CO 0.24 0.34 -1.25 -0.07 0.37 0.00 0.00 175.52 175.15 1ab7 h LEU 20 N 0.28 0.74 -2.07 2.58 3.38 -1.25 -1.59 115.31 117.39 1ab7 h LEU 20 Ca 0.05 -0.71 -0.02 0.00 0.09 0.00 0.00 57.88 57.29 1ab7 h LEU 20 Cb 0.56 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ab7 h LEU 20 CO 0.04 1.53 -0.08 0.11 0.09 0.00 0.00 178.44 180.13 1ab7 h LYS 21 N 0.21 0.00 0.04 1.13 1.57 -0.50 0.18 116.57 119.19 1ab7 h LYS 21 Ca -0.18 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.48 1ab7 h LYS 21 Cb 1.93 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.24 1ab7 h LYS 21 CO 0.23 0.08 -0.65 -0.22 -0.57 0.00 0.00 179.45 178.32 1ab7 h LYS 22 N 0.00 0.08 0.47 3.15 3.64 -0.56 0.28 116.57 123.63 1ab7 h LYS 22 Ca -0.00 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1ab7 h LYS 22 Cb 0.20 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1ab7 h LYS 22 CO 0.01 1.06 -0.23 0.93 -2.27 0.00 0.00 179.45 178.96 1ab7 h GLU 23 N -0.81 -0.61 0.00 1.90 4.39 -1.06 -3.15 114.58 115.23 1ab7 h GLU 23 Ca -0.16 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1ab7 h GLU 23 Cb 1.28 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 30.07 1ab7 h GLU 23 CO -0.03 -0.41 -0.08 -0.07 -1.16 0.00 0.00 179.01 177.26 1ab7 h LEU 24 N -1.13 0.00 -2.25 1.33 3.38 -0.86 -3.44 115.31 112.33 1ab7 h LEU 24 Ca -0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1ab7 h LEU 24 Cb 0.49 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.27 1ab7 h LEU 24 CO 0.11 0.08 -0.13 0.00 0.09 0.00 0.00 178.44 178.59 1ab7 n ALA 25 N -2.41 -0.50 -2.02 1.53 0.00 -0.67 -4.79 120.51 111.65 1ab7 n ALA 25 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.13 1ab7 n ALA 25 Cb 0.17 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.94 3.18 0.00 0.00 1.43 0.00 -4.99 118.68 115.37 1ab7 s LEU 26 Ca 0.02 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 1ab7 s LEU 26 Cb -0.00 -3.84 0.00 0.00 0.03 0.00 0.00 46.19 42.37 1ab7 s LEU 26 CO 0.12 -1.05 0.00 -0.81 0.23 0.00 0.00 176.35 174.84 1ab7 n PRO 27 N -2.69 0.50 -0.07 1.29 -0.04 -1.26 -4.87 135.00 127.87 1ab7 n PRO 27 Ca 0.05 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.40 1ab7 n PRO 27 Cb 0.57 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 4.81 -2.00 -3.28 114.58 114.65 1ab7 h GLU 28 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ab7 h GLU 28 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ab7 h GLU 28 CO 0.00 0.71 0.13 0.10 -0.73 0.00 0.00 179.01 179.22 1ab7 h TYR 29 N -1.00 0.00 -0.73 0.92 -0.00 -2.06 -3.44 116.97 110.66 1ab7 h TYR 29 Ca -0.02 0.00 -0.58 0.00 0.00 0.00 0.00 58.73 58.13 1ab7 h TYR 29 Cb 0.74 0.00 0.04 0.00 0.00 0.00 0.00 36.73 37.51 1ab7 h TYR 29 CO 0.18 0.00 0.05 0.98 -0.00 0.00 0.00 178.16 179.37 1ab7 n TYR 30 N -2.27 0.48 -2.69 0.10 9.36 -1.24 -4.83 117.16 116.07 1ab7 n TYR 30 Ca -0.01 0.78 -0.41 0.00 3.32 0.00 0.00 57.90 61.57 1ab7 n TYR 30 Cb 0.16 -1.53 -0.04 0.00 -0.63 0.00 0.00 39.34 37.30 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 0.03 2.98 -0.23 2.98 0.00 -1.26 -4.92 107.32 106.90 1ab7 s GLY 31 Ca 0.67 0.62 -0.04 0.00 0.00 0.00 0.00 44.72 45.97 1ab7 s GLY 31 CO 0.42 1.48 2.88 -1.84 0.00 0.00 0.00 173.10 176.04 1ab7 n GLU 32 N 2.66 2.02 -2.94 2.90 -0.00 -1.26 -3.86 120.64 120.16 1ab7 n GLU 32 Ca 0.02 -1.51 -0.08 0.00 -0.00 0.00 0.00 57.16 55.59 1ab7 n GLU 32 Cb 0.49 -1.89 -0.03 0.00 -0.00 0.00 0.00 31.44 30.00 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 1.43 -0.46 -0.00 -1.84 0.23 -1.26 -4.99 115.26 108.37 1ab7 n ASN 33 Ca 0.39 -2.00 0.14 0.00 -0.53 0.00 0.00 54.58 52.58 1ab7 n ASN 33 Cb 0.68 0.96 0.65 0.00 -2.08 0.00 0.00 39.78 39.98 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 0.00 -0.06 -4.53 -0.00 -1.26 -2.10 117.00 109.05 1ab7 n LEU 34 Ca 0.02 0.46 -0.09 0.00 -0.00 0.00 0.00 56.01 56.41 1ab7 n LEU 34 Cb 0.29 -0.46 -0.07 0.00 -0.00 0.00 0.00 43.42 43.18 1ab7 n LEU 34 CO 0.15 0.00 0.13 -2.24 -0.00 0.00 0.00 177.39 175.42 1ab7 h ASP 35 N 0.00 0.00 0.28 1.45 2.03 -1.95 -2.13 116.42 116.10 1ab7 h ASP 35 Ca 0.00 -0.52 -0.21 0.00 -0.73 0.00 0.00 57.03 55.57 1ab7 h ASP 35 Cb 0.46 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 1ab7 h ASP 35 CO 0.00 0.83 -0.87 0.00 -1.03 0.00 0.00 179.24 178.16 1ab7 h ALA 36 N -0.48 0.42 0.16 4.15 0.00 -1.80 -0.13 119.26 121.58 1ab7 h ALA 36 Ca -0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 1ab7 h ALA 36 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ab7 h ALA 36 CO -0.02 0.79 -0.08 1.25 0.00 0.00 0.00 179.25 181.20 1ab7 h LEU 37 N 0.27 -0.18 -0.88 0.00 5.85 -1.53 0.18 115.31 119.02 1ab7 h LEU 37 Ca -0.07 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.46 1ab7 h LEU 37 Cb 1.49 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.52 1ab7 h LEU 37 CO 0.15 0.12 0.58 -0.25 -0.34 0.00 0.00 178.44 178.70 1ab7 h TRP 38 N -0.49 1.09 -0.48 1.25 2.91 -1.42 0.40 115.95 119.21 1ab7 h TRP 38 Ca -0.02 0.03 0.11 0.00 1.13 0.00 0.00 58.89 60.13 1ab7 h TRP 38 Cb 0.38 -0.37 -0.02 0.00 -0.51 0.00 0.00 29.16 28.64 1ab7 h TRP 38 CO 0.01 0.66 0.34 -0.44 -1.03 0.00 0.00 178.44 177.99 1ab7 h ASP 39 N 1.16 0.15 0.00 2.65 3.32 -0.59 -1.45 116.42 121.66 1ab7 h ASP 39 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1ab7 h ASP 39 Cb -0.08 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1ab7 h ASP 39 CO -0.09 0.09 -0.01 0.00 -1.72 0.00 0.00 179.24 177.51 1ab7 h ALA 40 N 1.76 0.00 -0.38 3.45 0.00 0.28 -3.18 119.26 121.18 1ab7 h ALA 40 Ca 0.23 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1ab7 h ALA 40 Cb 0.67 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1ab7 h ALA 40 CO -0.03 0.01 -0.23 1.28 0.00 0.00 0.00 179.25 180.28 1ab7 n LEU 41 N -2.47 -0.41 -2.72 0.00 4.77 0.39 0.26 117.00 116.83 1ab7 n LEU 41 Ca -0.00 1.10 -0.28 0.00 -0.03 0.00 0.00 56.01 56.80 1ab7 n LEU 41 Cb 0.00 -0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 40.73 1ab7 n LEU 41 CO 0.00 -0.77 2.06 1.07 -1.33 0.00 0.00 177.39 178.43 1ab7 n THR 42 N -3.85 3.85 0.00 -5.08 5.66 -0.56 -3.58 114.28 110.72 1ab7 n THR 42 Ca 0.01 -2.87 0.00 0.00 -3.05 0.00 0.00 64.05 58.14 1ab7 n THR 42 Cb 0.10 -1.96 0.00 0.00 -1.55 0.00 0.00 70.33 66.92 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 1.89 0.00 0.47 1.09 0.00 0.24 -4.83 105.19 104.05 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 -0.59 -1.51 1.61 -0.00 0.74 -4.58 117.44 113.11 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 0.12 0.13 0.00 -0.00 0.00 0.00 31.31 31.56 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 -1.67 2.22 -0.24 5.87 1.01 -0.82 -4.95 120.40 121.81 1ab7 s VAL 45 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1ab7 s VAL 45 Cb 0.00 -2.80 0.06 0.00 0.00 0.00 0.00 36.38 33.64 1ab7 s VAL 45 CO 0.00 -0.09 -0.09 -1.61 0.00 0.00 0.00 175.10 173.31 1ab7 s GLU 46 N -5.23 1.96 0.58 2.72 0.41 -1.26 -4.94 118.70 112.94 1ab7 s GLU 46 Ca 0.63 -1.15 -0.08 0.00 -0.41 0.00 0.00 54.97 53.96 1ab7 s GLU 46 Cb -0.15 -2.72 -0.02 0.00 -1.78 0.00 0.00 34.13 29.46 1ab7 s GLU 46 CO 0.54 -0.57 0.93 0.71 -0.49 0.00 0.00 175.26 176.38 1ab7 s TYR 47 N 1.25 3.50 0.39 1.61 2.02 -1.26 -1.90 117.35 122.96 1ab7 s TYR 47 Ca -0.07 0.98 -0.26 0.00 -0.37 0.00 0.00 57.07 57.35 1ab7 s TYR 47 Cb -0.19 -2.63 -0.09 0.00 -0.40 0.00 0.00 41.96 38.65 1ab7 s TYR 47 CO -0.06 -0.65 1.18 -1.25 -1.57 0.00 0.00 175.55 173.21 1ab7 s PRO 48 N -5.02 4.11 0.24 -1.71 0.04 -1.26 -4.81 135.00 126.58 1ab7 s PRO 48 Ca 0.53 1.88 0.11 0.00 0.04 0.00 0.00 61.00 63.56 1ab7 s PRO 48 Cb -0.11 -2.74 -0.05 0.00 0.04 0.00 0.00 34.50 31.65 1ab7 s PRO 48 CO 0.49 -0.28 -0.20 -1.17 0.04 0.00 0.00 177.00 175.88 1ab7 s LEU 49 N -2.38 2.59 0.01 -3.56 2.96 -0.26 -0.62 118.68 117.42 1ab7 s LEU 49 Ca 0.56 -0.91 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1ab7 s LEU 49 Cb -0.32 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 1ab7 s LEU 49 CO 0.40 0.07 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.69 1ab7 s VAL 50 N -2.11 3.22 -0.45 1.68 1.01 0.36 -0.56 120.40 123.55 1ab7 s VAL 50 Ca 0.26 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.40 1ab7 s VAL 50 Cb -0.06 -2.36 0.31 0.00 0.00 0.00 0.00 36.38 34.26 1ab7 s VAL 50 CO 0.13 0.40 0.72 -0.11 0.00 0.00 0.00 175.10 176.25 1ab7 n LEU 51 N 1.66 1.77 -4.57 3.92 7.94 -0.18 0.46 117.00 128.00 1ab7 n LEU 51 Ca -0.16 -5.12 -0.19 0.00 -1.11 0.00 0.00 56.01 49.43 1ab7 n LEU 51 Cb 0.52 0.27 -0.08 0.00 0.53 0.00 0.00 43.42 44.67 1ab7 n LEU 51 CO 0.28 2.22 1.25 -0.70 -1.11 0.00 0.00 177.39 179.33 1ab7 s GLU 52 N -2.34 1.80 -0.98 1.96 2.56 0.22 -1.55 118.70 120.36 1ab7 s GLU 52 Ca 0.41 -0.23 -0.23 0.00 0.00 0.00 0.00 54.97 54.91 1ab7 s GLU 52 Cb 0.27 -4.98 0.03 0.00 2.00 0.00 0.00 34.13 31.45 1ab7 s GLU 52 CO -0.09 -4.50 1.53 -0.46 -0.56 0.00 0.00 175.26 171.18 1ab7 s TRP 53 N 13.96 2.38 0.00 5.30 -0.11 -1.10 -1.23 118.94 138.14 1ab7 s TRP 53 Ca 0.81 -0.53 0.00 0.00 1.22 0.00 0.00 56.10 57.60 1ab7 s TRP 53 Cb -0.07 -4.57 0.00 0.00 -1.50 0.00 0.00 33.47 27.32 1ab7 s TRP 53 CO 0.10 -1.92 0.00 0.54 -4.62 0.00 0.00 176.95 171.06 1ab7 n ARG 54 N 8.91 0.85 -1.58 5.86 1.74 0.11 -4.54 116.66 128.01 1ab7 n ARG 54 Ca 0.33 0.00 -0.61 0.00 -0.77 0.00 0.00 57.85 56.80 1ab7 n ARG 54 Cb 0.50 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.85 1ab7 n ARG 54 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1ab7 n GLN 55 N 0.00 0.49 0.01 5.56 6.02 -1.25 -4.76 117.38 123.44 1ab7 n GLN 55 Ca 0.00 0.17 -0.02 0.00 -0.01 0.00 0.00 57.00 57.13 1ab7 n GLN 55 Cb 0.00 -1.81 -0.01 0.00 1.02 0.00 0.00 30.24 29.44 1ab7 n GLN 55 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ab7 n PHE 56 N 6.06 0.00 -0.35 1.08 -0.00 -1.26 -2.48 117.46 120.50 1ab7 n PHE 56 Ca 0.37 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.83 1ab7 n PHE 56 Cb 0.04 -0.13 0.08 0.00 -0.00 0.00 0.00 39.48 39.47 1ab7 n PHE 56 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1ab7 h GLU 57 N -0.26 -0.01 0.03 -4.13 5.08 -1.97 -0.03 114.58 113.29 1ab7 h GLU 57 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ab7 h GLU 57 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1ab7 h GLU 57 CO 0.00 -0.01 -0.08 -0.56 -1.00 0.00 0.00 179.01 177.36 1ab7 h GLN 58 N -0.01 -0.12 0.00 2.33 -0.00 -1.95 0.57 115.11 115.93 1ab7 h GLN 58 Ca 0.39 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.05 1ab7 h GLN 58 Cb 0.64 0.03 0.00 0.00 -0.00 0.00 0.00 27.48 28.15 1ab7 h GLN 58 CO -0.97 -0.08 0.25 0.77 -0.00 0.00 0.00 178.83 178.80 1ab7 h SER 59 N -0.13 0.00 0.84 0.06 0.02 -1.64 0.01 113.55 112.70 1ab7 h SER 59 Ca -0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 1ab7 h SER 59 Cb 0.13 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1ab7 h SER 59 CO -0.04 0.00 -1.24 0.50 -1.14 0.00 0.00 176.83 174.91 1ab7 h LYS 60 N 0.00 0.00 0.00 3.45 3.11 0.56 -3.38 116.57 120.31 1ab7 h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1ab7 h LYS 60 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 1ab7 h LYS 60 CO 0.00 0.72 -0.05 0.37 -2.81 0.00 0.00 179.45 177.68 1ab7 h GLN 61 N 0.00 0.00 -1.07 1.90 4.15 0.11 -2.98 115.11 117.22 1ab7 h GLN 61 Ca -0.12 0.00 0.31 0.00 0.77 0.00 0.00 58.65 59.61 1ab7 h GLN 61 Cb 1.81 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.45 1ab7 h GLN 61 CO 0.10 0.00 1.15 1.47 -1.93 0.00 0.00 178.83 179.62 1ab7 n LEU 62 N -4.66 0.00 0.00 -2.39 -0.00 -1.14 -3.30 117.00 105.50 1ab7 n LEU 62 Ca -0.01 0.72 0.00 0.00 -0.00 0.00 0.00 56.01 56.73 1ab7 n LEU 62 Cb 0.02 -0.27 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 1ab7 n LEU 62 CO 0.01 -0.72 0.00 1.07 -0.00 0.00 0.00 177.39 177.75 1ab7 n THR 63 N -3.17 0.00 0.00 1.47 5.66 -1.25 -5.00 114.28 111.99 1ab7 n THR 63 Ca 0.24 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 1ab7 n THR 63 Cb 1.47 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 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 -0.58 1.09 0.28 -1.12 -4.95 120.64 115.35 1ab7 n GLU 64 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1ab7 n GLU 64 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 1ab7 n GLU 64 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1ab7 n ASN 65 N 0.00 -0.13 -0.02 -1.84 6.94 -1.26 -4.98 115.26 113.97 1ab7 n ASN 65 Ca 0.00 -0.27 -0.01 0.00 -0.02 0.00 0.00 54.58 54.28 1ab7 n ASN 65 Cb 0.00 0.04 -0.00 0.00 -2.36 0.00 0.00 39.78 37.46 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1ab7 h GLY 66 N 0.00 -0.06 1.07 4.83 0.00 -1.86 -2.74 103.07 104.31 1ab7 h GLY 66 Ca -0.07 0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 1ab7 h GLY 66 CO -0.04 -0.02 0.05 0.00 0.00 0.00 0.00 176.54 176.53 1ab7 h ALA 67 N -1.10 0.83 0.00 3.60 0.00 -1.88 -1.60 119.26 119.11 1ab7 h ALA 67 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ab7 h ALA 67 Cb 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1ab7 h ALA 67 CO 0.01 0.64 0.00 1.49 0.00 0.00 0.00 179.25 181.38 1ab7 h GLU 68 N 0.97 0.00 0.00 0.00 4.22 -1.91 -1.27 114.58 116.59 1ab7 h GLU 68 Ca 0.18 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.58 1ab7 h GLU 68 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1ab7 h GLU 68 CO 0.02 0.00 -0.32 1.03 -2.18 0.00 0.00 179.01 177.57 1ab7 h SER 69 N 0.00 0.00 -0.84 1.04 0.87 -0.98 -0.44 113.55 113.20 1ab7 h SER 69 Ca 0.00 -0.34 0.22 0.00 -1.23 0.00 0.00 61.79 60.44 1ab7 h SER 69 Cb 0.14 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 1ab7 h SER 69 CO 0.00 0.84 0.58 0.58 -0.53 0.00 0.00 176.83 178.31 1ab7 h VAL 70 N -1.00 0.64 -0.14 2.23 2.07 -1.29 0.50 116.25 119.26 1ab7 h VAL 70 Ca -0.06 -0.07 -0.16 0.00 0.82 0.00 0.00 66.70 67.23 1ab7 h VAL 70 Cb 0.58 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1ab7 h VAL 70 CO -0.03 0.04 -0.56 0.25 0.02 0.00 0.00 177.57 177.29 1ab7 h LEU 71 N 0.20 0.73 -1.73 2.57 5.85 -1.28 0.12 115.31 121.77 1ab7 h LEU 71 Ca 0.42 -0.62 0.20 0.00 0.84 0.00 0.00 57.88 58.72 1ab7 h LEU 71 Cb 1.34 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 1ab7 h LEU 71 CO -0.09 1.23 0.55 1.56 -0.34 0.00 0.00 178.44 181.35 1ab7 h GLN 72 N 0.27 0.23 0.00 1.25 4.20 0.17 0.45 115.11 121.69 1ab7 h GLN 72 Ca -0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1ab7 h GLN 72 Cb 1.19 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.92 1ab7 h GLN 72 CO 0.12 0.15 -0.07 0.28 -0.67 0.00 0.00 178.83 178.64 1ab7 h VAL 73 N 0.24 1.03 -0.27 -0.54 2.07 -0.92 -0.85 116.25 117.01 1ab7 h VAL 73 Ca 0.40 -1.80 0.06 0.00 0.82 0.00 0.00 66.70 66.19 1ab7 h VAL 73 Cb 1.21 1.97 -0.07 0.00 -1.52 0.00 0.00 31.29 32.88 1ab7 h VAL 73 CO -0.09 0.35 -0.27 -0.26 0.02 0.00 0.00 177.57 177.32 1ab7 h PHE 74 N -1.00 -0.72 -0.76 1.57 0.04 -0.28 0.37 116.94 116.16 1ab7 h PHE 74 Ca -0.02 0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.81 1ab7 h PHE 74 Cb 0.62 0.36 -0.04 0.00 2.20 0.00 0.00 35.95 39.09 1ab7 h PHE 74 CO 0.15 -0.34 0.50 0.00 -0.60 0.00 0.00 178.31 178.01 1ab7 h ARG 75 N -0.27 0.97 -0.01 1.51 3.08 -1.06 0.11 114.38 118.71 1ab7 h ARG 75 Ca 0.14 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ab7 h ARG 75 Cb 0.49 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1ab7 h ARG 75 CO -0.42 0.64 0.03 0.93 -1.07 0.00 0.00 179.97 180.08 1ab7 h GLU 76 N 1.00 0.00 0.00 0.04 5.08 0.96 0.11 114.58 121.77 1ab7 h GLU 76 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1ab7 h GLU 76 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1ab7 h GLU 76 CO -0.08 0.00 -0.06 0.00 -1.00 0.00 0.00 179.01 177.87 1ab7 h ALA 77 N 1.96 0.00 0.00 3.43 0.00 0.21 -1.36 119.26 123.49 1ab7 h ALA 77 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ab7 h ALA 77 Cb 0.06 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ab7 h ALA 77 CO -0.00 0.06 0.00 1.57 0.00 0.00 0.00 179.25 180.88 1ab7 h LYS 78 N -0.96 0.00 0.00 0.00 5.09 -1.03 0.36 116.57 120.03 1ab7 h LYS 78 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1ab7 h LYS 78 Cb 0.06 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.39 1ab7 h LYS 78 CO 0.00 0.00 -0.12 0.00 -2.09 0.00 0.00 179.45 177.24 1ab7 h ALA 79 N 2.00 0.00 0.15 0.07 0.00 -0.83 -3.41 119.26 117.23 1ab7 h ALA 79 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1ab7 h ALA 79 Cb 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1ab7 h ALA 79 CO 0.00 0.12 -0.45 0.93 0.00 0.00 0.00 179.25 179.85 1ab7 h GLU 80 N -0.34 -0.65 0.00 0.00 4.39 -1.12 -3.45 114.58 113.42 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 0.12 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1ab7 h GLU 80 CO 0.00 -0.44 0.00 0.41 -1.16 0.00 0.00 179.01 177.82 1ab7 n GLY 81 N -1.42 0.17 3.12 -3.84 0.00 -0.74 -5.09 105.19 97.39 1ab7 n GLY 81 Ca -0.08 -0.09 -0.37 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 -1.00 -4.34 -2.64 4.61 0.00 0.12 -4.85 120.51 112.41 1ab7 n ALA 82 Ca 0.00 -0.39 -0.34 0.00 0.00 0.00 0.00 53.44 52.70 1ab7 n ALA 82 Cb 0.00 -1.28 -0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 2.96 6.07 -4.92 0.00 8.00 -1.26 -3.91 116.55 123.49 1ab7 n ASP 83 Ca 0.03 -3.71 -0.30 0.00 0.71 0.00 0.00 54.79 51.52 1ab7 n ASP 83 Cb 0.52 -0.86 -0.04 0.00 -0.02 0.00 0.00 41.12 40.72 1ab7 n ASP 83 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ab7 s ILE 84 N -4.61 5.32 -0.85 0.53 1.01 -1.26 -1.10 121.20 120.23 1ab7 s ILE 84 Ca 0.45 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.66 1ab7 s ILE 84 Cb 0.28 -3.66 0.22 0.00 0.01 0.00 0.00 42.46 39.30 1ab7 s ILE 84 CO -0.18 0.04 0.76 -0.89 0.00 0.00 0.00 174.94 174.68 1ab7 s THR 85 N -1.62 4.96 -0.37 2.92 2.01 0.28 -4.63 115.64 119.18 1ab7 s THR 85 Ca 0.36 -3.09 -0.29 0.00 0.31 0.00 0.00 61.69 58.98 1ab7 s THR 85 Cb -0.12 -4.08 -0.00 0.00 0.01 0.00 0.00 72.50 68.31 1ab7 s THR 85 CO 0.28 -1.04 1.59 -0.63 -0.69 0.00 0.00 174.62 174.13 1ab7 s ILE 86 N -0.52 3.71 -0.18 1.82 1.09 -1.26 -1.01 121.20 124.84 1ab7 s ILE 86 Ca 0.22 0.72 -0.10 0.00 -1.10 0.00 0.00 60.65 60.40 1ab7 s ILE 86 Cb -0.12 -3.94 -0.05 0.00 -1.06 0.00 0.00 42.46 37.29 1ab7 s ILE 86 CO -0.08 -0.60 0.14 -0.63 -0.10 0.00 0.00 174.94 173.67 1ab7 s ILE 87 N 6.08 5.43 0.00 2.92 1.09 -0.60 -4.92 121.20 131.20 1ab7 s ILE 87 Ca 0.70 0.20 0.00 0.00 -1.10 0.00 0.00 60.65 60.45 1ab7 s ILE 87 Cb -0.18 -3.46 0.00 0.00 -1.06 0.00 0.00 42.46 37.76 1ab7 s ILE 87 CO 0.33 0.47 0.00 0.18 -0.10 0.00 0.00 174.94 175.82 1ab7 n LEU 88 N 3.24 0.18 0.00 2.97 4.77 -1.26 -2.71 117.00 124.19 1ab7 n LEU 88 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1ab7 n LEU 88 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1ab7 n LEU 88 CO 0.36 -0.21 0.00 -0.24 -1.33 0.00 0.00 177.39 175.97