#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 -2.00 -1.61 2.03 4.01 -1.26 -4.81 117.16 113.52 1se7 n TYR 2 Ca 0.00 0.12 -0.29 0.00 -0.16 0.00 0.00 57.90 57.57 1se7 n TYR 2 Cb 0.00 0.03 0.13 0.00 -0.31 0.00 0.00 39.34 39.20 1se7 n TYR 2 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1se7 s ASP 3 N -4.18 3.58 0.00 7.72 1.47 -1.26 -4.99 116.67 119.01 1se7 s ASP 3 Ca 0.00 0.87 0.00 0.00 1.18 0.00 0.00 52.55 54.60 1se7 s ASP 3 Cb 0.00 -1.39 0.00 0.00 -0.34 0.00 0.00 42.92 41.19 1se7 s ASP 3 CO 0.00 -2.50 0.00 -2.67 0.68 0.00 0.00 175.17 170.68 1se7 n TRP 4 N -3.72 0.00 -0.41 2.11 2.14 -1.26 -4.94 117.44 111.36 1se7 n TRP 4 Ca 0.08 0.00 -0.03 0.00 2.07 0.00 0.00 57.50 59.61 1se7 n TRP 4 Cb 0.60 0.00 0.01 0.00 -0.81 0.00 0.00 31.31 31.10 1se7 n TRP 4 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 1se7 n ASN 5 N 0.00 5.26 0.18 -0.67 2.85 -1.26 -4.04 115.26 117.58 1se7 n ASN 5 Ca 0.00 -2.49 0.12 0.00 -0.11 0.00 0.00 54.58 52.10 1se7 n ASN 5 Cb 0.00 -1.04 0.13 0.00 1.24 0.00 0.00 39.78 40.10 1se7 n ASN 5 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1se7 h ILE 6 N 0.89 0.00 -0.01 -1.44 2.04 -2.03 -3.20 117.51 113.75 1se7 h ILE 6 Ca 0.06 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1se7 h ILE 6 Cb 1.01 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1se7 h ILE 6 CO 0.14 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.29 1se7 n ALA 7 N -2.11 2.64 -1.82 1.87 0.00 -1.26 -4.87 120.51 114.96 1se7 n ALA 7 Ca 0.03 -0.24 -0.41 0.00 0.00 0.00 0.00 53.44 52.82 1se7 n ALA 7 Cb 0.53 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.98 3.61 0.01 0.00 0.00 -1.21 -4.92 121.76 117.26 1se7 s ALA 8 Ca 0.40 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1se7 s ALA 8 Cb 0.19 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1se7 s ALA 8 CO 0.31 -0.80 0.00 1.17 0.00 0.00 0.00 175.76 176.44 1se7 n LYS 9 N 1.71 0.00 -2.24 0.00 0.00 -1.26 -4.99 118.16 111.37 1se7 n LYS 9 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.05 1se7 n LYS 9 Cb 0.40 -0.48 -0.01 0.00 0.00 0.00 0.00 35.03 34.94 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 -5.07 6.39 0.25 3.14 0.15 -1.26 -4.98 113.70 112.33 1se7 s SER 10 Ca 0.00 1.38 0.02 0.00 0.70 0.00 0.00 55.95 58.05 1se7 s SER 10 Cb 0.00 -2.44 0.31 0.00 -1.71 0.00 0.00 66.02 62.18 1se7 s SER 10 CO 0.00 -0.69 1.63 1.56 1.20 0.00 0.00 173.24 176.94 1se7 h GLN 11 N 0.33 0.42 0.00 5.44 1.08 -2.00 -2.78 115.11 117.60 1se7 h GLN 11 Ca -0.46 -0.21 -0.09 0.00 -1.45 0.00 0.00 58.65 56.44 1se7 h GLN 11 Cb 1.19 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.61 1se7 h GLN 11 CO 0.62 0.77 -0.45 0.93 -0.95 0.00 0.00 178.83 179.75 1se7 h GLU 12 N 0.34 0.00 -0.01 1.46 5.08 -1.98 -1.38 114.58 118.09 1se7 h GLU 12 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1se7 h GLU 12 Cb 0.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1se7 h GLU 12 CO 0.07 0.45 -0.02 0.93 -1.00 0.00 0.00 179.01 179.44 1se7 h GLU 13 N 0.00 0.04 -0.29 2.33 5.08 -1.89 -0.24 114.58 119.61 1se7 h GLU 13 Ca -0.00 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1se7 h GLU 13 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1se7 h GLU 13 CO 0.06 0.57 -0.23 0.07 -1.00 0.00 0.00 179.01 178.48 1se7 h ARG 14 N -0.49 0.54 0.04 2.33 0.11 -1.47 -2.39 114.38 113.05 1se7 h ARG 14 Ca 0.00 -0.20 -0.00 0.00 0.10 0.00 0.00 59.98 59.88 1se7 h ARG 14 Cb 0.57 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.61 1se7 h ARG 14 CO 0.00 0.73 -0.02 -0.44 0.10 0.00 0.00 179.97 180.34 1se7 h ASP 15 N 0.48 -0.05 -0.48 0.08 5.19 -1.29 -2.75 116.42 117.60 1se7 h ASP 15 Ca 0.07 -0.13 0.02 0.00 -0.62 0.00 0.00 57.03 56.37 1se7 h ASP 15 Cb 0.65 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.15 1se7 h ASP 15 CO 0.05 0.51 0.32 0.11 -3.12 0.00 0.00 179.24 177.10 1se7 h LYS 16 N -1.01 0.56 0.00 3.56 1.57 -1.14 -2.61 116.57 117.50 1se7 h LYS 16 Ca -0.01 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1se7 h LYS 16 Cb 0.18 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1se7 h LYS 16 CO 0.01 0.37 -0.43 0.28 -0.57 0.00 0.00 179.45 179.11 1se7 h VAL 17 N 0.58 1.07 0.00 0.50 2.07 -1.59 -2.82 116.25 116.06 1se7 h VAL 17 Ca 0.19 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.76 1se7 h VAL 17 Cb 0.05 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1se7 h VAL 17 CO -0.05 0.36 0.18 0.78 0.02 0.00 0.00 177.57 178.87 1se7 h ASN 18 N -1.00 0.00 0.24 0.57 -0.26 -1.50 0.22 115.58 113.85 1se7 h ASN 18 Ca -0.11 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.29 1se7 h ASN 18 Cb 0.89 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.12 1se7 h ASN 18 CO -0.06 0.00 -1.92 0.55 -1.06 0.00 0.00 177.43 174.93 1se7 n VAL 19 N -2.82 1.71 -0.01 2.81 3.14 -0.98 -2.23 118.33 119.94 1se7 n VAL 19 Ca -0.02 -0.71 -0.09 0.00 -2.96 0.00 0.00 64.34 60.56 1se7 n VAL 19 Cb 0.23 -1.46 0.06 0.00 -1.06 0.00 0.00 33.84 31.60 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 0.04 0.65 0.76 6.55 1.82 -0.59 -3.07 116.42 122.57 1se7 h ASP 20 Ca -0.38 -0.33 -0.25 0.00 -0.39 0.00 0.00 57.03 55.68 1se7 h ASP 20 Cb 2.03 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 41.83 1se7 h ASP 20 CO 0.08 1.04 -1.23 0.17 -1.61 0.00 0.00 179.24 177.69 1se7 h LEU 21 N 0.46 0.16 -0.45 2.28 8.10 -0.84 -3.00 115.31 122.02 1se7 h LEU 21 Ca 0.02 -0.19 0.09 0.00 0.11 0.00 0.00 57.88 57.90 1se7 h LEU 21 Cb 1.05 -0.05 -0.10 0.00 -0.44 0.00 0.00 40.66 41.12 1se7 h LEU 21 CO 0.10 1.16 -0.33 0.00 -4.11 0.00 0.00 178.44 175.26 1se7 h ALA 22 N 0.82 -0.14 -0.32 0.17 0.00 -1.36 0.58 119.26 119.02 1se7 h ALA 22 Ca -0.11 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1se7 h ALA 22 Cb 1.89 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 20.39 1se7 h ALA 22 CO 0.15 -0.71 0.04 0.00 0.00 0.00 0.00 179.25 178.73 1se7 h ALA 23 N 0.83 0.42 -0.28 0.00 0.00 -1.64 -3.15 119.26 115.44 1se7 h ALA 23 Ca 0.19 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1se7 h ALA 23 Cb 0.54 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1se7 h ALA 23 CO -0.58 0.13 -0.37 0.77 0.00 0.00 0.00 179.25 179.20 1se7 h SER 24 N 0.35 -1.25 -0.81 0.00 0.02 -0.99 -1.45 113.55 109.43 1se7 h SER 24 Ca 0.09 0.16 0.17 0.00 -0.84 0.00 0.00 61.79 61.38 1se7 h SER 24 Cb 0.37 0.51 -0.11 0.00 0.14 0.00 0.00 62.40 63.32 1se7 h SER 24 CO 0.01 -0.27 0.32 1.23 -1.14 0.00 0.00 176.83 176.97 1se7 h GLY 25 N -0.27 1.27 -0.22 -3.77 0.00 -1.00 0.16 103.07 99.24 1se7 h GLY 25 Ca 0.05 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.27 1se7 h GLY 25 CO -0.40 -0.17 -0.38 -2.08 0.00 0.00 0.00 176.54 173.51 1se7 h VAL 26 N 0.41 0.00 0.03 4.60 2.07 -1.22 -2.99 116.25 119.15 1se7 h VAL 26 Ca 0.47 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.72 1se7 h VAL 26 Cb 0.79 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1se7 h VAL 26 CO -0.47 0.00 -1.45 0.00 0.02 0.00 0.00 177.57 175.68 1se7 h ALA 27 N -0.50 0.30 -0.86 1.67 0.00 -1.45 -3.36 119.26 115.06 1se7 h ALA 27 Ca 0.04 -1.26 0.25 0.00 0.00 0.00 0.00 54.91 53.94 1se7 h ALA 27 Cb 0.43 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1se7 h ALA 27 CO -0.38 0.86 0.94 -0.92 0.00 0.00 0.00 179.25 179.75 1se7 h TYR 28 N -0.73 0.00 0.00 0.00 3.20 -1.07 -1.03 116.97 117.33 1se7 h TYR 28 Ca -0.37 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.36 1se7 h TYR 28 Cb 1.49 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.74 1se7 h TYR 28 CO 0.09 0.00 -0.79 1.57 -1.64 0.00 0.00 178.16 177.39 1se7 h LYS 29 N 0.00 0.00 -1.53 1.82 2.10 -1.69 -3.35 116.57 113.92 1se7 h LYS 29 Ca 0.41 0.00 0.47 0.00 -2.00 0.00 0.00 60.65 59.53 1se7 h LYS 29 Cb 2.28 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 33.50 1se7 h LYS 29 CO -0.00 0.90 1.05 1.49 -2.00 0.00 0.00 179.45 180.88 1se7 h GLU 30 N -1.00 0.05 -5.45 0.07 4.22 -1.33 -3.39 114.58 107.75 1se7 h GLU 30 Ca -0.21 -0.00 -0.62 0.00 0.08 0.00 0.00 59.36 58.61 1se7 h GLU 30 Cb 1.12 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.23 1se7 h GLU 30 CO -0.13 0.03 -0.57 1.03 -2.18 0.00 0.00 179.01 177.19 1se7 s ARG 31 N -5.11 1.98 4.64 1.92 3.00 -1.13 -4.98 118.95 119.26 1se7 s ARG 31 Ca -0.06 -2.16 0.00 0.00 0.00 0.00 0.00 55.73 53.50 1se7 s ARG 31 Cb 0.28 -1.45 0.00 0.00 0.00 0.00 0.00 34.95 33.78 1se7 s ARG 31 CO 0.85 -0.17 0.00 1.28 0.00 0.00 0.00 175.30 177.25 1se7 n LEU 32 N -1.01 0.00 -3.23 2.53 4.32 -0.69 -4.33 117.00 114.59 1se7 n LEU 32 Ca -0.08 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.67 1se7 n LEU 32 Cb 0.67 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.40 1se7 n LEU 32 CO 0.45 0.00 -0.25 0.59 -1.22 0.00 0.00 177.39 176.95 1se7 n ASN 33 N 2.95 -0.53 -3.86 -1.43 3.02 -1.26 -4.42 115.26 109.73 1se7 n ASN 33 Ca 0.00 -2.60 -0.26 0.00 -0.03 0.00 0.00 54.58 51.69 1se7 n ASN 33 Cb 0.00 -0.31 -0.17 0.00 -0.61 0.00 0.00 39.78 38.69 1se7 n ASN 33 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1se7 s ILE 34 N -0.39 0.87 -0.98 2.41 1.09 -1.26 -5.04 121.20 117.90 1se7 s ILE 34 Ca 0.34 -0.30 -0.13 0.00 -1.10 0.00 0.00 60.65 59.46 1se7 s ILE 34 Cb 0.11 -0.99 0.21 0.00 -1.06 0.00 0.00 42.46 40.73 1se7 s ILE 34 CO -0.15 0.25 1.02 -2.16 -0.10 0.00 0.00 174.94 173.79 1se7 s PRO 35 N 1.76 3.84 0.10 2.79 0.04 -1.26 -4.52 135.00 137.75 1se7 s PRO 35 Ca 0.04 -2.57 -0.04 0.00 0.04 0.00 0.00 61.00 58.46 1se7 s PRO 35 Cb -0.13 -4.64 -0.02 0.00 0.04 0.00 0.00 34.50 29.75 1se7 s PRO 35 CO -0.07 -1.42 0.11 0.14 0.04 0.00 0.00 177.00 175.79 1se7 s VAL 36 N 0.38 0.14 -0.19 -0.36 -7.23 -1.26 -3.96 120.40 107.92 1se7 s VAL 36 Ca 0.27 -1.59 -0.14 0.00 -1.81 0.00 0.00 61.98 58.72 1se7 s VAL 36 Cb -0.08 -1.66 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 1se7 s VAL 36 CO -0.08 -0.64 0.29 -0.63 -0.31 0.00 0.00 175.10 173.73 1se7 s ILE 37 N -3.95 5.29 0.01 -0.62 -1.09 -1.26 -5.00 121.20 114.58 1se7 s ILE 37 Ca 0.13 0.50 -0.25 0.00 -2.23 0.00 0.00 60.65 58.79 1se7 s ILE 37 Cb 0.06 -3.62 -0.18 0.00 -1.58 0.00 0.00 42.46 37.14 1se7 s ILE 37 CO -0.05 0.34 1.30 0.00 -1.23 0.00 0.00 174.94 175.29 1se7 h ALA 38 N 7.07 -0.22 0.00 9.38 0.00 -1.93 -2.93 119.26 130.64 1se7 h ALA 38 Ca -0.39 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1se7 h ALA 38 Cb 1.16 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1se7 h ALA 38 CO 0.72 -0.44 0.07 1.05 0.00 0.00 0.00 179.25 180.66 1se7 h GLU 39 N -0.58 0.00 -0.62 0.00 4.11 -1.98 -0.95 114.58 114.56 1se7 h GLU 39 Ca -0.02 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.44 1se7 h GLU 39 Cb 0.44 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1se7 h GLU 39 CO 0.04 0.00 0.41 0.37 0.07 0.00 0.00 179.01 179.90 1se7 h GLN 40 N 0.00 0.70 0.00 1.06 4.15 -1.94 -1.55 115.11 117.54 1se7 h GLN 40 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1se7 h GLN 40 Cb 0.15 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1se7 h GLN 40 CO 0.00 0.47 -1.09 1.33 -1.93 0.00 0.00 178.83 177.60 1se7 n VAL 41 N -4.46 0.44 0.27 2.39 0.24 -0.38 -3.99 118.33 112.84 1se7 n VAL 41 Ca 0.08 -0.46 0.16 0.00 -2.04 0.00 0.00 64.34 62.07 1se7 n VAL 41 Cb 0.14 -0.18 0.57 0.00 -1.47 0.00 0.00 33.84 32.90 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 2.14 1.00 0.00 2.33 0.00 -1.09 -2.57 119.26 121.07 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 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1se7 h ALA 42 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.14 1se7 n ARG 43 N -3.06 0.06 0.00 0.00 -4.01 -1.02 -4.22 116.66 104.42 1se7 n ARG 43 Ca 0.01 0.21 0.00 0.00 -1.04 0.00 0.00 57.85 57.04 1se7 n ARG 43 Cb 0.35 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.27 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 -1.44 0.00 -3.64 2.89 0.28 -1.10 -5.07 120.64 112.57 1se7 n GLU 44 Ca 0.05 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.85 1se7 n GLU 44 Cb 0.16 -0.01 0.00 0.00 1.43 0.00 0.00 31.44 33.02 1se7 n GLU 44 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1se7 n GLN 45 N -2.53 -1.45 -1.58 3.44 -0.06 -0.99 -4.79 117.38 109.42 1se7 n GLN 45 Ca 0.00 0.89 -0.48 0.00 -2.00 0.00 0.00 57.00 55.41 1se7 n GLN 45 Cb 0.00 -3.10 -0.04 0.00 -4.06 0.00 0.00 30.24 23.04 1se7 n GLN 45 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1se7 n PRO 46 N -2.55 1.22 -0.05 3.69 -0.02 -1.26 -4.93 135.00 131.10 1se7 n PRO 46 Ca -0.24 0.43 -0.19 0.00 -2.02 0.00 0.00 63.50 61.48 1se7 n PRO 46 Cb 0.65 -1.93 -0.13 0.00 -0.02 0.00 0.00 33.50 32.06 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 3.35 0.09 0.00 -0.52 4.81 -1.98 -2.25 114.58 118.08 1se7 h GLU 47 Ca -0.43 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1se7 h GLU 47 Cb 1.34 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.78 1se7 h GLU 47 CO 0.70 1.08 0.03 -1.71 -0.73 0.00 0.00 179.01 178.38 1se7 n ASN 48 N -4.31 0.00 -0.32 1.04 2.85 -1.26 -0.84 115.26 112.42 1se7 n ASN 48 Ca -0.22 0.30 0.01 0.00 -0.11 0.00 0.00 54.58 54.56 1se7 n ASN 48 Cb 0.70 -0.30 0.01 0.00 1.24 0.00 0.00 39.78 41.43 1se7 n ASN 48 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1se7 n LEU 49 N -1.29 0.30 0.28 1.20 7.99 -1.25 -4.81 117.00 119.43 1se7 n LEU 49 Ca 0.00 -1.00 0.16 0.00 -0.01 0.00 0.00 56.01 55.16 1se7 n LEU 49 Cb 0.03 -0.04 0.84 0.00 -0.11 0.00 0.00 43.42 44.14 1se7 n LEU 49 CO 0.00 0.24 1.03 0.08 -1.51 0.00 0.00 177.39 177.24 1se7 h ARG 50 N 0.00 0.00 -0.29 3.23 0.11 -0.35 -2.07 114.38 115.00 1se7 h ARG 50 Ca 0.00 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.98 1se7 h ARG 50 Cb 1.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 1se7 h ARG 50 CO 0.00 0.07 -0.20 1.15 0.10 0.00 0.00 179.97 181.09 1se7 h THR 51 N 0.00 1.30 -0.34 0.08 2.02 -1.87 -2.67 112.91 111.43 1se7 h THR 51 Ca -0.00 -1.33 -0.04 0.00 0.77 0.00 0.00 66.41 65.81 1se7 h THR 51 Cb 0.28 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1se7 h THR 51 CO 0.01 0.43 0.06 0.22 0.37 0.00 0.00 175.52 176.61 1se7 h TYR 52 N 0.40 0.59 -0.72 3.16 3.20 -1.76 -2.22 116.97 119.62 1se7 h TYR 52 Ca 0.06 -0.08 0.10 0.00 3.14 0.00 0.00 58.73 61.95 1se7 h TYR 52 Cb 0.74 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.78 1se7 h TYR 52 CO 0.07 0.61 0.36 0.35 -1.64 0.00 0.00 178.16 177.91 1se7 h PHE 53 N 0.39 0.64 -0.25 -3.82 3.04 -1.41 -0.56 116.94 114.97 1se7 h PHE 53 Ca 0.10 0.03 -0.19 0.00 3.98 0.00 0.00 57.97 61.90 1se7 h PHE 53 Cb 0.33 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.66 1se7 h PHE 53 CO 0.02 0.23 -0.58 0.00 -2.02 0.00 0.00 178.31 175.96 1se7 h MET 54 N 0.61 0.79 0.39 1.11 -0.00 -1.39 0.26 114.93 116.71 1se7 h MET 54 Ca 0.36 -0.52 -0.01 0.00 -0.00 0.00 0.00 59.70 59.53 1se7 h MET 54 Cb 0.38 0.07 -0.02 0.00 -0.00 0.00 0.00 31.60 32.03 1se7 h MET 54 CO -0.27 1.15 -0.37 0.93 -0.00 0.00 0.00 176.91 178.35 1se7 h GLU 55 N 0.60 -0.75 -0.46 -0.10 4.39 -0.77 0.42 114.58 117.91 1se7 h GLU 55 Ca 0.00 0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 1se7 h GLU 55 Cb 1.18 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.98 1se7 h GLU 55 CO 0.12 -0.50 0.07 -0.09 -1.16 0.00 0.00 179.01 177.46 1se7 h ARG 56 N -0.78 0.70 -0.27 2.33 9.65 -1.16 -2.36 114.38 122.50 1se7 h ARG 56 Ca -0.03 -0.15 0.06 0.00 -1.10 0.00 0.00 59.98 58.76 1se7 h ARG 56 Cb 0.69 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 29.10 1se7 h ARG 56 CO -0.05 0.67 -0.14 1.25 2.80 0.00 0.00 179.97 184.50 1se7 h LEU 57 N 0.68 -0.47 -0.26 3.80 5.85 0.36 0.81 115.31 126.07 1se7 h LEU 57 Ca 0.15 0.11 -0.19 0.00 0.84 0.00 0.00 57.88 58.78 1se7 h LEU 57 Cb 0.31 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1se7 h LEU 57 CO 0.00 -0.18 -0.59 0.08 -0.34 0.00 0.00 178.44 177.42 1se7 h ARG 58 N -0.11 0.86 0.12 1.25 0.11 -0.79 -2.18 114.38 113.65 1se7 h ARG 58 Ca 0.14 -0.58 -0.01 0.00 0.10 0.00 0.00 59.98 59.64 1se7 h ARG 58 Cb 0.33 0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.49 1se7 h ARG 58 CO -0.34 1.21 -0.06 0.45 0.10 0.00 0.00 179.97 181.33 1se7 h HIS 59 N 0.64 -0.15 -0.76 4.08 3.86 -1.09 -2.43 115.15 119.30 1se7 h HIS 59 Ca 0.00 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.31 1se7 h HIS 59 Cb 1.21 0.05 -0.05 0.00 1.06 0.00 0.00 27.41 29.67 1se7 h HIS 59 CO 0.08 0.33 0.50 0.10 0.86 0.00 0.00 177.93 179.80 1se7 h TYR 60 N -0.87 0.69 0.00 2.45 -0.00 0.51 0.68 116.97 120.44 1se7 h TYR 60 Ca -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 1se7 h TYR 60 Cb 0.55 -0.22 -0.00 0.00 0.00 0.00 0.00 36.73 37.05 1se7 h TYR 60 CO 0.10 0.32 -0.09 -0.09 -0.00 0.00 0.00 178.16 178.40 1se7 h ARG 61 N 0.64 0.00 -0.01 0.10 2.43 -1.37 0.50 114.38 116.67 1se7 h ARG 61 Ca 0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1se7 h ARG 61 Cb 0.52 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1se7 h ARG 61 CO -0.13 0.09 0.01 1.96 -1.51 0.00 0.00 179.97 180.39 1se7 h GLN 62 N 0.00 0.00 0.09 0.20 4.20 0.88 0.67 115.11 121.16 1se7 h GLN 62 Ca -0.00 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.44 1se7 h GLN 62 Cb 0.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1se7 h GLN 62 CO 0.01 0.00 -1.31 -0.07 -0.67 0.00 0.00 178.83 176.79 1se7 h LEU 63 N 0.00 0.31 -1.97 1.46 4.07 -0.80 -2.00 115.31 116.38 1se7 h LEU 63 Ca 0.01 -0.37 0.22 0.00 0.08 0.00 0.00 57.88 57.81 1se7 h LEU 63 Cb 0.02 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 1se7 h LEU 63 CO -0.00 1.30 0.58 -1.28 -1.08 0.00 0.00 178.44 177.96 1se7 h SER 64 N 0.05 0.00 0.00 -0.43 0.87 -0.23 0.65 113.55 114.47 1se7 h SER 64 Ca -0.15 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.19 1se7 h SER 64 Cb 1.95 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.88 1se7 h SER 64 CO 0.17 0.00 -1.46 0.18 -0.53 0.00 0.00 176.83 175.20 1se7 n LEU 65 N -4.13 1.89 -0.18 2.23 4.32 -1.04 -4.56 117.00 115.52 1se7 n LEU 65 Ca 0.15 0.43 -0.07 0.00 -0.02 0.00 0.00 56.01 56.50 1se7 n LEU 65 Cb 0.85 -0.87 0.02 0.00 -1.62 0.00 0.00 43.42 41.81 1se7 n LEU 65 CO 0.36 0.13 1.06 0.06 -1.22 0.00 0.00 177.39 177.78 1se7 h GLN 66 N -1.00 0.71 -6.21 3.23 -0.00 -0.95 -3.38 115.11 107.51 1se7 h GLN 66 Ca -0.33 -0.06 -0.51 0.00 -0.00 0.00 0.00 58.65 57.75 1se7 h GLN 66 Cb 1.19 -0.15 0.24 0.00 -0.00 0.00 0.00 27.48 28.77 1se7 h GLN 66 CO -0.20 0.52 -1.91 1.28 -0.00 0.00 0.00 178.83 178.51 1se7 n LEU 67 N -4.67 -3.51 0.00 0.06 4.77 0.22 -4.82 117.00 109.04 1se7 n LEU 67 Ca 0.03 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1se7 n LEU 67 Cb 0.05 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1se7 n LEU 67 CO 0.36 -3.88 0.00 -0.81 -1.33 0.00 0.00 177.39 171.72 1se7 n PRO 68 N 1.19 0.00 -1.52 3.23 -0.04 -1.26 -4.29 135.00 132.31 1se7 n PRO 68 Ca -0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1se7 n PRO 68 Cb 0.64 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.15 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 0.00 0.64 -0.19 0.54 5.02 -1.26 -1.48 118.16 121.44 1se7 n LYS 69 Ca 0.00 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1se7 n LYS 69 Cb 0.00 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.12 1se7 n LYS 69 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1se7 n GLY 70 N 1.59 2.41 0.00 0.72 0.00 -1.26 -1.70 105.19 106.95 1se7 n GLY 70 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1se7 n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1se7 n SER 71 N 0.00 0.00 -4.67 1.61 7.64 -0.55 -4.53 113.62 113.12 1se7 n SER 71 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1se7 n SER 71 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1se7 n SER 71 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1se7 n ASP 72 N 0.00 2.03 0.11 6.43 9.92 -1.25 -4.93 116.55 128.86 1se7 n ASP 72 Ca 0.00 1.05 -0.23 0.00 -0.53 0.00 0.00 54.79 55.08 1se7 n ASP 72 Cb 0.00 -1.45 -0.14 0.00 -0.64 0.00 0.00 41.12 38.89 1se7 n ASP 72 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1se7 h PRO 73 N 1.75 0.59 -1.35 -0.24 0.13 -1.95 -3.29 132.00 127.63 1se7 h PRO 73 Ca -0.47 -0.87 -0.34 0.00 -0.87 0.00 0.00 66.00 63.46 1se7 h PRO 73 Cb 1.31 0.30 -0.16 0.00 0.13 0.00 0.00 31.00 32.59 1se7 h PRO 73 CO 0.58 1.40 0.43 0.00 -0.23 0.00 0.00 178.00 180.19 1se7 n ALA 74 N -2.70 4.95 -1.57 -0.56 0.00 -1.26 -4.84 120.51 114.53 1se7 n ALA 74 Ca -0.15 -1.75 -0.48 0.00 0.00 0.00 0.00 53.44 51.06 1se7 n ALA 74 Cb 1.03 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 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 0.07 1.17 -1.60 0.00 9.36 -1.24 -4.77 117.16 120.15 1se7 n TYR 75 Ca 0.33 0.71 -0.42 0.00 3.32 0.00 0.00 57.90 61.83 1se7 n TYR 75 Cb 0.73 -2.25 -0.03 0.00 -0.63 0.00 0.00 39.34 37.16 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 -0.74 3.02 0.59 2.98 1.11 -1.26 -4.72 119.66 120.65 1se7 s GLN 76 Ca 0.69 1.97 -0.19 0.00 0.01 0.00 0.00 55.36 57.84 1se7 s GLN 76 Cb -0.82 -4.40 -0.03 0.00 -1.01 0.00 0.00 33.01 26.75 1se7 s GLN 76 CO 0.55 -2.23 1.20 -1.59 0.01 0.00 0.00 175.29 173.22 1se7 s LYS 77 N 6.56 2.98 -0.18 2.91 -2.85 -1.26 -5.00 119.74 122.90 1se7 s LYS 77 Ca 1.01 1.78 -0.17 0.00 -1.00 0.00 0.00 55.97 57.59 1se7 s LYS 77 Cb -0.32 -1.94 -0.06 0.00 -2.06 0.00 0.00 37.83 33.46 1se7 s LYS 77 CO 0.34 -1.19 -0.34 -0.40 0.10 0.00 0.00 175.35 173.87 1se7 n ASP 78 N -1.62 1.93 0.00 0.03 5.75 -1.26 -4.91 116.55 116.47 1se7 n ASP 78 Ca 0.13 0.36 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 1se7 n ASP 78 Cb 0.50 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1se7 n ASP 78 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1se7 n ASP 79 N -4.47 0.00 0.05 -1.12 9.92 -1.26 -4.82 116.55 114.86 1se7 n ASP 79 Ca -0.14 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.20 1se7 n ASP 79 Cb 0.50 0.00 0.36 0.00 -0.64 0.00 0.00 41.12 41.35 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 -0.36 1.60 -3.42 2.24 0.00 -1.26 -4.92 120.51 114.39 1se7 n ALA 80 Ca 0.00 0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 1se7 n ALA 80 Cb 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 19.45 18.18 1se7 n ALA 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1se7 n VAL 81 N -1.78 -6.15 -3.59 0.00 0.31 -1.26 -5.00 118.33 100.86 1se7 n VAL 81 Ca 0.03 0.10 -0.28 0.00 -0.01 0.00 0.00 64.34 64.17 1se7 n VAL 81 Cb 0.18 -4.62 -0.16 0.00 -0.91 0.00 0.00 33.84 28.33 1se7 n VAL 81 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1se7 s LYS 82 N -3.54 0.25 0.00 5.55 -0.14 -1.26 -5.10 119.74 115.50 1se7 s LYS 82 Ca 0.14 -0.48 0.07 0.00 -1.36 0.00 0.00 55.97 54.33 1se7 s LYS 82 Cb -0.02 -1.47 0.05 0.00 -1.68 0.00 0.00 37.83 34.72 1se7 s LYS 82 CO 0.84 -0.91 0.72 0.36 -0.76 0.00 0.00 175.35 175.60