#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1se7 n TYR 2 N 0.00 0.00 -4.21 2.03 9.36 -1.26 -4.94 117.16 118.15 1se7 n TYR 2 Ca 0.00 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.97 1se7 n TYR 2 Cb 0.00 -1.58 -0.08 0.00 -0.63 0.00 0.00 39.34 37.06 1se7 n TYR 2 CO 0.00 0.00 0.00 0.16 0.22 0.00 0.00 176.86 177.24 1se7 s ASP 3 N -2.03 4.34 0.00 2.98 1.47 -1.26 -5.02 116.67 117.14 1se7 s ASP 3 Ca 0.00 -1.12 0.00 0.00 1.18 0.00 0.00 52.55 52.61 1se7 s ASP 3 Cb 0.00 -0.47 0.00 0.00 -0.34 0.00 0.00 42.92 42.11 1se7 s ASP 3 CO 0.00 -0.53 0.00 -2.67 0.68 0.00 0.00 175.17 172.65 1se7 n TRP 4 N -1.20 0.00 -0.09 2.11 2.14 -1.26 -4.98 117.44 114.16 1se7 n TRP 4 Ca -0.02 0.00 -0.18 0.00 2.07 0.00 0.00 57.50 59.37 1se7 n TRP 4 Cb 0.65 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 31.05 1se7 n TRP 4 CO 0.00 0.00 0.00 -2.95 2.07 0.00 0.00 177.69 176.81 1se7 h ASN 5 N 0.00 0.00 0.00 -0.67 -1.07 -2.02 -3.47 115.58 108.35 1se7 h ASN 5 Ca 0.00 -0.46 0.00 0.00 0.07 0.00 0.00 56.30 55.91 1se7 h ASN 5 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1se7 h ASN 5 CO 0.00 1.31 0.00 -0.38 0.07 0.00 0.00 177.43 178.43 1se7 n ILE 6 N -4.48 0.00 -3.56 6.14 5.41 -1.26 -4.84 119.36 116.77 1se7 n ILE 6 Ca -0.26 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.11 1se7 n ILE 6 Cb 0.58 -0.52 -0.05 0.00 -0.71 0.00 0.00 39.64 38.95 1se7 n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1se7 s ALA 7 N -0.92 4.35 -0.41 -1.39 0.00 -1.26 -4.90 121.76 117.23 1se7 s ALA 7 Ca 0.00 -3.81 0.05 0.00 0.00 0.00 0.00 51.96 48.20 1se7 s ALA 7 Cb 0.00 -3.02 0.17 0.00 0.00 0.00 0.00 23.12 20.27 1se7 s ALA 7 CO 0.00 -2.16 0.51 0.00 0.00 0.00 0.00 175.76 174.10 1se7 s ALA 8 N -1.26 -1.16 0.00 0.00 0.00 -1.26 -4.86 121.76 113.21 1se7 s ALA 8 Ca 0.28 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1se7 s ALA 8 Cb -0.08 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1se7 s ALA 8 CO -0.11 -2.17 0.00 1.17 0.00 0.00 0.00 175.76 174.65 1se7 n LYS 9 N 4.00 0.00 -2.12 0.00 3.00 -1.26 -4.93 118.16 116.85 1se7 n LYS 9 Ca 0.14 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.03 1se7 n LYS 9 Cb 0.51 -0.14 -0.03 0.00 0.00 0.00 0.00 35.03 35.37 1se7 n LYS 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1se7 s SER 10 N -2.04 6.78 0.18 3.14 0.15 -1.26 -4.84 113.70 115.80 1se7 s SER 10 Ca 0.00 2.36 -0.24 0.00 0.70 0.00 0.00 55.95 58.77 1se7 s SER 10 Cb 0.00 -2.58 0.07 0.00 -1.71 0.00 0.00 66.02 61.79 1se7 s SER 10 CO 0.00 -0.70 1.56 -0.61 1.20 0.00 0.00 173.24 174.70 1se7 h GLN 11 N 6.95 -0.16 -1.11 5.44 4.15 -1.99 0.50 115.11 128.89 1se7 h GLN 11 Ca -0.42 0.01 0.31 0.00 0.77 0.00 0.00 58.65 59.33 1se7 h GLN 11 Cb 1.21 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.88 1se7 h GLN 11 CO 0.88 -0.10 0.78 0.93 -1.93 0.00 0.00 178.83 179.39 1se7 h GLU 12 N -0.16 0.08 0.05 1.69 3.07 -2.01 0.47 114.58 117.76 1se7 h GLU 12 Ca 0.21 -0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.81 1se7 h GLU 12 Cb 0.55 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 1se7 h GLU 12 CO -0.76 0.05 -1.31 0.93 -1.40 0.00 0.00 179.01 176.52 1se7 h GLU 13 N 0.08 0.10 -0.37 2.33 4.39 -0.47 -3.28 114.58 117.37 1se7 h GLU 13 Ca 0.55 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 60.02 1se7 h GLU 13 Cb 2.02 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.72 1se7 h GLU 13 CO -0.07 0.96 -0.01 0.00 -1.16 0.00 0.00 179.01 178.73 1se7 h ARG 14 N 0.03 0.65 0.09 2.33 3.08 0.17 -1.63 114.38 119.10 1se7 h ARG 14 Ca -0.14 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 1se7 h ARG 14 Cb 1.91 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.90 1se7 h ARG 14 CO 0.14 0.76 -0.04 -0.44 -1.07 0.00 0.00 179.97 179.32 1se7 h ASP 15 N 0.47 -0.11 0.12 7.04 3.32 -1.38 -0.25 116.42 125.62 1se7 h ASP 15 Ca 0.10 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 1se7 h ASP 15 Cb 0.47 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1se7 h ASP 15 CO 0.02 -0.00 -0.57 0.11 -1.72 0.00 0.00 179.24 177.08 1se7 h LYS 16 N -0.20 0.47 0.02 3.56 1.57 -1.61 -3.09 116.57 117.28 1se7 h LYS 16 Ca -0.01 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.38 1se7 h LYS 16 Cb 0.17 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.52 1se7 h LYS 16 CO 0.02 0.91 -0.33 0.28 -0.57 0.00 0.00 179.45 179.76 1se7 h VAL 17 N 0.36 1.56 -0.29 0.50 2.07 -1.27 -1.46 116.25 117.72 1se7 h VAL 17 Ca 0.00 -2.09 0.08 0.00 0.82 0.00 0.00 66.70 65.52 1se7 h VAL 17 Cb 1.10 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 33.75 1se7 h VAL 17 CO 0.10 0.57 0.28 0.78 0.02 0.00 0.00 177.57 179.33 1se7 h ASN 18 N -0.51 0.00 0.66 0.57 -0.26 -1.13 0.47 115.58 115.37 1se7 h ASN 18 Ca -0.05 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.43 1se7 h ASN 18 Cb 1.12 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.35 1se7 h ASN 18 CO 0.06 0.00 -1.40 1.62 -1.06 0.00 0.00 177.43 176.65 1se7 h VAL 19 N 0.00 1.25 -0.61 2.81 3.04 -1.52 -2.05 116.25 119.17 1se7 h VAL 19 Ca 0.14 -2.99 -0.07 0.00 -1.01 0.00 0.00 66.70 62.77 1se7 h VAL 19 Cb 0.70 2.68 -0.02 0.00 -2.01 0.00 0.00 31.29 32.64 1se7 h VAL 19 CO -0.00 0.77 0.10 -0.78 -1.01 0.00 0.00 177.57 176.65 1se7 h ASP 20 N 0.02 0.97 0.68 3.17 1.82 0.90 -2.64 116.42 121.34 1se7 h ASP 20 Ca -0.18 -0.26 -0.22 0.00 -0.39 0.00 0.00 57.03 55.99 1se7 h ASP 20 Cb 1.93 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 41.67 1se7 h ASP 20 CO 0.12 0.98 -0.98 0.17 -1.61 0.00 0.00 179.24 177.93 1se7 h LEU 21 N 0.91 0.23 -0.56 2.28 8.10 -0.83 -3.00 115.31 122.45 1se7 h LEU 21 Ca 0.19 -0.21 0.11 0.00 0.11 0.00 0.00 57.88 58.07 1se7 h LEU 21 Cb 0.42 -0.07 -0.09 0.00 -0.44 0.00 0.00 40.66 40.48 1se7 h LEU 21 CO 0.01 1.07 -0.01 0.00 -4.11 0.00 0.00 178.44 175.41 1se7 h ALA 22 N 0.90 0.53 -0.25 0.17 0.00 -1.06 0.38 119.26 119.94 1se7 h ALA 22 Ca -0.06 0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1se7 h ALA 22 Cb 1.65 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1se7 h ALA 22 CO 0.15 -0.39 -0.39 0.00 0.00 0.00 0.00 179.25 178.62 1se7 h ALA 23 N 1.51 0.87 0.71 0.00 0.00 -1.52 -3.06 119.26 117.77 1se7 h ALA 23 Ca 0.29 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1se7 h ALA 23 Cb 0.45 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1se7 h ALA 23 CO -0.48 0.64 -0.37 1.03 0.00 0.00 0.00 179.25 180.07 1se7 h SER 24 N 0.47 -0.90 -0.82 0.00 0.87 -0.90 -2.66 113.55 109.60 1se7 h SER 24 Ca 0.04 0.04 0.15 0.00 -1.23 0.00 0.00 61.79 60.79 1se7 h SER 24 Cb 0.88 0.24 -0.10 0.00 -0.44 0.00 0.00 62.40 62.99 1se7 h SER 24 CO 0.08 -0.61 0.40 1.23 -0.53 0.00 0.00 176.83 177.39 1se7 h GLY 25 N -1.00 1.32 0.46 5.77 0.00 -1.09 0.50 103.07 109.04 1se7 h GLY 25 Ca -0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1se7 h GLY 25 CO 0.14 -0.06 -0.45 -2.08 0.00 0.00 0.00 176.54 174.09 1se7 h VAL 26 N 0.56 0.00 0.00 4.60 2.07 -1.45 -3.00 116.25 119.03 1se7 h VAL 26 Ca 0.45 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.89 1se7 h VAL 26 Cb 0.66 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1se7 h VAL 26 CO -0.38 0.00 -0.73 0.00 0.02 0.00 0.00 177.57 176.48 1se7 h ALA 27 N -1.03 0.10 -1.16 1.67 0.00 -1.20 -3.37 119.26 114.27 1se7 h ALA 27 Ca -0.06 -0.73 0.35 0.00 0.00 0.00 0.00 54.91 54.47 1se7 h ALA 27 Cb 0.78 0.54 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 1se7 h ALA 27 CO -0.05 0.53 0.74 1.88 0.00 0.00 0.00 179.25 182.35 1se7 h TYR 28 N -1.00 0.62 0.63 0.00 -1.99 -0.18 -2.27 116.97 112.79 1se7 h TYR 28 Ca -0.13 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.60 1se7 h TYR 28 Cb 0.78 -0.17 0.01 0.00 2.00 0.00 0.00 36.73 39.35 1se7 h TYR 28 CO -0.07 -0.08 -0.30 -0.22 -0.00 0.00 0.00 178.16 177.48 1se7 h LYS 29 N 0.24 -0.82 -0.00 4.88 3.11 -1.51 0.35 116.57 122.83 1se7 h LYS 29 Ca 0.71 0.06 0.00 0.00 -2.81 0.00 0.00 60.65 58.60 1se7 h LYS 29 Cb 2.00 0.19 0.00 0.00 -1.00 0.00 0.00 32.23 33.42 1se7 h LYS 29 CO -0.38 -0.55 0.00 0.39 -2.81 0.00 0.00 179.45 176.10 1se7 n GLU 30 N -5.25 0.22 0.08 1.90 1.02 -0.87 -3.47 120.64 114.28 1se7 n GLU 30 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1se7 n GLU 30 Cb 0.34 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 1se7 n GLU 30 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1se7 n ARG 31 N -0.50 0.00 0.00 3.49 3.00 -1.13 -4.77 116.66 116.75 1se7 n ARG 31 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1se7 n ARG 31 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 32.46 32.18 1se7 n ARG 31 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1se7 n LEU 32 N -3.42 0.00 -4.32 0.55 7.99 0.10 -3.08 117.00 114.83 1se7 n LEU 32 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 56.01 55.56 1se7 n LEU 32 Cb 0.03 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.34 1se7 n LEU 32 CO 0.00 0.00 0.74 0.21 -1.51 0.00 0.00 177.39 176.83 1se7 s ASN 33 N -0.51 7.21 -0.43 -1.43 2.47 -1.26 -4.75 114.94 116.25 1se7 s ASN 33 Ca 0.00 -3.62 0.03 0.00 0.42 0.00 0.00 52.86 49.69 1se7 s ASN 33 Cb 0.00 -2.18 0.16 0.00 -1.45 0.00 0.00 41.25 37.77 1se7 s ASN 33 CO 0.00 -0.28 0.31 -0.63 -3.72 0.00 0.00 177.10 172.78 1se7 s ILE 34 N -1.28 0.68 -0.99 -5.21 1.09 -1.26 -4.99 121.20 109.23 1se7 s ILE 34 Ca 0.30 -2.56 -0.23 0.00 -1.10 0.00 0.00 60.65 57.06 1se7 s ILE 34 Cb -0.10 -1.48 -0.01 0.00 -1.06 0.00 0.00 42.46 39.82 1se7 s ILE 34 CO -0.08 -1.11 1.74 -2.16 -0.10 0.00 0.00 174.94 173.23 1se7 s PRO 35 N 0.21 3.03 0.14 2.79 0.04 -1.26 -4.14 135.00 135.81 1se7 s PRO 35 Ca 0.26 -0.76 -0.13 0.00 0.04 0.00 0.00 61.00 60.41 1se7 s PRO 35 Cb -0.08 -5.22 0.02 0.00 0.04 0.00 0.00 34.50 29.26 1se7 s PRO 35 CO -0.12 -2.91 0.35 0.14 0.04 0.00 0.00 177.00 174.50 1se7 s VAL 36 N 7.86 0.08 -0.16 -0.36 -7.23 -1.26 -5.14 120.40 114.18 1se7 s VAL 36 Ca 0.60 -0.94 -0.17 0.00 -1.81 0.00 0.00 61.98 59.66 1se7 s VAL 36 Cb -0.03 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 1se7 s VAL 36 CO -0.03 -0.35 0.44 -0.63 -0.31 0.00 0.00 175.10 174.22 1se7 s ILE 37 N -3.87 5.20 0.22 -0.62 -1.09 -1.26 -4.96 121.20 114.82 1se7 s ILE 37 Ca 0.08 0.83 -0.08 0.00 -2.23 0.00 0.00 60.65 59.25 1se7 s ILE 37 Cb 0.02 -3.77 0.19 0.00 -1.58 0.00 0.00 42.46 37.32 1se7 s ILE 37 CO -0.07 0.29 1.85 0.00 -1.23 0.00 0.00 174.94 175.78 1se7 h ALA 38 N 6.98 1.08 0.00 9.38 0.00 -1.93 -2.20 119.26 132.57 1se7 h ALA 38 Ca -0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1se7 h ALA 38 Cb 1.17 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1se7 h ALA 38 CO 0.74 0.57 -0.05 1.05 0.00 0.00 0.00 179.25 181.56 1se7 h GLU 39 N 1.17 0.00 -0.61 0.00 4.11 -1.98 -2.65 114.58 114.62 1se7 h GLU 39 Ca 0.30 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.69 1se7 h GLU 39 Cb -0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1se7 h GLU 39 CO -0.05 0.05 0.21 0.37 0.07 0.00 0.00 179.01 179.66 1se7 h GLN 40 N 0.00 0.91 0.00 1.06 4.15 -1.81 -2.29 115.11 117.14 1se7 h GLN 40 Ca -0.00 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.26 1se7 h GLN 40 Cb 0.82 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.37 1se7 h GLN 40 CO 0.01 0.77 -0.65 -0.39 -1.93 0.00 0.00 178.83 176.63 1se7 h VAL 41 N 0.89 0.00 -0.11 2.39 -1.51 -1.48 -3.33 116.25 113.10 1se7 h VAL 41 Ca 0.20 -0.92 -0.05 0.00 -1.23 0.00 0.00 66.70 64.70 1se7 h VAL 41 Cb 0.23 1.58 -0.01 0.00 -2.13 0.00 0.00 31.29 30.95 1se7 h VAL 41 CO -0.01 0.00 -0.18 0.00 -1.23 0.00 0.00 177.57 176.15 1se7 h ALA 42 N 2.08 1.50 0.00 5.19 0.00 -1.05 -1.97 119.26 125.01 1se7 h ALA 42 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1se7 h ALA 42 Cb 0.96 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1se7 h ALA 42 CO 0.00 0.36 -0.61 2.89 0.00 0.00 0.00 179.25 181.89 1se7 n ARG 43 N -4.25 0.09 -0.26 0.00 -4.01 -1.15 -4.01 116.66 103.07 1se7 n ARG 43 Ca -0.01 0.02 0.08 0.00 -1.04 0.00 0.00 57.85 56.90 1se7 n ARG 43 Cb 0.29 -1.55 0.17 0.00 -3.04 0.00 0.00 32.46 28.34 1se7 n ARG 43 CO 0.00 0.00 0.00 -0.85 -3.04 0.00 0.00 177.63 173.74 1se7 n GLU 44 N -1.67 1.63 -3.27 2.89 0.28 -1.00 -4.93 120.64 114.58 1se7 n GLU 44 Ca 0.05 -2.77 -0.46 0.00 -0.16 0.00 0.00 57.16 53.81 1se7 n GLU 44 Cb 0.37 -1.60 -0.03 0.00 1.43 0.00 0.00 31.44 31.61 1se7 n GLU 44 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1se7 s GLN 45 N -2.95 3.48 -0.39 3.44 0.74 -0.78 -4.67 119.66 118.53 1se7 s GLN 45 Ca 0.35 -2.20 -0.41 0.00 0.05 0.00 0.00 55.36 53.15 1se7 s GLN 45 Cb 0.31 -4.45 -0.16 0.00 1.10 0.00 0.00 33.01 29.81 1se7 s GLN 45 CO 0.02 -1.36 1.94 -0.35 -0.55 0.00 0.00 175.29 174.99 1se7 n PRO 46 N 4.59 0.64 0.13 1.67 -0.04 -1.26 -4.82 135.00 135.91 1se7 n PRO 46 Ca 0.09 0.21 0.08 0.00 -0.04 0.00 0.00 63.50 63.84 1se7 n PRO 46 Cb 0.46 -1.93 0.57 0.00 -0.04 0.00 0.00 33.50 32.56 1se7 n PRO 46 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1se7 h GLU 47 N 8.61 0.19 -0.03 0.54 4.81 -1.96 -0.63 114.58 126.11 1se7 h GLU 47 Ca -0.32 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1se7 h GLU 47 Cb 1.35 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 1se7 h GLU 47 CO 1.01 0.12 0.05 -0.97 -0.73 0.00 0.00 179.01 178.50 1se7 h ASN 48 N 0.19 0.00 -0.04 1.04 -1.24 -1.98 -0.31 115.58 113.25 1se7 h ASN 48 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.10 1se7 h ASN 48 Cb 0.12 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.17 1se7 h ASN 48 CO -0.02 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.30 1se7 n LEU 49 N -3.53 2.45 0.30 0.34 7.99 -0.30 -4.67 117.00 119.57 1se7 n LEU 49 Ca -0.02 -2.77 0.18 0.00 -0.01 0.00 0.00 56.01 53.39 1se7 n LEU 49 Cb 0.13 -0.33 0.91 0.00 -0.11 0.00 0.00 43.42 44.03 1se7 n LEU 49 CO 0.24 0.66 1.15 -0.09 -1.51 0.00 0.00 177.39 177.84 1se7 h ARG 50 N 0.28 0.00 -0.15 3.23 2.43 -0.47 0.93 114.38 120.63 1se7 h ARG 50 Ca 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1se7 h ARG 50 Cb 0.91 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1se7 h ARG 50 CO 0.02 0.00 -0.17 1.15 -1.51 0.00 0.00 179.97 179.46 1se7 h THR 51 N 0.00 1.35 -0.02 0.20 2.02 -1.83 -2.96 112.91 111.67 1se7 h THR 51 Ca 0.03 -1.35 -0.00 0.00 0.77 0.00 0.00 66.41 65.86 1se7 h THR 51 Cb 0.51 1.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1se7 h THR 51 CO -0.00 0.40 0.01 0.22 0.37 0.00 0.00 175.52 176.52 1se7 h TYR 52 N 0.01 0.03 -0.94 3.16 3.20 -1.20 -2.56 116.97 118.66 1se7 h TYR 52 Ca 0.02 -0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.16 1se7 h TYR 52 Cb 0.72 -0.01 -0.14 0.00 1.54 0.00 0.00 36.73 38.84 1se7 h TYR 52 CO 0.09 0.18 0.42 0.35 -1.64 0.00 0.00 178.16 177.56 1se7 h PHE 53 N -0.14 0.68 -0.43 -3.82 3.57 -1.44 0.36 116.94 115.73 1se7 h PHE 53 Ca 0.01 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 1se7 h PHE 53 Cb 0.17 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1se7 h PHE 53 CO -0.02 -0.15 -0.29 0.52 -2.23 0.00 0.00 178.31 176.14 1se7 h MET 54 N 0.32 0.95 -0.09 1.11 2.86 -1.32 0.33 114.93 119.08 1se7 h MET 54 Ca 0.63 -0.44 0.03 0.00 -2.06 0.00 0.00 59.70 57.86 1se7 h MET 54 Cb 1.33 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.94 1se7 h MET 54 CO -0.60 1.11 -0.13 0.93 1.06 0.00 0.00 176.91 179.27 1se7 h GLU 55 N 0.80 -0.17 -0.11 1.72 5.08 0.07 0.28 114.58 122.25 1se7 h GLU 55 Ca 0.09 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 1se7 h GLU 55 Cb 0.87 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1se7 h GLU 55 CO 0.08 -0.11 -0.46 0.00 -1.00 0.00 0.00 179.01 177.52 1se7 h ARG 56 N -0.18 0.26 0.70 2.33 -0.00 -1.17 -2.55 114.38 113.77 1se7 h ARG 56 Ca 0.08 -0.14 -0.03 0.00 -0.50 0.00 0.00 59.98 59.39 1se7 h ARG 56 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.26 1se7 h ARG 56 CO -0.20 0.67 -0.45 1.25 0.00 0.00 0.00 179.97 181.24 1se7 h LEU 57 N 0.22 -1.15 -0.79 3.04 5.85 0.87 0.53 115.31 123.88 1se7 h LEU 57 Ca 0.01 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1se7 h LEU 57 Cb 0.89 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 1se7 h LEU 57 CO 0.07 -0.68 0.46 0.08 -0.34 0.00 0.00 178.44 178.03 1se7 h ARG 58 N -1.08 0.79 0.06 1.25 0.11 -0.53 -1.79 114.38 113.19 1se7 h ARG 58 Ca -0.09 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 59.94 1se7 h ARG 58 Cb 0.87 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.78 1se7 h ARG 58 CO 0.08 0.52 -0.03 1.25 0.10 0.00 0.00 179.97 181.89 1se7 h HIS 59 N 0.81 -0.08 -0.91 4.08 2.76 -1.31 -2.76 115.15 117.75 1se7 h HIS 59 Ca 0.36 -0.00 0.21 0.00 -2.20 0.00 0.00 60.37 58.74 1se7 h HIS 59 Cb 0.26 0.03 -0.07 0.00 1.55 0.00 0.00 27.41 29.17 1se7 h HIS 59 CO -0.06 0.15 0.60 1.88 -1.30 0.00 0.00 177.93 179.21 1se7 h TYR 60 N -0.30 0.57 -0.47 5.26 0.05 0.49 0.22 116.97 122.78 1se7 h TYR 60 Ca -0.01 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 1se7 h TYR 60 Cb 0.27 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 1se7 h TYR 60 CO -0.00 0.14 0.16 0.00 -1.05 0.00 0.00 178.16 177.41 1se7 h ARG 61 N 0.42 0.73 -0.70 4.88 3.08 -1.05 1.04 114.38 122.77 1se7 h ARG 61 Ca 0.48 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 1se7 h ARG 61 Cb 1.18 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 1se7 h ARG 61 CO -0.19 0.69 0.35 1.96 -1.07 0.00 0.00 179.97 181.70 1se7 h GLN 62 N 0.63 0.99 0.00 0.04 4.20 -0.78 -1.49 115.11 118.70 1se7 h GLN 62 Ca 0.15 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1se7 h GLN 62 Cb 0.25 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1se7 h GLN 62 CO -0.01 0.76 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.43 1se7 h LEU 63 N 0.99 0.00 -1.66 1.46 3.38 -1.04 -3.15 115.31 115.29 1se7 h LEU 63 Ca 0.25 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1se7 h LEU 63 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1se7 h LEU 63 CO -0.03 0.01 -0.01 0.77 0.09 0.00 0.00 178.44 179.27 1se7 h SER 64 N 0.00 0.18 0.08 -0.43 4.64 0.22 0.59 113.55 118.82 1se7 h SER 64 Ca 0.00 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.17 1se7 h SER 64 Cb 0.94 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.99 1se7 h SER 64 CO 0.00 0.23 -0.62 -0.07 -0.87 0.00 0.00 176.83 175.50 1se7 h LEU 65 N 0.19 0.26 -0.11 5.97 3.38 -1.51 -3.38 115.31 120.11 1se7 h LEU 65 Ca 0.05 -0.93 -0.03 0.00 0.09 0.00 0.00 57.88 57.06 1se7 h LEU 65 Cb 0.16 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1se7 h LEU 65 CO 0.00 1.28 -0.04 0.06 0.09 0.00 0.00 178.44 179.84 1se7 h GLN 66 N -0.63 0.22 -6.41 1.13 -0.00 -1.46 -3.46 115.11 104.51 1se7 h GLN 66 Ca -0.12 -0.09 -0.46 0.00 -0.00 0.00 0.00 58.65 57.97 1se7 h GLN 66 Cb 1.40 -0.01 0.24 0.00 -0.00 0.00 0.00 27.48 29.11 1se7 h GLN 66 CO 0.06 0.54 -1.72 1.28 -0.00 0.00 0.00 178.83 179.00 1se7 n LEU 67 N -4.74 -2.60 0.00 0.06 4.32 0.20 -4.98 117.00 109.27 1se7 n LEU 67 Ca -0.06 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 1se7 n LEU 67 Cb 0.25 -0.78 0.00 0.00 -1.62 0.00 0.00 43.42 41.28 1se7 n LEU 67 CO 0.36 -2.85 0.00 -0.81 -1.22 0.00 0.00 177.39 172.88 1se7 n PRO 68 N -0.35 0.05 0.00 3.23 -0.04 -1.26 -4.35 135.00 132.28 1se7 n PRO 68 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1se7 n PRO 68 Cb 0.67 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.13 1se7 n PRO 68 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1se7 n LYS 69 N -0.65 0.00 0.00 0.54 4.76 -1.26 -4.60 118.16 116.95 1se7 n LYS 69 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1se7 n LYS 69 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1se7 n LYS 69 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1se7 n GLY 70 N 0.00 1.60 6.83 0.72 0.00 -1.22 -5.00 105.19 108.12 1se7 n GLY 70 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1se7 n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1se7 n SER 71 N 0.00 -5.16 -4.69 1.61 2.88 -1.18 -4.72 113.62 102.36 1se7 n SER 71 Ca 0.00 0.04 -0.36 0.00 -1.33 0.00 0.00 58.87 57.22 1se7 n SER 71 Cb 0.00 -0.12 0.08 0.00 -0.75 0.00 0.00 64.21 63.42 1se7 n SER 71 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1se7 n ASP 72 N -3.19 1.53 -0.11 -3.46 8.00 -1.26 -4.87 116.55 113.19 1se7 n ASP 72 Ca 0.00 0.77 -0.08 0.00 0.71 0.00 0.00 54.79 56.20 1se7 n ASP 72 Cb 0.02 -1.50 -0.06 0.00 -0.02 0.00 0.00 41.12 39.56 1se7 n ASP 72 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1se7 h PRO 73 N 0.24 -0.18 -0.54 -0.24 0.11 -2.01 0.59 132.00 129.96 1se7 h PRO 73 Ca -0.50 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1se7 h PRO 73 Cb 1.34 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.49 1se7 h PRO 73 CO 0.51 -0.12 0.00 0.00 -0.21 0.00 0.00 178.00 178.18 1se7 n ALA 74 N -2.96 2.67 -0.68 -0.75 0.00 -1.26 -5.02 120.51 112.51 1se7 n ALA 74 Ca -0.01 -0.43 0.05 0.00 0.00 0.00 0.00 53.44 53.05 1se7 n ALA 74 Cb 0.19 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 1se7 n ALA 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1se7 n TYR 75 N 0.12 -2.18 -3.43 0.00 4.02 0.20 -4.60 117.16 111.30 1se7 n TYR 75 Ca 0.07 0.46 -0.40 0.00 -0.01 0.00 0.00 57.90 58.02 1se7 n TYR 75 Cb 0.33 -0.75 -0.09 0.00 -0.02 0.00 0.00 39.34 38.81 1se7 n TYR 75 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1se7 s GLN 76 N -0.75 3.73 -0.73 -0.72 1.11 -1.26 -4.88 119.66 116.15 1se7 s GLN 76 Ca 0.00 -0.29 -0.21 0.00 0.01 0.00 0.00 55.36 54.87 1se7 s GLN 76 Cb 0.00 -3.75 0.09 0.00 -1.01 0.00 0.00 33.01 28.35 1se7 s GLN 76 CO 0.00 -0.41 0.98 0.15 0.01 0.00 0.00 175.29 176.01 1se7 s LYS 77 N 1.99 3.25 -0.05 2.91 1.02 -1.26 -4.82 119.74 122.78 1se7 s LYS 77 Ca 0.12 -1.18 0.16 0.00 0.02 0.00 0.00 55.97 55.09 1se7 s LYS 77 Cb -0.16 -4.44 -0.21 0.00 -0.52 0.00 0.00 37.83 32.49 1se7 s LYS 77 CO 0.11 -1.77 0.53 -3.47 -0.92 0.00 0.00 175.35 169.83 1se7 n ASP 78 N 7.17 0.55 -0.95 2.83 2.03 -1.26 -4.03 116.55 122.89 1se7 n ASP 78 Ca 0.04 0.25 0.07 0.00 0.52 0.00 0.00 54.79 55.67 1se7 n ASP 78 Cb 0.46 0.48 0.21 0.00 -0.72 0.00 0.00 41.12 41.55 1se7 n ASP 78 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1se7 n ASP 79 N -2.85 2.75 -2.38 1.67 9.92 -1.26 -4.90 116.55 119.50 1se7 n ASP 79 Ca -0.18 -2.10 -0.19 0.00 -0.53 0.00 0.00 54.79 51.78 1se7 n ASP 79 Cb 0.97 -0.37 -0.01 0.00 -0.64 0.00 0.00 41.12 41.08 1se7 n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1se7 n ALA 80 N 0.77 -0.64 -2.95 2.24 0.00 -1.26 -4.95 120.51 113.72 1se7 n ALA 80 Ca 0.16 0.16 -0.38 0.00 0.00 0.00 0.00 53.44 53.38 1se7 n ALA 80 Cb 0.47 -2.07 -0.12 0.00 0.00 0.00 0.00 19.45 17.74 1se7 n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1se7 s VAL 81 N -2.95 4.42 0.39 0.00 1.01 -1.26 -5.07 120.40 116.93 1se7 s VAL 81 Ca 0.00 -0.54 -0.27 0.00 0.00 0.00 0.00 61.98 61.16 1se7 s VAL 81 Cb 0.00 -3.28 -0.10 0.00 0.00 0.00 0.00 36.38 33.00 1se7 s VAL 81 CO 0.00 0.04 1.44 -1.59 0.00 0.00 0.00 175.10 174.99 1se7 s LYS 82 N 1.57 4.01 0.00 2.72 -2.85 -1.26 -4.89 119.74 119.04 1se7 s LYS 82 Ca 0.04 2.48 0.00 0.00 -1.00 0.00 0.00 55.97 57.48 1se7 s LYS 82 Cb -0.17 -2.88 0.00 0.00 -2.06 0.00 0.00 37.83 32.72 1se7 s LYS 82 CO 0.05 -0.58 0.00 1.17 0.10 0.00 0.00 175.35 176.09