#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 -3.50 -1.00 2.03 4.02 -1.26 -4.83 117.16 112.61 1se7 n TYR 2 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.61 1se7 n TYR 2 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 39.34 39.52 1se7 n TYR 2 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1se7 s ASP 3 N -1.00 2.12 0.00 7.72 1.11 -1.26 -4.98 116.67 120.38 1se7 s ASP 3 Ca 0.00 1.26 0.00 0.00 0.18 0.00 0.00 52.55 53.99 1se7 s ASP 3 Cb 0.00 -1.95 0.00 0.00 1.07 0.00 0.00 42.92 42.04 1se7 s ASP 3 CO 0.00 -3.45 0.00 -2.67 1.18 0.00 0.00 175.17 170.23 1se7 n TRP 4 N -4.39 0.00 -0.90 4.23 2.14 -1.26 -4.90 117.44 112.36 1se7 n TRP 4 Ca 0.04 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.46 1se7 n TRP 4 Cb 0.57 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 31.08 1se7 n TRP 4 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1se7 n ASN 5 N 0.00 6.27 0.00 -0.67 4.13 -1.26 -4.35 115.26 119.39 1se7 n ASN 5 Ca 0.00 -2.96 0.14 0.00 1.68 0.00 0.00 54.58 53.43 1se7 n ASN 5 Cb 0.00 -1.10 0.63 0.00 -1.54 0.00 0.00 39.78 37.78 1se7 n ASN 5 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1se7 n ILE 6 N 0.64 0.08 0.28 2.41 5.41 -1.26 -3.44 119.36 123.48 1se7 n ILE 6 Ca 0.28 0.02 0.16 0.00 1.00 0.00 0.00 62.75 64.21 1se7 n ILE 6 Cb 0.57 -0.54 0.93 0.00 -0.71 0.00 0.00 39.64 39.89 1se7 n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1se7 h ALA 7 N 3.08 1.53 -2.86 -1.39 0.00 -2.03 -3.42 119.26 114.16 1se7 h ALA 7 Ca 0.00 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1se7 h ALA 7 Cb 0.42 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.30 1se7 h ALA 7 CO 0.00 -0.07 0.83 0.00 0.00 0.00 0.00 179.25 180.01 1se7 s ALA 8 N -4.57 3.66 -0.04 0.00 0.00 -1.22 -4.94 121.76 114.65 1se7 s ALA 8 Ca -0.05 1.55 -0.05 0.00 0.00 0.00 0.00 51.96 53.41 1se7 s ALA 8 Cb 0.15 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1se7 s ALA 8 CO 0.53 -0.99 -0.11 1.63 0.00 0.00 0.00 175.76 176.81 1se7 n LYS 9 N 1.41 0.18 -2.76 0.00 4.01 -1.26 -4.96 118.16 114.77 1se7 n LYS 9 Ca 0.05 0.07 -0.42 0.00 -0.51 0.00 0.00 58.31 57.50 1se7 n LYS 9 Cb 0.38 -0.80 -0.03 0.00 -0.51 0.00 0.00 35.03 34.07 1se7 n LYS 9 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1se7 s SER 10 N -5.88 7.23 0.40 4.39 0.15 -1.26 -4.92 113.70 113.81 1se7 s SER 10 Ca -0.11 1.50 0.22 0.00 0.70 0.00 0.00 55.95 58.26 1se7 s SER 10 Cb 0.03 -2.53 1.22 0.00 -1.71 0.00 0.00 66.02 63.03 1se7 s SER 10 CO 0.14 -0.33 1.68 -0.61 1.20 0.00 0.00 173.24 175.32 1se7 h GLN 11 N 6.97 0.25 -0.69 5.44 4.15 -1.98 0.68 115.11 129.93 1se7 h GLN 11 Ca -0.36 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.06 1se7 h GLN 11 Cb 1.18 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.78 1se7 h GLN 11 CO 0.80 0.16 0.45 0.93 -1.93 0.00 0.00 178.83 179.25 1se7 h GLU 12 N 0.26 0.89 0.00 1.69 4.39 -2.01 -0.86 114.58 118.93 1se7 h GLU 12 Ca 0.72 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 60.31 1se7 h GLU 12 Cb 1.96 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 30.40 1se7 h GLU 12 CO -0.43 0.59 -0.28 0.93 -1.16 0.00 0.00 179.01 178.66 1se7 h GLU 13 N 0.91 0.00 -0.08 2.33 5.08 -0.10 -3.17 114.58 119.55 1se7 h GLU 13 Ca 0.26 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1se7 h GLU 13 Cb -0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1se7 h GLU 13 CO -0.07 0.28 -0.06 0.00 -1.00 0.00 0.00 179.01 178.16 1se7 h ARG 14 N 0.00 0.18 0.02 2.33 3.08 0.25 -1.72 114.38 118.53 1se7 h ARG 14 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1se7 h ARG 14 Cb 0.83 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1se7 h ARG 14 CO 0.04 0.59 -0.04 -0.44 -1.07 0.00 0.00 179.97 179.05 1se7 h ASP 15 N -0.22 -0.10 0.61 7.04 3.32 -1.31 0.19 116.42 125.95 1se7 h ASP 15 Ca 0.02 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1se7 h ASP 15 Cb 0.54 0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.14 1se7 h ASP 15 CO 0.02 -0.06 -0.29 0.11 -1.72 0.00 0.00 179.24 177.30 1se7 h LYS 16 N -0.08 -0.78 -0.81 3.56 1.57 -1.62 -2.16 116.57 116.25 1se7 h LYS 16 Ca 0.01 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1se7 h LYS 16 Cb 0.08 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 1se7 h LYS 16 CO -0.02 -0.50 0.53 -0.24 -0.57 0.00 0.00 179.45 178.65 1se7 h VAL 17 N -0.87 1.07 -0.42 0.50 3.04 -1.27 0.33 116.25 118.63 1se7 h VAL 17 Ca -0.08 -0.32 -0.01 0.00 -1.01 0.00 0.00 66.70 65.28 1se7 h VAL 17 Cb 0.64 0.07 -0.02 0.00 -2.01 0.00 0.00 31.29 29.97 1se7 h VAL 17 CO 0.14 0.17 0.20 0.78 -1.01 0.00 0.00 177.57 177.85 1se7 h ASN 18 N 0.92 0.52 1.89 3.17 -0.26 -0.44 0.01 115.58 121.39 1se7 h ASN 18 Ca 0.34 -0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 56.02 1se7 h ASN 18 Cb 0.17 -0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 37.29 1se7 h ASN 18 CO -0.12 0.45 -0.08 1.62 -1.06 0.00 0.00 177.43 178.25 1se7 h VAL 19 N 0.59 0.14 -0.23 2.81 3.04 -0.35 -2.97 116.25 119.28 1se7 h VAL 19 Ca 0.15 -1.18 -0.18 0.00 -1.01 0.00 0.00 66.70 64.48 1se7 h VAL 19 Cb 0.07 2.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 1se7 h VAL 19 CO -0.02 0.08 -0.57 -0.78 -1.01 0.00 0.00 177.57 175.27 1se7 h ASP 20 N 0.00 0.91 0.81 3.17 1.82 0.75 -2.95 116.42 120.92 1se7 h ASP 20 Ca -0.00 -0.56 -0.11 0.00 -0.39 0.00 0.00 57.03 55.96 1se7 h ASP 20 Cb 1.05 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.78 1se7 h ASP 20 CO 0.01 1.31 -0.53 0.17 -1.61 0.00 0.00 179.24 178.58 1se7 h LEU 21 N 0.55 0.00 -0.56 2.28 8.10 -1.37 -2.84 115.31 121.46 1se7 h LEU 21 Ca -0.00 0.00 0.03 0.00 0.11 0.00 0.00 57.88 58.01 1se7 h LEU 21 Cb 1.18 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.37 1se7 h LEU 21 CO 0.12 0.53 0.34 0.00 -4.11 0.00 0.00 178.44 175.32 1se7 h ALA 22 N 1.47 0.73 0.00 0.17 0.00 -1.37 -0.12 119.26 120.13 1se7 h ALA 22 Ca -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1se7 h ALA 22 Cb 1.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1se7 h ALA 22 CO 0.07 0.05 -0.37 0.00 0.00 0.00 0.00 179.25 179.00 1se7 h ALA 23 N 1.26 0.94 0.27 0.00 0.00 -1.43 -2.99 119.26 117.30 1se7 h ALA 23 Ca 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1se7 h ALA 23 Cb 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1se7 h ALA 23 CO -0.11 0.47 -0.13 1.03 0.00 0.00 0.00 179.25 180.51 1se7 h SER 24 N 0.00 -0.30 -0.49 0.00 0.87 -1.06 -2.81 113.55 109.75 1se7 h SER 24 Ca -0.00 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.64 1se7 h SER 24 Cb 0.96 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.94 1se7 h SER 24 CO 0.05 0.03 0.16 1.23 -0.53 0.00 0.00 176.83 177.76 1se7 h GLY 25 N -0.84 0.64 0.67 5.77 0.00 -1.17 0.86 103.07 108.99 1se7 h GLY 25 Ca -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1se7 h GLY 25 CO 0.06 -0.00 -0.44 -2.08 0.00 0.00 0.00 176.54 174.08 1se7 h VAL 26 N 0.33 0.13 0.00 4.60 2.07 -1.66 -2.95 116.25 118.76 1se7 h VAL 26 Ca 0.24 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.68 1se7 h VAL 26 Cb 0.26 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1se7 h VAL 26 CO -0.25 0.00 -0.65 0.00 0.02 0.00 0.00 177.57 176.69 1se7 h ALA 27 N -0.71 0.09 -0.63 1.67 0.00 -1.32 -3.34 119.26 115.01 1se7 h ALA 27 Ca -0.06 -0.67 0.13 0.00 0.00 0.00 0.00 54.91 54.31 1se7 h ALA 27 Cb 0.82 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 18.99 1se7 h ALA 27 CO -0.00 0.47 0.03 -0.92 0.00 0.00 0.00 179.25 178.83 1se7 h TYR 28 N -1.00 0.00 -0.26 0.00 3.20 0.63 -1.48 116.97 118.06 1se7 h TYR 28 Ca -0.11 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.81 1se7 h TYR 28 Cb 0.74 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 1se7 h TYR 28 CO -0.05 -0.15 0.14 -0.22 -1.64 0.00 0.00 178.16 176.24 1se7 h LYS 29 N 0.14 0.29 0.00 1.82 1.63 -1.33 0.75 116.57 119.88 1se7 h LYS 29 Ca 0.33 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1se7 h LYS 29 Cb 0.54 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1se7 h LYS 29 CO -0.52 0.19 0.00 0.39 -3.45 0.00 0.00 179.45 176.06 1se7 n GLU 30 N -4.95 0.44 0.01 1.90 1.02 -0.59 -3.64 120.64 114.83 1se7 n GLU 30 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1se7 n GLU 30 Cb 0.05 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 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 -0.54 0.00 0.00 3.49 5.12 -0.30 -5.07 116.66 119.35 1se7 n ARG 31 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1se7 n ARG 31 Cb 0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 32.46 31.20 1se7 n ARG 31 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1se7 n LEU 32 N -2.73 0.00 -3.55 0.55 7.99 0.10 -4.43 117.00 114.94 1se7 n LEU 32 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 55.73 1se7 n LEU 32 Cb 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.21 1se7 n LEU 32 CO 0.00 0.00 -0.18 -3.20 -1.51 0.00 0.00 177.39 172.50 1se7 n ASN 33 N 0.00 1.22 -4.11 -1.43 5.15 -1.26 -4.86 115.26 109.97 1se7 n ASN 33 Ca 0.00 -2.81 -0.37 0.00 -0.60 0.00 0.00 54.58 50.80 1se7 n ASN 33 Cb 0.00 -0.65 -0.08 0.00 -0.53 0.00 0.00 39.78 38.52 1se7 n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1se7 s ILE 34 N -0.87 3.96 -1.13 -1.44 1.09 -1.26 -5.02 121.20 116.53 1se7 s ILE 34 Ca 0.31 -3.14 -0.24 0.00 -1.10 0.00 0.00 60.65 56.48 1se7 s ILE 34 Cb 0.04 -3.54 -0.11 0.00 -1.06 0.00 0.00 42.46 37.79 1se7 s ILE 34 CO -0.16 -0.93 1.98 -2.16 -0.10 0.00 0.00 174.94 173.56 1se7 s PRO 35 N -0.35 2.26 0.07 2.79 0.04 -1.26 -4.53 135.00 134.01 1se7 s PRO 35 Ca 0.19 -0.91 -0.07 0.00 0.04 0.00 0.00 61.00 60.25 1se7 s PRO 35 Cb -0.17 -5.17 -0.01 0.00 0.04 0.00 0.00 34.50 29.20 1se7 s PRO 35 CO -0.06 -4.19 0.15 0.14 0.04 0.00 0.00 177.00 173.08 1se7 s VAL 36 N 12.04 0.15 -0.18 -0.36 -7.23 -1.26 -4.68 120.40 118.87 1se7 s VAL 36 Ca 0.71 -1.20 -0.25 0.00 -1.81 0.00 0.00 61.98 59.43 1se7 s VAL 36 Cb -0.02 -1.22 -0.01 0.00 0.56 0.00 0.00 36.38 35.69 1se7 s VAL 36 CO 0.12 -0.66 0.84 -0.63 -0.31 0.00 0.00 175.10 174.46 1se7 s ILE 37 N -3.44 4.87 -0.11 -0.62 -1.09 -1.26 -4.96 121.20 114.59 1se7 s ILE 37 Ca 0.02 1.65 -0.18 0.00 -2.23 0.00 0.00 60.65 59.90 1se7 s ILE 37 Cb 0.03 -4.14 -0.16 0.00 -1.58 0.00 0.00 42.46 36.61 1se7 s ILE 37 CO -0.09 0.01 0.56 0.00 -1.23 0.00 0.00 174.94 174.19 1se7 h ALA 38 N 7.37 -0.04 0.00 9.38 0.00 -1.98 -3.24 119.26 130.75 1se7 h ALA 38 Ca -0.28 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1se7 h ALA 38 Cb 1.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1se7 h ALA 38 CO 0.85 -0.07 0.33 1.05 0.00 0.00 0.00 179.25 181.41 1se7 h GLU 39 N -0.96 0.00 -0.08 0.00 4.11 -1.97 0.64 114.58 116.31 1se7 h GLU 39 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 1se7 h GLU 39 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1se7 h GLU 39 CO 0.01 0.00 -0.47 0.37 0.07 0.00 0.00 179.01 178.98 1se7 h GLN 40 N 0.00 0.21 0.00 1.06 4.15 -1.97 -2.62 115.11 115.93 1se7 h GLN 40 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1se7 h GLN 40 Cb 0.65 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.35 1se7 h GLN 40 CO 0.00 0.64 -1.06 1.33 -1.93 0.00 0.00 178.83 177.81 1se7 n VAL 41 N -3.97 0.45 0.53 2.39 0.24 0.21 -4.05 118.33 114.13 1se7 n VAL 41 Ca -0.02 -0.46 0.13 0.00 -2.04 0.00 0.00 64.34 61.95 1se7 n VAL 41 Cb 0.52 -0.19 0.32 0.00 -1.47 0.00 0.00 33.84 33.02 1se7 n VAL 41 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1se7 h ALA 42 N 2.16 0.93 -0.00 2.33 0.00 -0.95 -2.22 119.26 121.50 1se7 h ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1se7 h ALA 42 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1se7 h ALA 42 CO 0.00 0.00 -0.04 2.89 0.00 0.00 0.00 179.25 182.10 1se7 n ARG 43 N -2.41 0.47 0.00 0.00 0.00 -1.01 -4.45 116.66 109.27 1se7 n ARG 43 Ca 0.05 -0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 1se7 n ARG 43 Cb 0.45 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 31.41 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 -1.21 0.00 -3.77 2.89 0.28 -1.19 -5.06 120.64 112.58 1se7 n GLU 44 Ca 0.14 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.89 1se7 n GLU 44 Cb 0.26 -0.03 0.00 0.00 1.43 0.00 0.00 31.44 33.10 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 -2.56 -1.56 -1.49 3.44 6.02 -0.84 -4.75 117.38 115.64 1se7 n GLN 45 Ca 0.00 0.79 -0.50 0.00 -0.01 0.00 0.00 57.00 57.29 1se7 n GLN 45 Cb 0.00 -2.34 -0.04 0.00 1.02 0.00 0.00 30.24 28.88 1se7 n GLN 45 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1se7 n PRO 46 N -2.52 0.49 -0.07 -1.09 -0.02 -1.26 -4.85 135.00 125.67 1se7 n PRO 46 Ca -0.31 0.17 -0.12 0.00 -2.02 0.00 0.00 63.50 61.22 1se7 n PRO 46 Cb 0.69 -1.45 -0.10 0.00 -0.02 0.00 0.00 33.50 32.62 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 2.13 0.00 -0.02 -0.52 4.81 -1.98 -0.05 114.58 118.95 1se7 h GLU 47 Ca -0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1se7 h GLU 47 Cb 1.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.78 1se7 h GLU 47 CO 0.62 0.78 0.00 -1.71 -0.73 0.00 0.00 179.01 177.97 1se7 n ASN 48 N -4.61 0.02 0.00 1.04 5.15 -1.26 -1.22 115.26 114.37 1se7 n ASN 48 Ca -0.12 -0.55 0.00 0.00 -0.60 0.00 0.00 54.58 53.31 1se7 n ASN 48 Cb 0.42 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.66 1se7 n ASN 48 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1se7 n LEU 49 N -0.44 0.00 0.31 1.20 7.99 -1.24 -4.85 117.00 119.96 1se7 n LEU 49 Ca 0.00 -0.20 0.20 0.00 -0.01 0.00 0.00 56.01 56.00 1se7 n LEU 49 Cb 0.00 0.00 1.05 0.00 -0.11 0.00 0.00 43.42 44.36 1se7 n LEU 49 CO 0.00 0.22 1.11 -0.09 -1.51 0.00 0.00 177.39 177.12 1se7 h ARG 50 N 0.00 0.00 -0.01 3.23 2.43 0.46 -1.93 114.38 118.55 1se7 h ARG 50 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 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 0.00 0.00 -0.02 1.15 -1.51 0.00 0.00 179.97 179.59 1se7 h THR 51 N 0.00 1.44 -0.77 0.20 2.02 -1.85 -3.05 112.91 110.90 1se7 h THR 51 Ca 0.00 -1.32 0.12 0.00 0.77 0.00 0.00 66.41 65.98 1se7 h THR 51 Cb 0.10 2.30 -0.08 0.00 -1.74 0.00 0.00 68.15 68.72 1se7 h THR 51 CO 0.00 0.35 0.37 0.22 0.37 0.00 0.00 175.52 176.83 1se7 h TYR 52 N -0.50 0.66 -0.70 3.16 3.20 -1.73 0.18 116.97 121.24 1se7 h TYR 52 Ca 0.00 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.03 1se7 h TYR 52 Cb 0.58 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 1se7 h TYR 52 CO 0.12 0.18 0.46 0.35 -1.64 0.00 0.00 178.16 177.64 1se7 h PHE 53 N 0.58 0.50 -0.05 -3.82 3.04 -1.50 -0.53 116.94 115.16 1se7 h PHE 53 Ca 0.40 0.01 -0.22 0.00 3.98 0.00 0.00 57.97 62.15 1se7 h PHE 53 Cb 0.51 -0.16 0.02 0.00 2.56 0.00 0.00 35.95 38.88 1se7 h PHE 53 CO -0.11 0.21 -0.81 0.52 -2.02 0.00 0.00 178.31 176.10 1se7 h MET 54 N 0.45 0.63 -0.08 1.11 0.00 -0.59 0.23 114.93 116.68 1se7 h MET 54 Ca 0.33 -0.62 0.03 0.00 0.00 0.00 0.00 59.70 59.45 1se7 h MET 54 Cb 0.68 0.16 -0.04 0.00 0.00 0.00 0.00 31.60 32.40 1se7 h MET 54 CO -0.10 1.23 -0.13 0.93 0.00 0.00 0.00 176.91 178.83 1se7 h GLU 55 N 0.27 -0.18 -0.14 1.72 5.08 -0.01 0.14 114.58 121.47 1se7 h GLU 55 Ca -0.09 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1se7 h GLU 55 Cb 1.47 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 1se7 h GLU 55 CO 0.16 -0.12 -0.39 -0.09 -1.00 0.00 0.00 179.01 177.57 1se7 h ARG 56 N -0.19 0.31 0.50 2.33 9.65 -1.21 -2.50 114.38 123.29 1se7 h ARG 56 Ca 0.08 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 1se7 h ARG 56 Cb 0.29 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 1se7 h ARG 56 CO -0.19 0.66 -0.38 1.25 2.80 0.00 0.00 179.97 184.10 1se7 h LEU 57 N 0.27 -1.00 -1.34 3.80 5.85 0.23 0.43 115.31 123.54 1se7 h LEU 57 Ca 0.03 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1se7 h LEU 57 Cb 0.81 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 1se7 h LEU 57 CO 0.06 -0.56 0.46 0.08 -0.34 0.00 0.00 178.44 178.14 1se7 h ARG 58 N -0.87 0.85 -0.44 1.25 0.11 -0.77 -0.63 114.38 113.88 1se7 h ARG 58 Ca -0.05 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 59.95 1se7 h ARG 58 Cb 0.74 -0.19 -0.02 0.00 1.11 0.00 0.00 29.97 31.61 1se7 h ARG 58 CO 0.01 0.56 0.20 0.45 0.10 0.00 0.00 179.97 181.28 1se7 h HIS 59 N 0.88 0.65 -0.12 4.08 3.86 -0.96 -2.17 115.15 121.36 1se7 h HIS 59 Ca 0.27 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.41 1se7 h HIS 59 Cb 0.01 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1se7 h HIS 59 CO -0.00 0.54 -0.09 1.88 0.86 0.00 0.00 177.93 181.12 1se7 h TYR 60 N 0.57 0.19 -0.69 2.45 0.05 0.87 -1.77 116.97 118.63 1se7 h TYR 60 Ca 0.15 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 1se7 h TYR 60 Cb 0.15 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 1se7 h TYR 60 CO -0.00 0.28 0.37 -0.09 -1.05 0.00 0.00 178.16 177.67 1se7 h ARG 61 N 0.18 0.96 -0.05 4.88 2.43 -0.52 0.21 114.38 122.47 1se7 h ARG 61 Ca 0.04 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1se7 h ARG 61 Cb 0.28 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1se7 h ARG 61 CO 0.01 0.71 0.00 1.96 -1.51 0.00 0.00 179.97 181.14 1se7 h GLN 62 N 0.96 0.08 -0.78 0.20 4.20 -1.02 -2.73 115.11 116.02 1se7 h GLN 62 Ca 0.24 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 1se7 h GLN 62 Cb 0.03 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 1se7 h GLN 62 CO -0.04 0.37 0.37 -0.07 -0.67 0.00 0.00 178.83 178.78 1se7 h LEU 63 N -0.21 1.03 -1.57 1.46 -0.00 -1.20 -0.85 115.31 113.96 1se7 h LEU 63 Ca 0.01 -0.12 0.19 0.00 -0.00 0.00 0.00 57.88 57.96 1se7 h LEU 63 Cb 0.33 -0.26 -0.06 0.00 -0.00 0.00 0.00 40.66 40.67 1se7 h LEU 63 CO 0.00 0.87 0.57 0.28 -0.00 0.00 0.00 178.44 180.17 1se7 h SER 64 N 1.12 0.36 -0.49 -0.43 0.02 -0.41 0.82 113.55 114.54 1se7 h SER 64 Ca 0.27 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1se7 h SER 64 Cb 0.13 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1se7 h SER 64 CO -0.03 0.15 0.00 0.18 -1.14 0.00 0.00 176.83 175.99 1se7 n LEU 65 N -4.48 3.51 -0.01 5.07 4.77 -0.41 -4.49 117.00 120.96 1se7 n LEU 65 Ca 0.18 -1.60 -0.02 0.00 -0.03 0.00 0.00 56.01 54.54 1se7 n LEU 65 Cb 0.68 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1se7 n LEU 65 CO 0.32 0.80 -0.55 0.00 -1.33 0.00 0.00 177.39 176.63 1se7 n GLN 66 N 1.48 0.05 0.00 3.23 -0.00 0.11 -4.53 117.38 117.72 1se7 n GLN 66 Ca 0.21 0.02 0.00 0.00 -0.00 0.00 0.00 57.00 57.23 1se7 n GLN 66 Cb 0.59 -0.58 0.00 0.00 -0.00 0.00 0.00 30.24 30.25 1se7 n GLN 66 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 1se7 n LEU 67 N -3.14 0.00 0.00 2.61 -0.00 0.24 -4.76 117.00 111.95 1se7 n LEU 67 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 1se7 n LEU 67 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1se7 n LEU 67 CO 0.00 -1.27 0.00 -0.81 -0.00 0.00 0.00 177.39 175.31 1se7 n PRO 68 N -1.57 0.00 0.00 1.47 -0.04 -1.26 -4.54 135.00 129.06 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 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1se7 n PRO 68 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1se7 n LYS 69 N 0.00 0.00 -0.10 0.54 2.85 -1.26 -1.54 118.16 118.64 1se7 n LYS 69 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1se7 n LYS 69 Cb 0.00 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.42 1se7 n LYS 69 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1se7 n GLY 70 N 0.00 1.77 0.00 2.58 0.00 -1.26 -4.83 105.19 103.45 1se7 n GLY 70 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.12 0.00 -4.62 1.61 2.88 -0.59 -4.89 113.62 108.13 1se7 n SER 71 Ca 0.04 0.00 -0.53 0.00 -1.33 0.00 0.00 58.87 57.04 1se7 n SER 71 Cb 0.40 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.80 1se7 n SER 71 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1se7 n ASP 72 N 0.00 2.56 -0.07 -3.46 5.68 -1.26 -4.85 116.55 115.14 1se7 n ASP 72 Ca 0.00 0.84 -0.06 0.00 -0.50 0.00 0.00 54.79 55.06 1se7 n ASP 72 Cb 0.00 -1.23 0.12 0.00 -1.14 0.00 0.00 41.12 38.87 1se7 n ASP 72 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 1se7 h PRO 73 N 9.38 0.73 -0.05 0.11 0.11 -1.92 -2.99 132.00 137.38 1se7 h PRO 73 Ca -0.40 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.43 1se7 h PRO 73 Cb 1.31 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1se7 h PRO 73 CO 0.98 0.87 0.00 0.00 -0.21 0.00 0.00 178.00 179.64 1se7 n ALA 74 N -2.49 1.68 1.17 -0.75 0.00 -1.26 -2.03 120.51 116.82 1se7 n ALA 74 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1se7 n ALA 74 Cb 0.40 -1.00 0.34 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.33 0.00 -3.80 0.00 9.36 -1.13 -4.68 117.16 116.58 1se7 n TYR 75 Ca 0.00 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.86 1se7 n TYR 75 Cb 0.01 -0.16 -0.12 0.00 -0.63 0.00 0.00 39.34 38.44 1se7 n TYR 75 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1se7 s GLN 76 N -2.66 2.19 -0.02 2.98 1.11 -0.86 -5.05 119.66 117.35 1se7 s GLN 76 Ca 0.20 -1.61 0.02 0.00 0.01 0.00 0.00 55.36 53.99 1se7 s GLN 76 Cb 0.19 -3.48 0.00 0.00 -1.01 0.00 0.00 33.01 28.71 1se7 s GLN 76 CO 0.58 -0.92 -0.09 -1.59 0.01 0.00 0.00 175.29 173.28 1se7 s LYS 77 N 1.21 0.88 0.06 2.91 0.00 -1.26 -3.78 119.74 119.76 1se7 s LYS 77 Ca 0.04 -0.29 -0.16 0.00 0.00 0.00 0.00 55.97 55.55 1se7 s LYS 77 Cb -0.22 -0.83 -0.16 0.00 0.00 0.00 0.00 37.83 36.62 1se7 s LYS 77 CO -0.02 0.12 1.27 -0.44 0.00 0.00 0.00 175.35 176.28 1se7 h ASP 78 N 6.31 0.71 -0.71 0.03 3.32 -1.96 -3.42 116.42 120.69 1se7 h ASP 78 Ca -0.33 -0.62 -0.23 0.00 0.02 0.00 0.00 57.03 55.88 1se7 h ASP 78 Cb 1.17 -0.21 -0.18 0.00 0.22 0.00 0.00 39.33 40.34 1se7 h ASP 78 CO 0.49 1.21 -0.55 -0.90 -1.72 0.00 0.00 179.24 177.76 1se7 n ASP 79 N -4.17 -2.88 -1.72 6.45 5.75 -1.26 -4.93 116.55 113.79 1se7 n ASP 79 Ca -0.07 -3.04 -0.20 0.00 -0.01 0.00 0.00 54.79 51.47 1se7 n ASP 79 Cb 0.61 1.54 -0.07 0.00 -1.03 0.00 0.00 41.12 42.18 1se7 n ASP 79 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1se7 n ALA 80 N 2.32 -0.38 -3.92 2.12 0.00 -1.26 -4.96 120.51 114.43 1se7 n ALA 80 Ca 0.15 0.28 -0.28 0.00 0.00 0.00 0.00 53.44 53.60 1se7 n ALA 80 Cb 0.58 -2.03 -0.17 0.00 0.00 0.00 0.00 19.45 17.84 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 -2.81 1.15 0.50 0.00 1.01 -1.26 -5.11 120.40 113.89 1se7 s VAL 81 Ca 0.00 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 1se7 s VAL 81 Cb 0.00 -1.20 -0.08 0.00 0.00 0.00 0.00 36.38 35.10 1se7 s VAL 81 CO 0.00 0.30 1.06 -1.59 0.00 0.00 0.00 175.10 174.87 1se7 s LYS 82 N 1.64 3.70 0.00 2.72 0.00 -1.26 -3.54 119.74 123.00 1se7 s LYS 82 Ca 0.04 1.40 0.05 0.00 0.00 0.00 0.00 55.97 57.46 1se7 s LYS 82 Cb -0.13 -2.08 0.28 0.00 0.00 0.00 0.00 37.83 35.90 1se7 s LYS 82 CO -0.08 -0.52 0.75 1.63 0.00 0.00 0.00 175.35 177.12