#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab7 s LYS 2 N 0.00 0.35 0.24 1.97 2.20 -1.26 0.15 119.74 123.39 1ab7 s LYS 2 Ca 0.00 -0.83 -0.13 0.00 -0.36 0.00 0.00 55.97 54.65 1ab7 s LYS 2 Cb 0.00 -1.29 -0.08 0.00 -1.51 0.00 0.00 37.83 34.96 1ab7 s LYS 2 CO 0.00 -1.07 0.63 0.00 -0.36 0.00 0.00 175.35 174.54 1ab7 s ALA 3 N 1.74 3.47 -0.07 3.13 0.00 0.20 -4.86 121.76 125.37 1ab7 s ALA 3 Ca 0.12 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1ab7 s ALA 3 Cb -0.18 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.36 1ab7 s ALA 3 CO -0.25 0.42 -0.07 0.08 0.00 0.00 0.00 175.76 175.95 1ab7 s VAL 4 N -1.77 0.79 -0.19 0.00 1.01 -1.26 -0.65 120.40 118.33 1ab7 s VAL 4 Ca 0.47 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 1ab7 s VAL 4 Cb -0.12 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1ab7 s VAL 4 CO 0.20 0.30 0.27 -0.63 0.00 0.00 0.00 175.10 175.24 1ab7 s ILE 5 N 1.22 5.30 -0.28 2.22 -1.09 -0.49 -4.90 121.20 123.19 1ab7 s ILE 5 Ca -0.05 0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.84 1ab7 s ILE 5 Cb -0.14 -3.61 0.05 0.00 -1.58 0.00 0.00 42.46 37.18 1ab7 s ILE 5 CO -0.02 0.35 -0.05 0.20 -1.23 0.00 0.00 174.94 174.19 1ab7 s ASN 6 N 0.72 4.64 0.00 3.58 -0.87 -1.26 -1.24 114.94 120.51 1ab7 s ASN 6 Ca 0.14 -1.29 0.31 0.00 -1.57 0.00 0.00 52.86 50.45 1ab7 s ASN 6 Cb -0.13 -1.64 1.65 0.00 -0.02 0.00 0.00 41.25 41.11 1ab7 s ASN 6 CO 0.04 -0.22 2.10 0.61 -2.57 0.00 0.00 177.10 177.06 1ab7 n GLY 7 N 4.54 -1.05 0.00 0.66 0.00 -1.25 -1.08 105.19 107.02 1ab7 n GLY 7 Ca -0.14 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.04 0.96 -0.01 1.61 4.07 -1.26 -4.43 120.64 120.54 1ab7 n GLU 8 Ca 0.19 -0.06 0.02 0.00 -0.06 0.00 0.00 57.16 57.25 1ab7 n GLU 8 Cb 0.19 -1.37 -0.05 0.00 -0.06 0.00 0.00 31.44 30.16 1ab7 n GLU 8 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1ab7 n GLN 9 N -1.69 0.48 -2.36 5.31 7.27 -1.16 -4.87 117.38 120.36 1ab7 n GLN 9 Ca 0.01 -0.05 -0.38 0.00 0.07 0.00 0.00 57.00 56.65 1ab7 n GLN 9 Cb 0.35 -1.14 -0.03 0.00 2.41 0.00 0.00 30.24 31.82 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 -2.38 3.66 0.17 1.69 -1.09 -0.24 -4.82 121.20 118.18 1ab7 s ILE 10 Ca -0.02 -0.11 -0.15 0.00 -2.23 0.00 0.00 60.65 58.14 1ab7 s ILE 10 Cb 0.04 -4.60 0.07 0.00 -1.58 0.00 0.00 42.46 36.39 1ab7 s ILE 10 CO 0.24 -1.53 1.72 0.03 -1.23 0.00 0.00 174.94 174.18 1ab7 h ARG 11 N 11.19 0.20 -3.98 2.79 3.08 -1.89 -3.44 114.38 122.32 1ab7 h ARG 11 Ca -0.07 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 1ab7 h ARG 11 Cb 1.05 -0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.94 1ab7 h ARG 11 CO 1.30 0.13 -0.34 0.45 -1.07 0.00 0.00 179.97 180.44 1ab7 s SER 12 N -5.31 0.04 0.49 7.04 0.15 -1.26 -4.93 113.70 109.93 1ab7 s SER 12 Ca -0.13 -0.99 0.36 0.00 0.70 0.00 0.00 55.95 55.89 1ab7 s SER 12 Cb 0.14 0.45 1.52 0.00 -1.71 0.00 0.00 66.02 66.42 1ab7 s SER 12 CO 0.72 -0.93 1.65 -0.29 1.20 0.00 0.00 173.24 175.59 1ab7 h ILE 13 N 2.51 0.17 -0.15 6.45 -0.00 -1.87 0.28 117.51 124.90 1ab7 h ILE 13 Ca -0.31 -0.02 0.05 0.00 -0.00 0.00 0.00 64.86 64.57 1ab7 h ILE 13 Cb 1.23 0.10 -0.06 0.00 -0.00 0.00 0.00 36.82 38.09 1ab7 h ILE 13 CO 0.47 0.01 -0.27 0.28 -0.00 0.00 0.00 178.15 178.64 1ab7 h SER 14 N 0.07 -0.84 0.42 2.19 0.02 -1.95 0.23 113.55 113.68 1ab7 h SER 14 Ca 0.79 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.87 1ab7 h SER 14 Cb 2.79 0.37 -0.00 0.00 0.14 0.00 0.00 62.40 65.70 1ab7 h SER 14 CO -0.21 -0.31 -0.01 0.44 -1.14 0.00 0.00 176.83 175.60 1ab7 h ASP 15 N -0.33 0.00 0.60 3.07 5.19 -0.81 -2.34 116.42 121.80 1ab7 h ASP 15 Ca 0.11 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 1ab7 h ASP 15 Cb 0.49 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.00 1ab7 h ASP 15 CO -0.34 0.01 -0.29 0.25 -3.12 0.00 0.00 179.24 175.75 1ab7 h LEU 16 N 0.00 -0.68 -2.15 1.55 5.85 -0.36 0.66 115.31 120.17 1ab7 h LEU 16 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1ab7 h LEU 16 Cb 0.22 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1ab7 h LEU 16 CO 0.00 -0.36 0.00 0.45 -0.34 0.00 0.00 178.44 178.19 1ab7 h HIS 17 N -1.07 0.00 0.06 1.25 3.86 -1.20 0.26 115.15 118.31 1ab7 h HIS 17 Ca -0.08 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.88 1ab7 h HIS 17 Cb 0.62 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1ab7 h HIS 17 CO 0.02 0.00 -1.16 1.96 0.86 0.00 0.00 177.93 179.61 1ab7 h GLN 18 N 0.00 0.13 -0.06 2.45 4.20 -1.11 0.04 115.11 120.76 1ab7 h GLN 18 Ca 0.00 -0.22 -0.14 0.00 0.06 0.00 0.00 58.65 58.35 1ab7 h GLN 18 Cb 0.05 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1ab7 h GLN 18 CO 0.00 1.08 -0.57 1.15 -0.67 0.00 0.00 178.83 179.82 1ab7 h THR 19 N 0.04 1.39 0.11 -0.54 2.02 0.19 0.23 112.91 116.34 1ab7 h THR 19 Ca -0.09 -1.93 -0.27 0.00 0.77 0.00 0.00 66.41 64.90 1ab7 h THR 19 Cb 1.88 1.98 -0.00 0.00 -1.74 0.00 0.00 68.15 70.27 1ab7 h THR 19 CO 0.16 0.57 -1.21 -0.07 0.37 0.00 0.00 175.52 175.33 1ab7 h LEU 20 N 0.14 0.36 -1.13 2.58 3.38 -1.22 -1.53 115.31 117.88 1ab7 h LEU 20 Ca -0.00 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 1ab7 h LEU 20 Cb 1.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1ab7 h LEU 20 CO 0.09 1.30 -0.20 0.50 0.09 0.00 0.00 178.44 180.22 1ab7 h LYS 21 N 0.06 0.00 0.10 1.13 3.64 -0.68 0.13 116.57 120.96 1ab7 h LYS 21 Ca -0.12 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.02 1ab7 h LYS 21 Cb 1.94 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.76 1ab7 h LYS 21 CO 0.19 0.20 -1.21 -0.22 -2.27 0.00 0.00 179.45 176.14 1ab7 h LYS 22 N 0.00 0.22 0.09 1.90 3.64 -0.43 -1.70 116.57 120.30 1ab7 h LYS 22 Ca -0.00 -0.38 -0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1ab7 h LYS 22 Cb 0.73 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1ab7 h LYS 22 CO 0.03 1.18 -0.04 0.93 -2.27 0.00 0.00 179.45 179.27 1ab7 h GLU 23 N -0.41 -0.12 0.00 1.90 4.39 -1.24 -3.24 114.58 115.86 1ab7 h GLU 23 Ca -0.26 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.43 1ab7 h GLU 23 Cb 1.66 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.33 1ab7 h GLU 23 CO 0.05 0.29 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.04 1ab7 h LEU 24 N -0.96 0.00 -2.13 1.33 3.38 -0.94 -3.46 115.31 112.53 1ab7 h LEU 24 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1ab7 h LEU 24 Cb 0.46 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.26 1ab7 h LEU 24 CO 0.02 0.08 -0.19 0.00 0.09 0.00 0.00 178.44 178.44 1ab7 n ALA 25 N -2.44 -0.61 -1.86 1.53 0.00 -0.90 -4.79 120.51 111.44 1ab7 n ALA 25 Ca -0.03 -0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 1ab7 n ALA 25 Cb 0.16 -1.16 0.05 0.00 0.00 0.00 0.00 19.45 18.50 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 -3.19 2.90 0.00 0.00 1.43 -0.69 -5.01 118.68 114.12 1ab7 s LEU 26 Ca 0.03 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.29 1ab7 s LEU 26 Cb -0.00 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 42.25 1ab7 s LEU 26 CO 0.18 -1.36 0.00 -0.81 0.23 0.00 0.00 176.35 174.59 1ab7 n PRO 27 N -3.02 0.24 -0.07 1.29 -0.04 -1.26 -4.92 135.00 127.22 1ab7 n PRO 27 Ca 0.07 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.39 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 0.00 0.00 0.54 4.57 -2.00 -3.25 114.58 114.44 1ab7 h GLU 28 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 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 1.00 0.00 2.48 -1.18 0.00 0.00 179.01 181.31 1ab7 n TYR 29 N -4.60 0.31 -1.22 0.92 0.18 -1.26 -4.78 117.16 106.71 1ab7 n TYR 29 Ca -0.11 0.15 -0.47 0.00 1.88 0.00 0.00 57.90 59.35 1ab7 n TYR 29 Cb 0.49 -0.75 -0.06 0.00 -0.38 0.00 0.00 39.34 38.64 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 -1.81 0.44 -2.99 -3.48 9.36 -1.23 -4.86 117.16 112.59 1ab7 n TYR 30 Ca 0.00 0.86 -0.39 0.00 3.32 0.00 0.00 57.90 61.69 1ab7 n TYR 30 Cb 0.05 -1.70 -0.06 0.00 -0.63 0.00 0.00 39.34 36.99 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 2.90 -0.26 2.98 0.00 -1.26 -4.94 107.32 106.66 1ab7 s GLY 31 Ca 0.73 0.35 -0.04 0.00 0.00 0.00 0.00 44.72 45.75 1ab7 s GLY 31 CO 0.47 0.84 3.00 -1.84 0.00 0.00 0.00 173.10 175.56 1ab7 n GLU 32 N 1.52 2.15 -3.99 2.90 0.28 -1.26 -4.12 120.64 118.12 1ab7 n GLU 32 Ca -0.05 -1.70 -0.17 0.00 -0.16 0.00 0.00 57.16 55.08 1ab7 n GLU 32 Cb 0.49 -2.01 -0.06 0.00 1.43 0.00 0.00 31.44 31.29 1ab7 n GLU 32 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1ab7 n ASN 33 N 1.46 -0.84 -0.01 -1.84 2.04 -1.26 -4.99 115.26 109.81 1ab7 n ASN 33 Ca 0.43 -2.95 0.15 0.00 -0.44 0.00 0.00 54.58 51.77 1ab7 n ASN 33 Cb 0.69 1.79 0.71 0.00 -2.53 0.00 0.00 39.78 40.44 1ab7 n ASN 33 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ab7 n LEU 34 N 0.00 0.07 -0.07 -4.53 -0.00 -1.26 -1.92 117.00 109.29 1ab7 n LEU 34 Ca 0.05 0.27 -0.10 0.00 -0.00 0.00 0.00 56.01 56.24 1ab7 n LEU 34 Cb 0.56 -0.30 -0.08 0.00 -0.00 0.00 0.00 43.42 43.59 1ab7 n LEU 34 CO 0.28 0.01 0.18 -2.24 -0.00 0.00 0.00 177.39 175.63 1ab7 h ASP 35 N 0.07 0.00 0.49 1.45 2.03 -1.95 -0.74 116.42 117.76 1ab7 h ASP 35 Ca 0.00 -0.62 -0.19 0.00 -0.73 0.00 0.00 57.03 55.49 1ab7 h ASP 35 Cb 0.33 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.82 1ab7 h ASP 35 CO 0.00 0.86 -0.83 0.00 -1.03 0.00 0.00 179.24 178.24 1ab7 h ALA 36 N -0.38 0.56 0.15 4.15 0.00 -1.81 -0.30 119.26 121.62 1ab7 h ALA 36 Ca -0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 1ab7 h ALA 36 Cb 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ab7 h ALA 36 CO -0.01 0.86 -0.07 1.25 0.00 0.00 0.00 179.25 181.27 1ab7 h LEU 37 N 0.15 -0.17 -0.85 0.00 5.85 -1.52 0.17 115.31 118.94 1ab7 h LEU 37 Ca -0.04 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.45 1ab7 h LEU 37 Cb 1.43 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.46 1ab7 h LEU 37 CO 0.13 0.19 0.54 -0.25 -0.34 0.00 0.00 178.44 178.71 1ab7 h TRP 38 N -0.56 1.02 -0.42 1.25 2.91 -1.15 0.45 115.95 119.46 1ab7 h TRP 38 Ca -0.02 0.03 0.08 0.00 1.13 0.00 0.00 58.89 60.10 1ab7 h TRP 38 Cb 0.43 -0.34 -0.02 0.00 -0.51 0.00 0.00 29.16 28.72 1ab7 h TRP 38 CO 0.04 0.58 0.28 -0.44 -1.03 0.00 0.00 178.44 177.87 1ab7 h ASP 39 N 1.05 0.20 0.00 2.65 5.19 -0.73 -1.82 116.42 122.95 1ab7 h ASP 39 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 1ab7 h ASP 39 Cb 0.02 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1ab7 h ASP 39 CO -0.12 0.13 -0.01 0.00 -3.12 0.00 0.00 179.24 176.12 1ab7 h ALA 40 N 1.78 0.00 -0.27 3.45 0.00 0.27 -3.24 119.26 121.26 1ab7 h ALA 40 Ca 0.19 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1ab7 h ALA 40 Cb 0.46 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1ab7 h ALA 40 CO -0.03 0.01 -0.16 1.28 0.00 0.00 0.00 179.25 180.35 1ab7 n LEU 41 N -2.42 -0.28 -2.71 0.00 4.77 0.80 0.26 117.00 117.42 1ab7 n LEU 41 Ca -0.00 0.92 -0.27 0.00 -0.03 0.00 0.00 56.01 56.62 1ab7 n LEU 41 Cb 0.00 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 40.73 1ab7 n LEU 41 CO 0.00 -0.61 2.15 1.07 -1.33 0.00 0.00 177.39 178.68 1ab7 n THR 42 N -3.53 3.82 0.00 -5.08 5.66 -0.69 -3.33 114.28 111.13 1ab7 n THR 42 Ca 0.01 -2.69 0.00 0.00 -3.05 0.00 0.00 64.05 58.31 1ab7 n THR 42 Cb 0.07 -2.04 0.00 0.00 -1.55 0.00 0.00 70.33 66.81 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 2.14 0.00 0.06 1.09 0.00 0.28 -4.85 105.19 103.91 1ab7 n GLY 43 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.07 -1.39 1.61 -0.00 0.73 -4.63 117.44 113.69 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 0.01 0.10 0.00 -0.00 0.00 0.00 31.31 31.42 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 -1.12 3.19 -0.22 5.87 1.01 -0.82 -4.93 120.40 123.38 1ab7 s VAL 45 Ca 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 1ab7 s VAL 45 Cb 0.00 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.39 1ab7 s VAL 45 CO 0.00 -0.51 -0.09 -0.70 0.00 0.00 0.00 175.10 173.80 1ab7 s GLU 46 N -5.02 3.05 0.31 2.72 2.56 -1.26 -4.94 118.70 116.12 1ab7 s GLU 46 Ca 0.61 -0.83 0.03 0.00 0.00 0.00 0.00 54.97 54.78 1ab7 s GLU 46 Cb -0.16 -2.89 -0.03 0.00 2.00 0.00 0.00 34.13 33.05 1ab7 s GLU 46 CO 0.56 -0.29 0.48 0.71 -0.56 0.00 0.00 175.26 176.16 1ab7 s TYR 47 N 1.37 3.43 0.14 5.30 2.02 -1.26 -0.29 117.35 128.05 1ab7 s TYR 47 Ca 0.03 0.15 -0.30 0.00 -0.37 0.00 0.00 57.07 56.58 1ab7 s TYR 47 Cb -0.15 -1.81 -0.08 0.00 -0.40 0.00 0.00 41.96 39.52 1ab7 s TYR 47 CO -0.06 0.19 1.27 -1.25 -1.57 0.00 0.00 175.55 174.14 1ab7 s PRO 48 N -4.20 4.41 0.28 -1.71 0.04 -1.26 -4.78 135.00 127.78 1ab7 s PRO 48 Ca 0.39 1.94 0.07 0.00 0.04 0.00 0.00 61.00 63.44 1ab7 s PRO 48 Cb -0.09 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1ab7 s PRO 48 CO 0.33 -0.26 0.30 -1.17 0.04 0.00 0.00 177.00 176.24 1ab7 s LEU 49 N 0.47 3.92 -0.30 -3.56 2.96 -0.23 -1.90 118.68 120.03 1ab7 s LEU 49 Ca 0.58 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.29 1ab7 s LEU 49 Cb -0.34 -2.51 0.09 0.00 0.50 0.00 0.00 46.19 43.93 1ab7 s LEU 49 CO 0.33 -0.18 0.03 -0.69 -1.32 0.00 0.00 176.35 174.52 1ab7 s VAL 50 N -2.14 1.65 -1.30 1.68 1.01 0.12 -1.03 120.40 120.39 1ab7 s VAL 50 Ca 0.37 -1.74 -0.09 0.00 0.00 0.00 0.00 61.98 60.52 1ab7 s VAL 50 Cb -0.08 -2.13 0.15 0.00 0.00 0.00 0.00 36.38 34.33 1ab7 s VAL 50 CO 0.27 -0.47 1.94 -0.11 0.00 0.00 0.00 175.10 176.73 1ab7 n LEU 51 N 4.55 6.77 -4.57 3.92 7.94 -0.11 0.62 117.00 136.12 1ab7 n LEU 51 Ca -0.03 -4.62 -0.20 0.00 -1.11 0.00 0.00 56.01 50.05 1ab7 n LEU 51 Cb 0.43 -1.49 -0.07 0.00 0.53 0.00 0.00 43.42 42.82 1ab7 n LEU 51 CO 0.18 1.40 1.28 -0.70 -1.11 0.00 0.00 177.39 178.44 1ab7 s GLU 52 N 0.52 1.92 -0.52 1.96 2.12 0.18 -1.52 118.70 123.35 1ab7 s GLU 52 Ca 0.41 -0.29 -0.27 0.00 0.36 0.00 0.00 54.97 55.17 1ab7 s GLU 52 Cb 0.11 -5.00 0.03 0.00 0.26 0.00 0.00 34.13 29.52 1ab7 s GLU 52 CO -0.01 -4.35 1.10 -0.46 -0.54 0.00 0.00 175.26 171.00 1ab7 s TRP 53 N 13.37 2.75 0.00 5.30 -0.11 -1.13 -1.40 118.94 137.72 1ab7 s TRP 53 Ca 0.79 0.45 0.00 0.00 1.22 0.00 0.00 56.10 58.55 1ab7 s TRP 53 Cb -0.07 -4.34 0.00 0.00 -1.50 0.00 0.00 33.47 27.56 1ab7 s TRP 53 CO 0.09 -1.37 0.00 0.54 -4.62 0.00 0.00 176.95 171.59 1ab7 n ARG 54 N 7.91 2.93 -1.51 5.86 1.74 -0.37 -4.48 116.66 128.74 1ab7 n ARG 54 Ca 0.08 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.85 1ab7 n ARG 54 Cb 0.49 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.76 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 0.13 0.16 5.56 6.02 -1.26 -4.68 117.38 123.31 1ab7 n GLN 55 Ca 0.00 -0.07 0.03 0.00 -0.01 0.00 0.00 57.00 56.95 1ab7 n GLN 55 Cb 0.00 -1.64 0.17 0.00 1.02 0.00 0.00 30.24 29.79 1ab7 n GLN 55 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1ab7 h PHE 56 N 12.32 0.00 0.00 1.08 3.04 -1.82 -3.32 116.94 128.25 1ab7 h PHE 56 Ca -0.03 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1ab7 h PHE 56 Cb 1.21 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.72 1ab7 h PHE 56 CO 1.20 0.50 0.00 -1.91 -2.02 0.00 0.00 178.31 176.08 1ab7 n GLU 57 N -3.41 0.00 -0.68 1.11 0.00 -1.26 -3.95 120.64 112.45 1ab7 n GLU 57 Ca 0.01 0.60 -0.30 0.00 0.00 0.00 0.00 57.16 57.47 1ab7 n GLU 57 Cb 0.64 -1.36 0.19 0.00 0.00 0.00 0.00 31.44 30.92 1ab7 n GLU 57 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1ab7 s GLN 58 N -2.43 0.35 0.00 5.31 -2.07 -1.26 -2.88 119.66 116.68 1ab7 s GLN 58 Ca 0.00 1.26 0.00 0.00 -1.82 0.00 0.00 55.36 54.80 1ab7 s GLN 58 Cb 0.00 -1.67 0.00 0.00 -1.09 0.00 0.00 33.01 30.25 1ab7 s GLN 58 CO 0.00 -2.99 0.00 0.45 -1.32 0.00 0.00 175.29 171.43 1ab7 n SER 59 N -4.45 0.00 0.18 12.60 2.88 -1.26 -4.60 113.62 118.96 1ab7 n SER 59 Ca 0.08 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.73 1ab7 n SER 59 Cb 0.53 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.10 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 0.00 0.00 0.00 -1.46 3.64 -1.65 -3.36 116.57 113.74 1ab7 h LYS 60 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ab7 h LYS 60 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ab7 h LYS 60 CO 0.00 0.05 -0.00 0.37 -2.27 0.00 0.00 179.45 177.60 1ab7 h GLN 61 N 0.00 0.00 -1.38 1.90 5.75 -1.81 -3.33 115.11 116.24 1ab7 h GLN 61 Ca -0.00 0.00 0.40 0.00 -0.15 0.00 0.00 58.65 58.90 1ab7 h GLN 61 Cb 1.05 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.54 1ab7 h GLN 61 CO 0.01 0.00 0.98 1.28 -2.65 0.00 0.00 178.83 178.45 1ab7 n LEU 62 N -2.39 0.01 0.00 -2.39 4.32 -1.26 -4.10 117.00 111.19 1ab7 n LEU 62 Ca -0.00 0.73 0.00 0.00 -0.02 0.00 0.00 56.01 56.72 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 -2.88 -5.08 5.66 -1.25 -4.98 114.28 102.34 1ab7 n THR 63 Ca 0.31 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.28 1ab7 n THR 63 Cb 1.41 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.20 1ab7 n THR 63 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1ab7 s GLU 64 N 3.91 1.01 0.00 1.09 -1.05 -1.26 -4.89 118.70 117.52 1ab7 s GLU 64 Ca 0.00 -0.88 0.00 0.00 -0.15 0.00 0.00 54.97 53.94 1ab7 s GLU 64 Cb 0.00 -0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.66 1ab7 s GLU 64 CO 0.00 -1.30 0.00 -1.71 0.95 0.00 0.00 175.26 173.20 1ab7 n ASN 65 N 3.30 0.00 0.00 0.83 4.05 -1.26 -4.92 115.26 117.26 1ab7 n ASN 65 Ca 0.16 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.19 1ab7 n ASN 65 Cb 0.56 -0.05 0.00 0.00 1.23 0.00 0.00 39.78 41.53 1ab7 n ASN 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ab7 n GLY 66 N -2.00 -2.61 0.28 8.20 0.00 -1.26 -0.10 105.19 107.70 1ab7 n GLY 66 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.76 0.95 -0.07 4.61 0.00 -1.87 0.03 119.26 121.14 1ab7 h ALA 67 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ab7 h ALA 67 Cb 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ab7 h ALA 67 CO 0.00 0.27 0.14 0.93 0.00 0.00 0.00 179.25 180.59 1ab7 h GLU 68 N 0.92 0.00 0.00 0.00 5.08 -1.87 -1.21 114.58 117.49 1ab7 h GLU 68 Ca 0.29 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1ab7 h GLU 68 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1ab7 h GLU 68 CO -0.10 0.00 -0.42 0.66 -1.00 0.00 0.00 179.01 178.15 1ab7 h SER 69 N 0.00 0.00 -0.86 1.42 4.64 0.15 -1.06 113.55 117.83 1ab7 h SER 69 Ca 0.03 -0.61 0.23 0.00 -0.47 0.00 0.00 61.79 60.98 1ab7 h SER 69 Cb 0.31 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.36 1ab7 h SER 69 CO -0.00 1.05 0.60 0.58 -0.87 0.00 0.00 176.83 178.19 1ab7 h VAL 70 N -1.00 0.61 -0.04 0.95 2.07 -1.05 0.30 116.25 118.08 1ab7 h VAL 70 Ca -0.10 -0.05 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 1ab7 h VAL 70 Cb 0.89 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1ab7 h VAL 70 CO -0.06 0.03 -0.31 0.25 0.02 0.00 0.00 177.57 177.49 1ab7 h LEU 71 N 0.15 0.35 -1.95 2.57 5.85 -1.27 0.17 115.31 121.18 1ab7 h LEU 71 Ca 0.43 -0.68 0.16 0.00 0.84 0.00 0.00 57.88 58.63 1ab7 h LEU 71 Cb 1.45 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 1ab7 h LEU 71 CO -0.07 0.98 0.52 1.56 -0.34 0.00 0.00 178.44 181.08 1ab7 h GLN 72 N -0.26 0.00 0.03 1.25 4.20 0.91 0.21 115.11 121.44 1ab7 h GLN 72 Ca -0.03 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 1ab7 h GLN 72 Cb 0.99 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 1ab7 h GLN 72 CO 0.06 0.00 -0.75 0.28 -0.67 0.00 0.00 178.83 177.75 1ab7 h VAL 73 N 0.00 1.33 0.17 -0.54 2.07 -0.84 -0.17 116.25 118.27 1ab7 h VAL 73 Ca 0.27 -2.31 0.01 0.00 0.82 0.00 0.00 66.70 65.50 1ab7 h VAL 73 Cb 1.30 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 33.87 1ab7 h VAL 73 CO -0.00 0.52 -0.29 -0.26 0.02 0.00 0.00 177.57 177.56 1ab7 h PHE 74 N -0.85 -0.78 -0.78 1.57 0.04 0.39 0.46 116.94 116.99 1ab7 h PHE 74 Ca -0.19 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 1ab7 h PHE 74 Cb 1.28 0.32 -0.04 0.00 2.20 0.00 0.00 35.95 39.71 1ab7 h PHE 74 CO 0.18 -0.40 0.45 0.00 -0.60 0.00 0.00 178.31 177.94 1ab7 h ARG 75 N -0.54 1.07 -0.00 1.51 3.08 -1.16 0.80 114.38 119.14 1ab7 h ARG 75 Ca 0.02 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1ab7 h ARG 75 Cb 0.54 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1ab7 h ARG 75 CO -0.13 0.78 0.01 0.93 -1.07 0.00 0.00 179.97 180.48 1ab7 h GLU 76 N 1.07 0.00 0.00 0.04 5.08 0.43 0.12 114.58 121.32 1ab7 h GLU 76 Ca 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1ab7 h GLU 76 Cb -0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ab7 h GLU 76 CO -0.05 0.00 -0.07 0.00 -1.00 0.00 0.00 179.01 177.90 1ab7 h ALA 77 N 1.98 0.01 0.00 3.43 0.00 0.22 -0.99 119.26 123.91 1ab7 h ALA 77 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ab7 h ALA 77 Cb 0.02 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ab7 h ALA 77 CO -0.00 0.05 0.00 0.36 0.00 0.00 0.00 179.25 179.66 1ab7 n LYS 78 N -4.71 0.12 0.00 0.00 2.85 -0.58 0.10 118.16 115.95 1ab7 n LYS 78 Ca -0.05 0.56 0.00 0.00 -1.05 0.00 0.00 58.31 57.77 1ab7 n LYS 78 Cb 0.19 -1.85 0.00 0.00 -0.65 0.00 0.00 35.03 32.71 1ab7 n LYS 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ab7 n ALA 79 N -1.72 0.00 -0.13 0.58 0.00 0.38 -4.58 120.51 115.03 1ab7 n ALA 79 Ca -0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 1ab7 n ALA 79 Cb 0.07 0.00 -0.10 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 0.00 -0.37 0.00 0.00 4.39 -1.18 -3.44 114.58 113.99 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 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1ab7 h GLU 80 CO 0.00 -0.25 0.00 0.41 -1.16 0.00 0.00 179.01 178.01 1ab7 n GLY 81 N -1.36 0.14 3.09 -3.84 0.00 -0.86 -5.09 105.19 97.28 1ab7 n GLY 81 Ca -0.03 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1ab7 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab7 n ALA 82 N -0.90 -3.79 -2.72 4.61 0.00 0.29 -4.84 120.51 113.16 1ab7 n ALA 82 Ca 0.00 -0.24 -0.36 0.00 0.00 0.00 0.00 53.44 52.84 1ab7 n ALA 82 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 2.75 6.38 -4.77 0.00 8.00 -1.26 -3.76 116.55 123.89 1ab7 n ASP 83 Ca 0.05 -3.69 -0.32 0.00 0.71 0.00 0.00 54.79 51.54 1ab7 n ASP 83 Cb 0.49 -0.95 -0.07 0.00 -0.02 0.00 0.00 41.12 40.56 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 -4.42 4.57 -0.53 0.53 1.01 -1.26 -1.07 121.20 120.03 1ab7 s ILE 84 Ca 0.43 -0.60 -0.09 0.00 0.00 0.00 0.00 60.65 60.39 1ab7 s ILE 84 Cb 0.23 -3.14 0.14 0.00 0.01 0.00 0.00 42.46 39.70 1ab7 s ILE 84 CO -0.14 0.25 0.41 -0.89 0.00 0.00 0.00 174.94 174.56 1ab7 s THR 85 N -1.27 4.29 -0.36 2.92 2.01 -0.20 -4.50 115.64 118.53 1ab7 s THR 85 Ca 0.26 -2.04 -0.29 0.00 0.31 0.00 0.00 61.69 59.93 1ab7 s THR 85 Cb -0.12 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.61 1ab7 s THR 85 CO 0.17 -0.82 1.10 -0.63 -0.69 0.00 0.00 174.62 173.75 1ab7 s ILE 86 N 1.02 4.42 -0.14 1.82 1.09 -1.26 -0.93 121.20 127.21 1ab7 s ILE 86 Ca 0.09 1.59 -0.16 0.00 -1.10 0.00 0.00 60.65 61.06 1ab7 s ILE 86 Cb -0.24 -4.47 -0.04 0.00 -1.06 0.00 0.00 42.46 36.66 1ab7 s ILE 86 CO -0.02 -0.63 0.40 -0.63 -0.10 0.00 0.00 174.94 173.96 1ab7 s ILE 87 N 3.90 5.24 -0.19 2.92 -1.09 -0.58 -4.97 121.20 126.42 1ab7 s ILE 87 Ca 0.46 0.77 -0.04 0.00 -2.23 0.00 0.00 60.65 59.62 1ab7 s ILE 87 Cb -0.11 -3.74 0.09 0.00 -1.58 0.00 0.00 42.46 37.13 1ab7 s ILE 87 CO 0.20 0.35 0.26 -0.76 -1.23 0.00 0.00 174.94 173.76 1ab7 s LEU 88 N 0.61 -0.27 0.00 2.97 1.43 -1.26 -2.83 118.68 119.33 1ab7 s LEU 88 Ca 0.22 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1ab7 s LEU 88 Cb -0.14 0.62 0.00 0.00 0.03 0.00 0.00 46.19 46.69 1ab7 s LEU 88 CO 0.07 -0.30 0.00 -0.24 0.23 0.00 0.00 176.35 176.12