#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1se7 s TYR 2 N 0.00 3.47 0.64 2.03 2.02 -1.26 -5.08 117.35 119.18 1se7 s TYR 2 Ca 0.00 1.17 -0.03 0.00 -0.37 0.00 0.00 57.07 57.84 1se7 s TYR 2 Cb 0.00 -2.55 0.06 0.00 -0.40 0.00 0.00 41.96 39.06 1se7 s TYR 2 CO 0.00 -0.21 0.92 -0.51 -1.57 0.00 0.00 175.55 174.17 1se7 s ASP 3 N -3.20 4.95 0.00 2.29 1.01 -1.26 -5.11 116.67 115.35 1se7 s ASP 3 Ca 0.53 0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.99 1se7 s ASP 3 Cb -0.10 -0.92 0.00 0.00 1.01 0.00 0.00 42.92 42.91 1se7 s ASP 3 CO 0.33 -1.44 0.00 1.87 0.21 0.00 0.00 175.17 176.13 1se7 n TRP 4 N -2.68 0.00 -4.42 4.23 -0.00 -1.26 -5.00 117.44 108.31 1se7 n TRP 4 Ca 0.09 0.00 -0.40 0.00 -0.00 0.00 0.00 57.50 57.18 1se7 n TRP 4 Cb 0.60 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.84 1se7 n TRP 4 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1se7 n ASN 5 N 0.00 -2.01 0.28 5.87 0.23 -1.26 -4.76 115.26 113.60 1se7 n ASN 5 Ca 0.00 -1.15 0.16 0.00 -0.53 0.00 0.00 54.58 53.06 1se7 n ASN 5 Cb 0.00 -1.74 0.77 0.00 -2.08 0.00 0.00 39.78 36.73 1se7 n ASN 5 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1se7 h ILE 6 N -0.92 0.26 -0.19 1.53 2.04 -2.03 -2.18 117.51 116.02 1se7 h ILE 6 Ca -0.57 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 1se7 h ILE 6 Cb 1.37 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 1se7 h ILE 6 CO 0.85 0.07 0.05 0.00 0.00 0.00 0.00 178.15 179.12 1se7 n ALA 7 N -2.17 3.01 -3.79 1.87 0.00 -1.26 -4.76 120.51 113.41 1se7 n ALA 7 Ca -0.01 -0.60 -0.34 0.00 0.00 0.00 0.00 53.44 52.49 1se7 n ALA 7 Cb 0.26 -1.06 -0.15 0.00 0.00 0.00 0.00 19.45 18.50 1se7 n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1se7 s ALA 8 N -1.32 2.62 -0.00 0.00 0.00 -0.82 -4.97 121.76 117.26 1se7 s ALA 8 Ca 0.15 -1.31 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 1se7 s ALA 8 Cb 0.12 -1.53 -0.00 0.00 0.00 0.00 0.00 23.12 21.70 1se7 s ALA 8 CO 0.04 -0.57 -0.00 1.63 0.00 0.00 0.00 175.76 176.86 1se7 n LYS 9 N 4.69 0.00 -0.60 0.00 4.01 -1.26 -4.88 118.16 120.11 1se7 n LYS 9 Ca -0.18 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.32 1se7 n LYS 9 Cb 0.49 -0.22 0.22 0.00 -0.51 0.00 0.00 35.03 35.01 1se7 n LYS 9 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1se7 s SER 10 N -4.60 1.73 -0.04 4.39 0.01 -1.26 -4.82 113.70 109.10 1se7 s SER 10 Ca -0.00 1.79 -0.25 0.00 1.31 0.00 0.00 55.95 58.80 1se7 s SER 10 Cb 0.00 -2.42 -0.22 0.00 0.21 0.00 0.00 66.02 63.60 1se7 s SER 10 CO 0.00 -3.78 1.12 -0.61 0.41 0.00 0.00 173.24 170.38 1se7 h GLN 11 N -2.33 0.11 0.00 12.44 4.15 -1.99 -2.08 115.11 125.40 1se7 h GLN 11 Ca -0.54 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 58.78 1se7 h GLN 11 Cb 1.31 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 29.01 1se7 h GLN 11 CO 0.47 0.75 -0.06 1.49 -1.93 0.00 0.00 178.83 179.55 1se7 h GLU 12 N -0.51 0.00 0.16 1.69 4.81 -2.00 -1.76 114.58 116.96 1se7 h GLU 12 Ca -0.01 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.95 1se7 h GLU 12 Cb 0.78 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.17 1se7 h GLU 12 CO 0.02 0.06 -1.29 0.93 -0.73 0.00 0.00 179.01 178.00 1se7 h GLU 13 N 0.00 0.33 -0.42 1.92 5.08 -1.92 -3.21 114.58 116.36 1se7 h GLU 13 Ca -0.00 -0.56 -0.14 0.00 -1.00 0.00 0.00 59.36 57.66 1se7 h GLU 13 Cb 0.17 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1se7 h GLU 13 CO 0.01 1.27 -0.27 0.07 -1.00 0.00 0.00 179.01 179.09 1se7 h ARG 14 N -0.20 0.93 -0.37 2.33 0.11 -1.10 -1.09 114.38 114.99 1se7 h ARG 14 Ca -0.25 -0.43 -0.09 0.00 0.10 0.00 0.00 59.98 59.31 1se7 h ARG 14 Cb 1.84 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.89 1se7 h ARG 14 CO 0.14 1.09 -0.11 -0.44 0.10 0.00 0.00 179.97 180.75 1se7 h ASP 15 N 0.76 0.73 0.53 0.08 3.32 -1.49 -0.96 116.42 119.39 1se7 h ASP 15 Ca 0.09 -0.37 -0.27 0.00 0.02 0.00 0.00 57.03 56.49 1se7 h ASP 15 Cb 0.85 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.21 1se7 h ASP 15 CO 0.07 0.94 -1.20 0.11 -1.72 0.00 0.00 179.24 177.44 1se7 h LYS 16 N 0.52 0.33 0.11 3.56 1.57 -1.58 -3.26 116.57 117.81 1se7 h LYS 16 Ca 0.09 -0.51 -0.21 0.00 -1.87 0.00 0.00 60.65 58.15 1se7 h LYS 16 Cb 0.63 0.18 0.02 0.00 0.08 0.00 0.00 32.23 33.14 1se7 h LYS 16 CO 0.04 1.22 -0.90 0.28 -0.57 0.00 0.00 179.45 179.52 1se7 h VAL 17 N 0.12 1.42 0.00 0.50 2.07 -1.24 -2.56 116.25 116.56 1se7 h VAL 17 Ca -0.13 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 64.98 1se7 h VAL 17 Cb 1.90 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 34.59 1se7 h VAL 17 CO 0.20 0.70 0.06 0.78 0.02 0.00 0.00 177.57 179.33 1se7 h ASN 18 N -0.12 0.00 0.50 0.57 -0.26 -1.31 0.25 115.58 115.22 1se7 h ASN 18 Ca -0.14 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.33 1se7 h ASN 18 Cb 1.65 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.86 1se7 h ASN 18 CO 0.17 0.00 -1.68 0.55 -1.06 0.00 0.00 177.43 175.41 1se7 n VAL 19 N -2.96 1.48 -0.08 2.81 3.14 -1.20 -1.91 118.33 119.61 1se7 n VAL 19 Ca -0.03 -0.77 -0.15 0.00 -2.96 0.00 0.00 64.34 60.43 1se7 n VAL 19 Cb 0.12 -0.92 -0.05 0.00 -1.06 0.00 0.00 33.84 31.93 1se7 n VAL 19 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1se7 h ASP 20 N 0.00 0.94 0.83 6.55 1.82 -0.18 -2.96 116.42 123.41 1se7 h ASP 20 Ca -0.27 -0.53 -0.22 0.00 -0.39 0.00 0.00 57.03 55.61 1se7 h ASP 20 Cb 1.92 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 41.64 1se7 h ASP 20 CO 0.07 1.30 -1.02 0.17 -1.61 0.00 0.00 179.24 178.14 1se7 h LEU 21 N 0.61 0.14 -0.40 2.28 8.10 -1.04 -2.95 115.31 122.05 1se7 h LEU 21 Ca 0.01 -0.14 0.08 0.00 0.11 0.00 0.00 57.88 57.94 1se7 h LEU 21 Cb 1.13 -0.05 -0.08 0.00 -0.44 0.00 0.00 40.66 41.22 1se7 h LEU 21 CO 0.12 1.07 -0.15 0.00 -4.11 0.00 0.00 178.44 175.37 1se7 h ALA 22 N 0.91 0.18 -0.56 0.17 0.00 -1.32 -0.61 119.26 118.03 1se7 h ALA 22 Ca -0.05 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1se7 h ALA 22 Cb 1.75 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.91 1se7 h ALA 22 CO 0.15 -0.51 -0.05 0.00 0.00 0.00 0.00 179.25 178.84 1se7 h ALA 23 N 1.27 0.76 -0.56 0.00 0.00 -1.59 -3.08 119.26 116.06 1se7 h ALA 23 Ca 0.20 -0.33 0.11 0.00 0.00 0.00 0.00 54.91 54.89 1se7 h ALA 23 Cb 0.37 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 1se7 h ALA 23 CO -0.45 0.64 0.06 0.77 0.00 0.00 0.00 179.25 180.26 1se7 h SER 24 N 0.91 -0.13 -0.26 0.00 0.02 -0.98 -2.61 113.55 110.50 1se7 h SER 24 Ca 0.15 0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.17 1se7 h SER 24 Cb 0.61 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 1se7 h SER 24 CO 0.04 -0.05 -0.06 1.23 -1.14 0.00 0.00 176.83 176.86 1se7 h GLY 25 N 0.18 0.53 0.41 -3.77 0.00 -1.16 -2.11 103.07 97.15 1se7 h GLY 25 Ca 0.29 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1se7 h GLY 25 CO -0.43 0.40 -0.41 -0.39 0.00 0.00 0.00 176.54 175.71 1se7 h VAL 26 N 0.24 0.00 0.00 4.60 -1.51 -1.39 -3.03 116.25 115.16 1se7 h VAL 26 Ca 0.07 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 65.34 1se7 h VAL 26 Cb 0.52 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.65 1se7 h VAL 26 CO 0.02 0.00 -1.11 0.00 -1.23 0.00 0.00 177.57 175.25 1se7 h ALA 27 N -1.08 0.22 -1.13 5.19 0.00 -1.65 -3.32 119.26 117.50 1se7 h ALA 27 Ca -0.05 -1.10 0.33 0.00 0.00 0.00 0.00 54.91 54.09 1se7 h ALA 27 Cb 0.71 0.68 -0.11 0.00 0.00 0.00 0.00 17.79 19.06 1se7 h ALA 27 CO -0.05 0.65 0.72 -0.92 0.00 0.00 0.00 179.25 179.65 1se7 h TYR 28 N -1.00 0.65 0.33 0.00 3.20 -1.55 -1.80 116.97 116.80 1se7 h TYR 28 Ca -0.29 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.59 1se7 h TYR 28 Cb 1.19 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.29 1se7 h TYR 28 CO 0.07 -0.06 -0.16 -0.22 -1.64 0.00 0.00 178.16 176.15 1se7 h LYS 29 N 0.28 -0.43 0.00 1.82 3.64 -1.55 -1.46 116.57 118.87 1se7 h LYS 29 Ca 0.69 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 60.10 1se7 h LYS 29 Cb 1.89 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.81 1se7 h LYS 29 CO -0.38 -0.28 0.00 0.39 -2.27 0.00 0.00 179.45 176.91 1se7 n GLU 30 N -5.05 0.32 0.04 1.90 -0.58 -0.84 -3.59 120.64 112.83 1se7 n GLU 30 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1se7 n GLU 30 Cb 0.17 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 1se7 n GLU 30 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1se7 n ARG 31 N -0.63 0.00 0.00 3.49 3.00 -0.74 -4.93 116.66 116.85 1se7 n ARG 31 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.86 1se7 n ARG 31 Cb 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 32.46 32.19 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 -3.13 0.00 -3.75 0.55 7.99 -0.55 -1.32 117.00 116.79 1se7 n LEU 32 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 56.01 55.72 1se7 n LEU 32 Cb 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.20 1se7 n LEU 32 CO 0.00 0.00 -0.12 0.21 -1.51 0.00 0.00 177.39 175.97 1se7 s ASN 33 N -1.00 3.82 -0.26 -1.43 2.47 -1.26 -4.81 114.94 112.48 1se7 s ASN 33 Ca 0.00 -3.61 -0.01 0.00 0.42 0.00 0.00 52.86 49.66 1se7 s ASN 33 Cb 0.00 -1.28 0.08 0.00 -1.45 0.00 0.00 41.25 38.60 1se7 s ASN 33 CO 0.00 -0.11 0.05 -0.63 -3.72 0.00 0.00 177.10 172.69 1se7 s ILE 34 N -0.98 0.91 -1.05 -5.21 1.09 -1.26 -5.02 121.20 109.68 1se7 s ILE 34 Ca 0.27 -1.11 -0.22 0.00 -1.10 0.00 0.00 60.65 58.49 1se7 s ILE 34 Cb -0.03 -1.51 0.06 0.00 -1.06 0.00 0.00 42.46 39.93 1se7 s ILE 34 CO -0.17 -0.42 1.46 -2.16 -0.10 0.00 0.00 174.94 173.55 1se7 s PRO 35 N 1.64 3.64 0.14 2.79 0.04 -1.26 -4.44 135.00 137.55 1se7 s PRO 35 Ca 0.03 -1.29 -0.10 0.00 0.04 0.00 0.00 61.00 59.69 1se7 s PRO 35 Cb -0.18 -5.35 0.00 0.00 0.04 0.00 0.00 34.50 29.02 1se7 s PRO 35 CO -0.16 -2.18 0.28 0.14 0.04 0.00 0.00 177.00 175.12 1se7 s VAL 36 N 4.69 0.09 -0.20 -0.36 -7.23 -1.26 -5.14 120.40 110.98 1se7 s VAL 36 Ca 0.46 -1.21 -0.18 0.00 -1.81 0.00 0.00 61.98 59.24 1se7 s VAL 36 Cb 0.00 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.30 1se7 s VAL 36 CO -0.08 -0.39 0.50 -0.63 -0.31 0.00 0.00 175.10 174.19 1se7 s ILE 37 N -3.91 5.12 -0.09 -0.62 -1.09 -1.26 -4.98 121.20 114.36 1se7 s ILE 37 Ca 0.12 0.91 -0.19 0.00 -2.23 0.00 0.00 60.65 59.25 1se7 s ILE 37 Cb 0.03 -3.82 -0.16 0.00 -1.58 0.00 0.00 42.46 36.93 1se7 s ILE 37 CO -0.05 0.18 0.65 0.00 -1.23 0.00 0.00 174.94 174.49 1se7 h ALA 38 N 7.48 -0.08 0.00 9.38 0.00 -1.95 -3.22 119.26 130.87 1se7 h ALA 38 Ca -0.34 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1se7 h ALA 38 Cb 1.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1se7 h ALA 38 CO 0.73 -0.12 0.23 1.05 0.00 0.00 0.00 179.25 181.14 1se7 h GLU 39 N -0.93 0.00 0.50 0.00 4.11 -1.97 -1.53 114.58 114.75 1se7 h GLU 39 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 1se7 h GLU 39 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1se7 h GLU 39 CO 0.01 0.00 -0.24 0.37 0.07 0.00 0.00 179.01 179.22 1se7 h GLN 40 N 0.00 -0.64 0.00 1.06 4.15 -1.97 -2.99 115.11 114.71 1se7 h GLN 40 Ca 0.00 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1se7 h GLN 40 Cb 0.46 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1se7 h GLN 40 CO 0.00 -0.36 0.00 -0.39 -1.93 0.00 0.00 178.83 176.15 1se7 h VAL 41 N -1.08 0.00 0.00 2.39 -1.51 -1.38 -1.03 116.25 113.64 1se7 h VAL 41 Ca -0.07 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 1se7 h VAL 41 Cb 0.58 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1se7 h VAL 41 CO 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.45 1se7 n ALA 42 N -2.00 1.94 0.82 5.19 0.00 -0.99 -2.85 120.51 122.62 1se7 n ALA 42 Ca -0.02 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.56 1se7 n ALA 42 Cb 0.12 -1.42 0.46 0.00 0.00 0.00 0.00 19.45 18.61 1se7 n ALA 42 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1se7 n ARG 43 N -2.24 0.16 0.00 0.00 0.00 -0.39 -4.30 116.66 109.89 1se7 n ARG 43 Ca 0.04 0.13 0.00 0.00 -0.00 0.00 0.00 57.85 58.01 1se7 n ARG 43 Cb 0.32 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 31.28 1se7 n ARG 43 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1se7 n GLU 44 N -1.38 0.00 -3.58 2.89 0.28 -1.13 -5.06 120.64 112.65 1se7 n GLU 44 Ca 0.07 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.83 1se7 n GLU 44 Cb 0.19 -0.04 0.03 0.00 1.43 0.00 0.00 31.44 33.05 1se7 n GLU 44 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1se7 n GLN 45 N -2.58 -1.30 -1.56 3.44 1.13 -1.16 -4.80 117.38 110.55 1se7 n GLN 45 Ca 0.00 0.71 -0.51 0.00 -1.94 0.00 0.00 57.00 55.26 1se7 n GLN 45 Cb 0.00 -4.08 -0.05 0.00 0.11 0.00 0.00 30.24 26.22 1se7 n GLN 45 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1se7 n PRO 46 N -3.43 0.94 -0.08 -1.09 -0.02 -1.26 -4.91 135.00 125.16 1se7 n PRO 46 Ca -0.12 0.34 -0.15 0.00 -2.02 0.00 0.00 63.50 61.54 1se7 n PRO 46 Cb 0.59 -1.84 -0.12 0.00 -0.02 0.00 0.00 33.50 32.12 1se7 n PRO 46 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1se7 h GLU 47 N 3.44 0.00 0.00 -0.52 4.57 -1.98 -1.31 114.58 118.79 1se7 h GLU 47 Ca -0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1se7 h GLU 47 Cb 1.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 1se7 h GLU 47 CO 0.70 0.95 0.00 0.09 -1.18 0.00 0.00 179.01 179.58 1se7 n ASN 48 N -4.57 0.00 -0.08 1.04 4.13 -1.26 -1.06 115.26 113.45 1se7 n ASN 48 Ca -0.15 0.44 0.02 0.00 1.68 0.00 0.00 54.58 56.56 1se7 n ASN 48 Cb 0.51 -0.45 0.03 0.00 -1.54 0.00 0.00 39.78 38.33 1se7 n ASN 48 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1se7 n LEU 49 N -1.45 1.23 0.30 3.41 7.99 -1.24 -4.74 117.00 122.50 1se7 n LEU 49 Ca 0.01 -1.50 0.15 0.00 -0.01 0.00 0.00 56.01 54.67 1se7 n LEU 49 Cb 0.05 -0.08 0.93 0.00 -0.11 0.00 0.00 43.42 44.20 1se7 n LEU 49 CO 0.04 0.36 1.13 -0.09 -1.51 0.00 0.00 177.39 177.32 1se7 h ARG 50 N 0.00 0.00 -0.08 3.23 2.43 0.13 -1.50 114.38 118.59 1se7 h ARG 50 Ca 0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1se7 h ARG 50 Cb 0.85 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1se7 h ARG 50 CO 0.00 0.00 -0.20 1.15 -1.51 0.00 0.00 179.97 179.41 1se7 h THR 51 N 0.00 1.41 0.06 0.20 2.02 -1.85 -2.99 112.91 111.76 1se7 h THR 51 Ca -0.00 -1.54 0.01 0.00 0.77 0.00 0.00 66.41 65.66 1se7 h THR 51 Cb 0.01 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 1se7 h THR 51 CO 0.00 0.44 -0.12 0.22 0.37 0.00 0.00 175.52 176.43 1se7 h TYR 52 N -0.20 -0.30 -0.74 3.16 3.20 -1.64 -0.27 116.97 120.18 1se7 h TYR 52 Ca -0.00 0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.09 1se7 h TYR 52 Cb 0.81 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 1se7 h TYR 52 CO 0.12 -0.18 0.53 0.35 -1.64 0.00 0.00 178.16 177.34 1se7 h PHE 53 N -0.23 0.00 0.07 -3.82 3.04 -1.47 0.12 116.94 114.66 1se7 h PHE 53 Ca 0.02 0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.73 1se7 h PHE 53 Cb 0.25 -0.00 0.02 0.00 2.56 0.00 0.00 35.95 38.78 1se7 h PHE 53 CO -0.15 0.00 -1.00 0.52 -2.02 0.00 0.00 178.31 175.66 1se7 h MET 54 N 0.00 0.55 -0.55 1.11 2.86 -1.10 0.21 114.93 118.01 1se7 h MET 54 Ca 0.35 -0.69 0.06 0.00 -2.06 0.00 0.00 59.70 57.36 1se7 h MET 54 Cb 1.41 0.22 -0.05 0.00 0.06 0.00 0.00 31.60 33.23 1se7 h MET 54 CO -0.01 1.29 0.26 0.93 1.06 0.00 0.00 176.91 180.44 1se7 h GLU 55 N 0.12 0.48 -0.03 1.72 5.08 0.85 0.11 114.58 122.91 1se7 h GLU 55 Ca -0.15 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 57.98 1se7 h GLU 55 Cb 1.70 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.84 1se7 h GLU 55 CO 0.19 0.32 -0.84 -0.09 -1.00 0.00 0.00 179.01 177.59 1se7 h ARG 56 N 0.49 0.34 -0.76 2.33 9.65 -1.18 -2.48 114.38 122.77 1se7 h ARG 56 Ca 0.25 -0.33 0.10 0.00 -1.10 0.00 0.00 59.98 58.90 1se7 h ARG 56 Cb 0.20 0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 28.79 1se7 h ARG 56 CO -0.20 1.01 0.39 1.25 2.80 0.00 0.00 179.97 185.22 1se7 h LEU 57 N 0.21 0.51 0.09 3.80 5.85 0.80 0.17 115.31 126.74 1se7 h LEU 57 Ca -0.05 0.07 -0.28 0.00 0.84 0.00 0.00 57.88 58.45 1se7 h LEU 57 Cb 1.45 -0.02 0.02 0.00 0.37 0.00 0.00 40.66 42.48 1se7 h LEU 57 CO 0.14 0.28 -1.24 0.08 -0.34 0.00 0.00 178.44 177.36 1se7 h ARG 58 N 0.64 0.41 0.44 1.25 0.11 -0.87 -2.78 114.38 113.58 1se7 h ARG 58 Ca 0.38 -0.61 -0.02 0.00 0.10 0.00 0.00 59.98 59.83 1se7 h ARG 58 Cb 0.43 0.22 0.00 0.00 1.11 0.00 0.00 29.97 31.73 1se7 h ARG 58 CO -0.29 1.27 -0.21 1.25 0.10 0.00 0.00 179.97 182.09 1se7 h HIS 59 N 0.15 -0.55 0.00 4.08 2.76 -0.92 -2.17 115.15 118.50 1se7 h HIS 59 Ca -0.16 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 57.99 1se7 h HIS 59 Cb 1.93 0.18 -0.00 0.00 1.55 0.00 0.00 27.41 31.07 1se7 h HIS 59 CO 0.08 -0.24 -0.07 0.10 -1.30 0.00 0.00 177.93 176.51 1se7 h TYR 60 N -0.85 0.00 -0.21 5.26 -0.00 -0.84 -0.62 116.97 119.71 1se7 h TYR 60 Ca -0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.60 1se7 h TYR 60 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.28 1se7 h TYR 60 CO 0.00 0.07 -0.17 -0.09 -0.00 0.00 0.00 178.16 177.97 1se7 h ARG 61 N 0.00 0.35 0.05 0.10 2.43 -1.33 0.35 114.38 116.32 1se7 h ARG 61 Ca -0.00 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1se7 h ARG 61 Cb 0.56 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1se7 h ARG 61 CO 0.01 0.52 -0.08 1.96 -1.51 0.00 0.00 179.97 180.87 1se7 h GLN 62 N 0.32 -0.15 -0.00 0.20 1.08 -0.44 -2.25 115.11 113.87 1se7 h GLN 62 Ca 0.06 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1se7 h GLN 62 Cb 0.50 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1se7 h GLN 62 CO 0.03 -0.10 -0.32 1.47 -0.95 0.00 0.00 178.83 178.96 1se7 n LEU 63 N -5.19 0.43 0.28 1.46 -0.00 -1.14 -2.82 117.00 110.02 1se7 n LEU 63 Ca -0.07 0.09 0.18 0.00 -0.00 0.00 0.00 56.01 56.22 1se7 n LEU 63 Cb 0.12 -0.29 0.76 0.00 -0.00 0.00 0.00 43.42 44.01 1se7 n LEU 63 CO 0.31 0.10 1.01 0.28 -0.00 0.00 0.00 177.39 179.09 1se7 h SER 64 N 0.17 0.00 0.04 1.45 0.02 0.27 0.90 113.55 116.40 1se7 h SER 64 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 1se7 h SER 64 Cb 0.49 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1se7 h SER 64 CO 0.00 0.00 -1.14 -0.07 -1.14 0.00 0.00 176.83 174.48 1se7 h LEU 65 N 0.00 0.13 -0.56 5.07 3.38 -1.29 -3.38 115.31 118.66 1se7 h LEU 65 Ca 0.00 -0.72 -0.16 0.00 0.09 0.00 0.00 57.88 57.10 1se7 h LEU 65 Cb 0.42 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1se7 h LEU 65 CO 0.00 1.47 -0.61 0.06 0.09 0.00 0.00 178.44 179.45 1se7 h GLN 66 N -0.73 0.38 -6.89 1.13 -0.00 -1.46 -3.37 115.11 104.16 1se7 h GLN 66 Ca -0.28 -0.26 -0.45 0.00 -0.00 0.00 0.00 58.65 57.66 1se7 h GLN 66 Cb 1.43 0.04 0.23 0.00 -0.00 0.00 0.00 27.48 29.18 1se7 h GLN 66 CO -0.08 0.87 -0.55 1.28 -0.00 0.00 0.00 178.83 180.35 1se7 n LEU 67 N -3.90 -1.88 0.00 0.06 4.32 0.31 -4.90 117.00 111.01 1se7 n LEU 67 Ca -0.03 -0.14 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 1se7 n LEU 67 Cb 0.63 -1.11 0.00 0.00 -1.62 0.00 0.00 43.42 41.32 1se7 n LEU 67 CO 0.46 -3.21 0.00 -0.81 -1.22 0.00 0.00 177.39 172.61 1se7 n PRO 68 N -3.49 -0.40 0.00 3.23 -0.04 -1.26 -4.44 135.00 128.59 1se7 n PRO 68 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1se7 n PRO 68 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 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 -0.98 0.00 -2.09 0.54 4.76 -1.26 -4.25 118.16 114.88 1se7 n LYS 69 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 1se7 n LYS 69 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 1se7 n LYS 69 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1se7 s GLY 70 N 0.00 0.28 0.00 0.72 0.00 -0.44 -4.83 107.32 103.05 1se7 s GLY 70 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.31 1se7 s GLY 70 CO 0.00 3.40 0.00 -1.14 0.00 0.00 0.00 173.10 175.36 1se7 n SER 71 N 13.29 0.00 -4.77 1.64 3.41 -1.26 -4.62 113.62 121.32 1se7 n SER 71 Ca 0.35 -0.74 -0.41 0.00 -0.26 0.00 0.00 58.87 57.81 1se7 n SER 71 Cb 0.48 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 1se7 n SER 71 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1se7 s ASP 72 N -0.23 6.56 0.32 4.04 1.11 -1.26 -4.92 116.67 122.29 1se7 s ASP 72 Ca 0.00 2.86 0.04 0.00 0.18 0.00 0.00 52.55 55.62 1se7 s ASP 72 Cb 0.00 -2.66 0.64 0.00 1.07 0.00 0.00 42.92 41.97 1se7 s ASP 72 CO 0.00 -0.71 1.89 -0.65 1.18 0.00 0.00 175.17 176.88 1se7 h PRO 73 N 3.35 0.87 -0.08 8.23 0.11 -1.96 -0.47 132.00 142.05 1se7 h PRO 73 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1se7 h PRO 73 Cb 1.23 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1se7 h PRO 73 CO 0.66 0.58 0.00 0.00 -0.21 0.00 0.00 178.00 179.03 1se7 n ALA 74 N -2.40 2.51 -1.43 -0.75 0.00 -1.26 -3.63 120.51 113.54 1se7 n ALA 74 Ca 0.16 -0.18 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 1se7 n ALA 74 Cb 0.31 -1.05 0.10 0.00 0.00 0.00 0.00 19.45 18.81 1se7 n ALA 74 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1se7 n TYR 75 N -0.28 2.96 -0.57 0.00 9.36 -0.19 -5.02 117.16 123.43 1se7 n TYR 75 Ca 0.06 -2.59 -0.30 0.00 3.32 0.00 0.00 57.90 58.38 1se7 n TYR 75 Cb 0.09 -1.12 0.21 0.00 -0.63 0.00 0.00 39.34 37.89 1se7 n TYR 75 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1se7 n GLN 76 N -0.94 -2.15 -4.35 2.98 6.02 -1.24 -4.81 117.38 112.89 1se7 n GLN 76 Ca 0.57 -0.61 -0.26 0.00 -0.01 0.00 0.00 57.00 56.69 1se7 n GLN 76 Cb 0.91 -1.85 -0.13 0.00 1.02 0.00 0.00 30.24 30.20 1se7 n GLN 76 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1se7 s LYS 77 N -3.82 1.29 0.00 -1.09 0.00 -1.22 -4.88 119.74 110.02 1se7 s LYS 77 Ca 0.60 -1.29 0.06 0.00 0.00 0.00 0.00 55.97 55.34 1se7 s LYS 77 Cb -0.16 -1.66 0.37 0.00 0.00 0.00 0.00 37.83 36.39 1se7 s LYS 77 CO 0.65 0.38 1.24 -3.47 0.00 0.00 0.00 175.35 174.15 1se7 n ASP 78 N 0.89 0.01 0.00 0.03 2.03 -1.26 -4.13 116.55 114.12 1se7 n ASP 78 Ca -0.18 -1.81 0.00 0.00 0.52 0.00 0.00 54.79 53.33 1se7 n ASP 78 Cb 0.54 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 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 -0.59 0.00 0.00 1.67 8.00 -1.26 -4.94 116.55 119.43 1se7 n ASP 79 Ca 0.05 0.83 0.00 0.00 0.71 0.00 0.00 54.79 56.38 1se7 n ASP 79 Cb 0.02 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 1se7 n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1se7 n ALA 80 N -2.00 0.00 -2.86 2.24 0.00 -1.26 -5.14 120.51 111.50 1se7 n ALA 80 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1se7 n ALA 80 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.00 5.37 -0.48 0.00 1.01 -1.26 -5.07 120.40 119.97 1se7 s VAL 81 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1se7 s VAL 81 Cb 0.00 -3.34 0.10 0.00 0.00 0.00 0.00 36.38 33.14 1se7 s VAL 81 CO 0.00 0.60 0.38 -0.54 0.00 0.00 0.00 175.10 175.54 1se7 s LYS 82 N -1.07 2.75 0.00 2.72 1.02 -1.26 -3.45 119.74 120.44 1se7 s LYS 82 Ca 0.16 -1.60 0.00 0.00 0.02 0.00 0.00 55.97 54.54 1se7 s LYS 82 Cb -0.12 -4.04 0.00 0.00 -0.52 0.00 0.00 37.83 33.15 1se7 s LYS 82 CO 0.05 -1.15 0.00 1.17 -0.92 0.00 0.00 175.35 174.50