#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 -3.98 -0.49 2.03 9.36 -1.26 -4.85 117.16 117.97 1se7 n TYR 2 Ca 0.00 -0.81 -0.29 0.00 3.32 0.00 0.00 57.90 60.12 1se7 n TYR 2 Cb 0.00 -0.72 0.25 0.00 -0.63 0.00 0.00 39.34 38.24 1se7 n TYR 2 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1se7 n ASP 3 N -3.64 -1.71 0.00 2.98 9.92 -1.26 -4.97 116.55 117.86 1se7 n ASP 3 Ca 0.12 -0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1se7 n ASP 3 Cb 0.40 -1.25 0.00 0.00 -0.64 0.00 0.00 41.12 39.63 1se7 n ASP 3 CO 0.00 0.00 0.00 -2.67 0.13 0.00 0.00 177.20 174.66 1se7 n TRP 4 N -4.95 0.00 -0.45 1.24 2.14 -1.26 -4.89 117.44 109.27 1se7 n TRP 4 Ca 0.03 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.45 1se7 n TRP 4 Cb 0.54 0.01 0.08 0.00 -0.81 0.00 0.00 31.31 31.12 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 4.55 0.02 -0.67 4.13 -1.26 -4.27 115.26 117.77 1se7 n ASN 5 Ca 0.00 -2.95 0.12 0.00 1.68 0.00 0.00 54.58 53.43 1se7 n ASN 5 Cb 0.06 -0.81 0.50 0.00 -1.54 0.00 0.00 39.78 37.99 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 -0.15 0.39 -0.65 2.41 2.08 -1.26 -3.15 119.36 119.03 1se7 n ILE 6 Ca 0.32 0.05 -0.18 0.00 0.56 0.00 0.00 62.75 63.50 1se7 n ILE 6 Cb 0.92 -0.68 0.13 0.00 -0.75 0.00 0.00 39.64 39.26 1se7 n ILE 6 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1se7 n ALA 7 N -1.55 4.81 -3.80 -1.39 0.00 -1.26 -4.78 120.51 112.54 1se7 n ALA 7 Ca 0.06 -2.13 -0.35 0.00 0.00 0.00 0.00 53.44 51.02 1se7 n ALA 7 Cb 0.30 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.42 3.25 -1.92 0.00 0.00 -1.19 -4.88 121.76 114.61 1se7 s ALA 8 Ca 0.42 -2.79 0.23 0.00 0.00 0.00 0.00 51.96 49.82 1se7 s ALA 8 Cb 0.35 -2.41 0.18 0.00 0.00 0.00 0.00 23.12 21.23 1se7 s ALA 8 CO 0.07 -1.89 1.20 1.63 0.00 0.00 0.00 175.76 176.78 1se7 n LYS 9 N 4.15 1.06 0.00 0.00 4.01 -1.26 -4.64 118.16 121.48 1se7 n LYS 9 Ca 0.02 -0.83 0.00 0.00 -0.51 0.00 0.00 58.31 56.99 1se7 n LYS 9 Cb 0.40 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.43 1se7 n LYS 9 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1se7 n SER 10 N -0.25 -0.30 -0.05 4.39 2.88 -1.26 -5.04 113.62 113.99 1se7 n SER 10 Ca 0.10 -0.12 -0.05 0.00 -1.33 0.00 0.00 58.87 57.47 1se7 n SER 10 Cb 0.43 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.88 1se7 n SER 10 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1se7 n GLN 11 N -0.42 0.31 0.09 -1.46 7.27 -1.26 -4.66 117.38 117.25 1se7 n GLN 11 Ca 0.00 0.12 -0.13 0.00 0.07 0.00 0.00 57.00 57.06 1se7 n GLN 11 Cb 0.00 -1.03 -0.13 0.00 2.41 0.00 0.00 30.24 31.48 1se7 n GLN 11 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1se7 h GLU 12 N -0.58 0.18 -0.35 3.69 5.08 -1.99 -3.33 114.58 117.28 1se7 h GLU 12 Ca 0.00 -0.30 0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1se7 h GLU 12 Cb 0.58 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.87 1se7 h GLU 12 CO 0.00 1.14 -0.19 0.93 -1.00 0.00 0.00 179.01 179.88 1se7 h GLU 13 N 0.05 -0.14 -0.59 2.33 4.39 -1.96 0.60 114.58 119.26 1se7 h GLU 13 Ca -0.10 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 1se7 h GLU 13 Cb 1.91 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 30.56 1se7 h GLU 13 CO 0.18 -0.09 0.16 0.07 -1.16 0.00 0.00 179.01 178.17 1se7 h ARG 14 N -0.14 0.90 0.00 2.33 0.11 -1.83 -3.13 114.38 112.63 1se7 h ARG 14 Ca 0.18 -0.18 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 1se7 h ARG 14 Cb 0.41 -0.14 -0.00 0.00 1.11 0.00 0.00 29.97 31.35 1se7 h ARG 14 CO -0.43 0.80 -0.04 -0.44 0.10 0.00 0.00 179.97 179.95 1se7 h ASP 15 N 0.87 0.00 -0.18 0.08 5.19 -1.42 -3.27 116.42 117.70 1se7 h ASP 15 Ca 0.19 -0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.58 1se7 h ASP 15 Cb 0.29 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.75 1se7 h ASP 15 CO -0.00 0.54 -0.40 0.11 -3.12 0.00 0.00 179.24 176.37 1se7 h LYS 16 N -1.00 -0.36 -0.23 3.56 1.57 0.06 0.43 116.57 120.59 1se7 h LYS 16 Ca -0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1se7 h LYS 16 Cb 0.09 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1se7 h LYS 16 CO -0.00 -0.24 0.15 -0.39 -0.57 0.00 0.00 179.45 178.40 1se7 h VAL 17 N -0.37 1.07 0.00 0.50 -1.51 -1.72 0.18 116.25 114.40 1se7 h VAL 17 Ca 0.03 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1se7 h VAL 17 Cb 0.47 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 1se7 h VAL 17 CO -0.36 0.07 0.00 0.78 -1.23 0.00 0.00 177.57 176.83 1se7 h ASN 18 N 0.30 0.00 0.51 4.19 2.35 -1.56 0.48 115.58 121.86 1se7 h ASN 18 Ca 0.08 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.56 1se7 h ASN 18 Cb -0.01 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 1se7 h ASN 18 CO -0.02 0.00 -1.67 0.55 -1.65 0.00 0.00 177.43 174.64 1se7 n VAL 19 N -2.96 1.56 -0.08 2.81 3.14 0.12 -1.52 118.33 121.41 1se7 n VAL 19 Ca -0.02 -0.78 -0.09 0.00 -2.96 0.00 0.00 64.34 60.49 1se7 n VAL 19 Cb 0.12 -1.00 0.07 0.00 -1.06 0.00 0.00 33.84 31.97 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 0.79 0.74 6.55 1.82 0.14 -2.78 116.42 123.67 1se7 h ASP 20 Ca -0.27 -0.31 -0.25 0.00 -0.39 0.00 0.00 57.03 55.81 1se7 h ASP 20 Cb 1.96 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 41.72 1se7 h ASP 20 CO 0.07 1.02 -1.33 0.17 -1.61 0.00 0.00 179.24 177.56 1se7 h LEU 21 N 0.65 0.04 -0.31 2.28 8.10 -1.24 -3.04 115.31 121.79 1se7 h LEU 21 Ca 0.08 -0.06 0.07 0.00 0.11 0.00 0.00 57.88 58.08 1se7 h LEU 21 Cb 0.81 -0.01 -0.08 0.00 -0.44 0.00 0.00 40.66 40.94 1se7 h LEU 21 CO 0.07 1.05 -0.31 0.00 -4.11 0.00 0.00 178.44 175.13 1se7 h ALA 22 N 0.95 -0.22 -0.06 0.17 0.00 -1.10 0.53 119.26 119.53 1se7 h ALA 22 Ca -0.14 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1se7 h ALA 22 Cb 1.89 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 20.33 1se7 h ALA 22 CO 0.11 -0.73 0.00 0.00 0.00 0.00 0.00 179.25 178.63 1se7 h ALA 23 N 0.68 0.08 -0.45 0.00 0.00 -1.62 -3.13 119.26 114.83 1se7 h ALA 23 Ca 0.15 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1se7 h ALA 23 Cb 0.53 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1se7 h ALA 23 CO -0.47 -0.25 -0.43 1.03 0.00 0.00 0.00 179.25 179.12 1se7 h SER 24 N -0.16 -1.49 -0.88 0.00 0.87 -1.24 -0.63 113.55 110.01 1se7 h SER 24 Ca 0.02 0.21 0.15 0.00 -1.23 0.00 0.00 61.79 60.93 1se7 h SER 24 Cb 0.31 0.63 -0.09 0.00 -0.44 0.00 0.00 62.40 62.81 1se7 h SER 24 CO 0.00 -0.27 0.48 1.23 -0.53 0.00 0.00 176.83 177.75 1se7 h GLY 25 N -0.21 1.46 0.64 5.77 0.00 -0.98 0.46 103.07 110.20 1se7 h GLY 25 Ca 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1se7 h GLY 25 CO -0.53 -0.01 -0.47 -2.08 0.00 0.00 0.00 176.54 173.45 1se7 h VAL 26 N 0.69 0.00 0.00 4.60 2.07 -1.08 -2.98 116.25 119.56 1se7 h VAL 26 Ca 0.48 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.89 1se7 h VAL 26 Cb 0.66 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1se7 h VAL 26 CO -0.35 0.00 -0.77 0.00 0.02 0.00 0.00 177.57 176.47 1se7 h ALA 27 N -1.13 0.12 -1.27 1.67 0.00 -1.15 -3.35 119.26 114.15 1se7 h ALA 27 Ca -0.08 -0.79 0.38 0.00 0.00 0.00 0.00 54.91 54.41 1se7 h ALA 27 Cb 0.87 0.53 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 1se7 h ALA 27 CO 0.04 0.51 0.86 -0.92 0.00 0.00 0.00 179.25 179.74 1se7 h TYR 28 N -1.00 0.37 0.40 0.00 3.20 -0.27 -2.12 116.97 117.55 1se7 h TYR 28 Ca -0.16 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.71 1se7 h TYR 28 Cb 0.87 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1se7 h TYR 28 CO -0.02 -0.05 -0.19 -0.22 -1.64 0.00 0.00 178.16 176.04 1se7 h LYS 29 N 0.15 -0.52 0.00 1.82 3.64 -1.53 -0.44 116.57 119.69 1se7 h LYS 29 Ca 0.70 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 60.11 1se7 h LYS 29 Cb 2.30 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 34.24 1se7 h LYS 29 CO -0.23 -0.34 0.00 0.39 -2.27 0.00 0.00 179.45 177.00 1se7 n GLU 30 N -5.13 0.26 0.05 1.90 -0.58 -0.83 -3.32 120.64 113.00 1se7 n GLU 30 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1se7 n GLU 30 Cb 0.21 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 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 -0.54 0.00 0.00 3.49 3.00 -1.00 -4.98 116.66 116.63 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 -0.35 0.00 0.00 0.00 0.00 0.00 32.46 32.11 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 -3.33 0.00 -3.86 0.55 7.99 -0.18 -3.24 117.00 114.94 1se7 n LEU 32 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 56.01 55.65 1se7 n LEU 32 Cb 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.26 1se7 n LEU 32 CO 0.00 0.00 0.44 -3.20 -1.51 0.00 0.00 177.39 173.12 1se7 n ASN 33 N 0.00 4.56 -3.99 -1.43 5.15 -1.26 -4.75 115.26 113.53 1se7 n ASN 33 Ca 0.00 -3.30 -0.31 0.00 -0.60 0.00 0.00 54.58 50.36 1se7 n ASN 33 Cb 0.00 -0.97 -0.15 0.00 -0.53 0.00 0.00 39.78 38.13 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 -2.08 2.01 -1.30 -1.44 1.09 -1.26 -5.01 121.20 113.22 1se7 s ILE 34 Ca 0.32 -1.92 -0.15 0.00 -1.10 0.00 0.00 60.65 57.80 1se7 s ILE 34 Cb 0.03 -2.36 0.11 0.00 -1.06 0.00 0.00 42.46 39.18 1se7 s ILE 34 CO -0.04 -0.40 1.75 -0.81 -0.10 0.00 0.00 174.94 175.34 1se7 n PRO 35 N 4.41 3.26 -4.08 2.79 -0.04 -1.26 -4.20 135.00 135.88 1se7 n PRO 35 Ca -0.03 -3.38 -0.14 0.00 -0.04 0.00 0.00 63.50 59.91 1se7 n PRO 35 Cb 0.42 -3.24 -0.12 0.00 -0.04 0.00 0.00 33.50 30.53 1se7 n PRO 35 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1se7 s VAL 36 N 2.67 0.59 -0.17 0.52 1.01 -1.26 -4.66 120.40 119.10 1se7 s VAL 36 Ca 0.47 -1.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 1se7 s VAL 36 Cb 0.04 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 1se7 s VAL 36 CO 0.02 -0.35 0.26 -0.63 0.00 0.00 0.00 175.10 174.40 1se7 s ILE 37 N -1.33 5.33 0.03 2.22 -1.09 -1.26 -4.83 121.20 120.27 1se7 s ILE 37 Ca -0.09 0.48 -0.19 0.00 -2.23 0.00 0.00 60.65 58.62 1se7 s ILE 37 Cb -0.10 -3.60 -0.18 0.00 -1.58 0.00 0.00 42.46 37.00 1se7 s ILE 37 CO 0.01 0.40 1.22 0.00 -1.23 0.00 0.00 174.94 175.34 1se7 h ALA 38 N 6.66 0.19 -0.47 9.38 0.00 -1.93 -3.18 119.26 129.90 1se7 h ALA 38 Ca -0.41 -0.48 0.14 0.00 0.00 0.00 0.00 54.91 54.15 1se7 h ALA 38 Cb 1.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1se7 h ALA 38 CO 0.76 0.33 0.64 0.93 0.00 0.00 0.00 179.25 181.90 1se7 h GLU 39 N 0.05 0.00 0.03 0.00 4.39 -1.97 0.49 114.58 117.57 1se7 h GLU 39 Ca -0.03 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.46 1se7 h GLU 39 Cb 1.09 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.76 1se7 h GLU 39 CO 0.09 0.00 -0.87 1.96 -1.16 0.00 0.00 179.01 179.04 1se7 h GLN 40 N 0.00 0.53 0.00 2.33 4.20 -1.98 -2.32 115.11 117.86 1se7 h GLN 40 Ca 0.23 -0.61 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1se7 h GLN 40 Cb 1.50 0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.47 1se7 h GLN 40 CO -0.00 1.23 0.00 -0.39 -0.67 0.00 0.00 178.83 179.00 1se7 h VAL 41 N 0.09 0.00 0.09 -0.54 -1.51 -0.32 -3.29 116.25 110.77 1se7 h VAL 41 Ca -0.12 -0.73 -0.31 0.00 -1.23 0.00 0.00 66.70 64.31 1se7 h VAL 41 Cb 1.56 1.73 -0.02 0.00 -2.13 0.00 0.00 31.29 32.44 1se7 h VAL 41 CO 0.17 0.00 -1.59 0.00 -1.23 0.00 0.00 177.57 174.91 1se7 h ALA 42 N 2.25 0.38 0.00 5.19 0.00 -0.43 -2.31 119.26 124.34 1se7 h ALA 42 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.71 1se7 h ALA 42 Cb 0.86 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1se7 h ALA 42 CO 0.00 1.24 0.00 2.89 0.00 0.00 0.00 179.25 183.38 1se7 n ARG 43 N -3.38 0.06 0.00 0.00 -4.01 -0.88 -3.71 116.66 104.74 1se7 n ARG 43 Ca -0.18 0.23 -0.00 0.00 -1.04 0.00 0.00 57.85 56.86 1se7 n ARG 43 Cb 1.04 -1.50 -0.00 0.00 -3.04 0.00 0.00 32.46 28.96 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 -1.26 0.00 -3.17 2.89 0.28 -1.24 -5.09 120.64 113.05 1se7 n GLU 44 Ca 0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.86 1se7 n GLU 44 Cb 0.03 -0.04 0.01 0.00 1.43 0.00 0.00 31.44 32.87 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 -1.95 -1.73 3.44 6.02 -0.87 -4.83 117.38 114.88 1se7 n GLN 45 Ca -0.00 1.66 -0.42 0.00 -0.01 0.00 0.00 57.00 58.23 1se7 n GLN 45 Cb 0.00 -4.40 -0.03 0.00 1.02 0.00 0.00 30.24 26.83 1se7 n GLN 45 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1se7 s PRO 46 N -2.94 4.12 -0.02 -1.09 0.02 -1.26 -4.91 135.00 128.91 1se7 s PRO 46 Ca 0.20 2.51 -0.22 0.00 0.02 0.00 0.00 61.00 63.51 1se7 s PRO 46 Cb -0.04 -4.14 -0.24 0.00 0.02 0.00 0.00 34.50 30.11 1se7 s PRO 46 CO 0.81 -0.97 1.06 1.49 -0.33 0.00 0.00 177.00 179.06 1se7 h GLU 47 N 10.53 0.29 0.00 5.54 4.57 -1.98 -1.99 114.58 131.55 1se7 h GLU 47 Ca -0.47 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.39 1se7 h GLU 47 Cb 1.23 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1se7 h GLU 47 CO 0.94 1.02 0.16 0.09 -1.18 0.00 0.00 179.01 180.05 1se7 n ASN 48 N -4.35 0.22 -0.85 1.04 4.13 -1.26 -0.64 115.26 113.54 1se7 n ASN 48 Ca -0.10 0.50 0.03 0.00 1.68 0.00 0.00 54.58 56.69 1se7 n ASN 48 Cb 0.59 -0.50 0.04 0.00 -1.54 0.00 0.00 39.78 38.38 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 -1.76 0.90 0.27 3.41 7.99 -1.20 -4.82 117.00 121.79 1se7 n LEU 49 Ca -0.01 -1.89 0.11 0.00 -0.01 0.00 0.00 56.01 54.21 1se7 n LEU 49 Cb 0.18 -0.10 0.75 0.00 -0.11 0.00 0.00 43.42 44.14 1se7 n LEU 49 CO 0.04 0.51 1.06 -0.09 -1.51 0.00 0.00 177.39 177.39 1se7 h ARG 50 N 0.49 0.00 -0.11 3.23 9.65 -0.08 -2.01 114.38 125.54 1se7 h ARG 50 Ca -0.09 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.68 1se7 h ARG 50 Cb 1.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.10 1se7 h ARG 50 CO 0.04 0.04 -0.36 1.15 2.80 0.00 0.00 179.97 183.64 1se7 h THR 51 N 0.00 1.38 0.08 0.20 2.02 -1.87 -3.19 112.91 111.53 1se7 h THR 51 Ca -0.00 -1.69 0.01 0.00 0.77 0.00 0.00 66.41 65.50 1se7 h THR 51 Cb 0.09 2.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 1se7 h THR 51 CO 0.01 0.50 -0.12 0.22 0.37 0.00 0.00 175.52 176.50 1se7 h TYR 52 N 0.00 -0.30 -1.10 3.16 3.20 -1.75 -0.81 116.97 119.38 1se7 h TYR 52 Ca -0.01 0.00 0.31 0.00 3.14 0.00 0.00 58.73 62.17 1se7 h TYR 52 Cb 0.98 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 39.32 1se7 h TYR 52 CO 0.11 -0.18 0.77 0.35 -1.64 0.00 0.00 178.16 177.58 1se7 h PHE 53 N -0.24 0.19 0.23 -3.82 3.04 -1.52 0.28 116.94 115.10 1se7 h PHE 53 Ca 0.02 0.01 -0.32 0.00 3.98 0.00 0.00 57.97 61.65 1se7 h PHE 53 Cb 0.25 -0.05 0.04 0.00 2.56 0.00 0.00 35.95 38.74 1se7 h PHE 53 CO -0.14 0.01 -1.39 0.52 -2.02 0.00 0.00 178.31 175.30 1se7 h MET 54 N 0.11 0.54 -0.20 1.11 2.86 -1.29 0.30 114.93 118.36 1se7 h MET 54 Ca 0.55 -0.88 0.03 0.00 -2.06 0.00 0.00 59.70 57.34 1se7 h MET 54 Cb 1.97 0.32 -0.03 0.00 0.06 0.00 0.00 31.60 33.93 1se7 h MET 54 CO -0.09 1.42 0.01 0.93 1.06 0.00 0.00 176.91 180.24 1se7 h GLU 55 N 0.11 0.07 -0.24 1.72 5.08 0.85 -0.19 114.58 121.99 1se7 h GLU 55 Ca -0.24 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.95 1se7 h GLU 55 Cb 2.09 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.32 1se7 h GLU 55 CO 0.26 0.05 -0.53 -0.09 -1.00 0.00 0.00 179.01 177.70 1se7 h ARG 56 N 0.08 0.69 -0.27 2.33 9.65 -1.15 -2.48 114.38 123.23 1se7 h ARG 56 Ca 0.09 -0.43 0.06 0.00 -1.10 0.00 0.00 59.98 58.60 1se7 h ARG 56 Cb 0.11 0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.65 1se7 h ARG 56 CO -0.15 1.05 -0.38 1.25 2.80 0.00 0.00 179.97 184.54 1se7 h LEU 57 N 0.54 -1.23 -0.76 3.80 5.85 -0.12 0.11 115.31 123.50 1se7 h LEU 57 Ca 0.02 0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.81 1se7 h LEU 57 Cb 1.09 0.53 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 1se7 h LEU 57 CO 0.11 -0.37 -0.24 0.08 -0.34 0.00 0.00 178.44 177.68 1se7 h ARG 58 N -0.37 0.69 0.70 1.25 0.11 -1.10 -2.13 114.38 113.52 1se7 h ARG 58 Ca 0.12 -0.27 -0.03 0.00 0.10 0.00 0.00 59.98 59.89 1se7 h ARG 58 Cb 0.58 -0.03 0.01 0.00 1.11 0.00 0.00 29.97 31.63 1se7 h ARG 58 CO -0.47 0.86 -0.33 1.25 0.10 0.00 0.00 179.97 181.37 1se7 h HIS 59 N 0.60 -0.87 0.00 4.08 2.76 -0.84 -2.40 115.15 118.48 1se7 h HIS 59 Ca 0.08 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.19 1se7 h HIS 59 Cb 0.72 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 1se7 h HIS 59 CO 0.03 -0.51 -0.19 0.10 -1.30 0.00 0.00 177.93 176.06 1se7 h TYR 60 N -1.12 0.00 -0.55 5.26 -0.00 -0.89 -1.51 116.97 118.15 1se7 h TYR 60 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.61 1se7 h TYR 60 Cb 0.75 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.45 1se7 h TYR 60 CO -0.00 0.19 0.26 -0.09 -0.00 0.00 0.00 178.16 178.52 1se7 h ARG 61 N 0.00 0.78 -0.32 0.10 2.43 -1.26 1.15 114.38 117.26 1se7 h ARG 61 Ca -0.00 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1se7 h ARG 61 Cb 0.53 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1se7 h ARG 61 CO 0.02 0.61 0.10 1.96 -1.51 0.00 0.00 179.97 181.15 1se7 h GLN 62 N 0.78 0.46 0.00 0.20 4.20 -0.75 0.76 115.11 120.76 1se7 h GLN 62 Ca 0.19 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1se7 h GLN 62 Cb 0.09 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1se7 h GLN 62 CO -0.03 0.41 -0.52 -0.07 -0.67 0.00 0.00 178.83 177.96 1se7 h LEU 63 N 0.46 0.00 -2.49 1.46 3.38 -0.84 -3.13 115.31 114.15 1se7 h LEU 63 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1se7 h LEU 63 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1se7 h LEU 63 CO -0.01 0.08 -0.00 0.28 0.09 0.00 0.00 178.44 178.88 1se7 h SER 64 N 0.00 0.00 0.02 -0.43 0.02 0.37 0.71 113.55 114.24 1se7 h SER 64 Ca -0.01 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.70 1se7 h SER 64 Cb 1.07 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 1se7 h SER 64 CO 0.01 0.00 -1.31 -0.07 -1.14 0.00 0.00 176.83 174.32 1se7 h LEU 65 N 0.00 0.07 -0.12 5.07 3.38 -1.43 -3.40 115.31 118.87 1se7 h LEU 65 Ca -0.00 -0.59 -0.04 0.00 0.09 0.00 0.00 57.88 57.34 1se7 h LEU 65 Cb 0.17 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1se7 h LEU 65 CO 0.00 1.52 -0.06 0.06 0.09 0.00 0.00 178.44 180.05 1se7 h GLN 66 N -0.84 0.26 -6.42 1.13 -0.00 -1.41 -3.40 115.11 104.43 1se7 h GLN 66 Ca -0.34 -0.11 -0.42 0.00 -0.00 0.00 0.00 58.65 57.77 1se7 h GLN 66 Cb 1.40 -0.01 0.22 0.00 -0.00 0.00 0.00 27.48 29.10 1se7 h GLN 66 CO -0.16 0.60 -1.29 1.28 -0.00 0.00 0.00 178.83 179.26 1se7 n LEU 67 N -4.69 -2.33 -4.81 0.06 4.32 0.24 -4.57 117.00 105.23 1se7 n LEU 67 Ca -0.06 -0.15 -0.30 0.00 -0.02 0.00 0.00 56.01 55.48 1se7 n LEU 67 Cb 0.28 -0.83 0.22 0.00 -1.62 0.00 0.00 43.42 41.48 1se7 n LEU 67 CO 0.37 -2.97 0.80 -2.16 -1.22 0.00 0.00 177.39 172.21 1se7 s PRO 68 N -3.14 -0.29 0.40 3.23 0.04 -1.26 -4.50 135.00 129.48 1se7 s PRO 68 Ca 0.48 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1se7 s PRO 68 Cb -0.06 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1se7 s PRO 68 CO 0.60 -3.04 0.00 1.63 0.04 0.00 0.00 177.00 176.24 1se7 n LYS 69 N -4.21 -4.77 0.00 4.56 5.02 -1.26 -4.05 118.16 113.45 1se7 n LYS 69 Ca 0.16 3.47 0.00 0.00 -2.02 0.00 0.00 58.31 59.92 1se7 n LYS 69 Cb 0.59 -3.90 0.00 0.00 -0.02 0.00 0.00 35.03 31.70 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 0.16 1.51 3.63 0.72 0.00 -1.20 -4.19 105.19 105.82 1se7 n GLY 70 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1se7 n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1se7 s SER 71 N 0.00 -0.76 -0.26 1.61 0.15 -1.26 -5.13 113.70 108.05 1se7 s SER 71 Ca 0.00 1.41 -0.02 0.00 0.70 0.00 0.00 55.95 58.04 1se7 s SER 71 Cb 0.00 1.40 0.12 0.00 -1.71 0.00 0.00 66.02 65.83 1se7 s SER 71 CO 0.00 -0.24 0.26 -1.81 1.20 0.00 0.00 173.24 172.65 1se7 s ASP 72 N 0.61 1.80 -0.05 5.45 1.11 -1.26 -4.22 116.67 120.11 1se7 s ASP 72 Ca -0.02 -0.65 -0.26 0.00 0.18 0.00 0.00 52.55 51.80 1se7 s ASP 72 Cb -0.05 0.38 -0.22 0.00 1.07 0.00 0.00 42.92 44.10 1se7 s ASP 72 CO -0.04 -0.38 1.12 -0.65 1.18 0.00 0.00 175.17 176.41 1se7 h PRO 73 N 8.29 0.06 0.00 8.23 0.11 -1.82 -3.40 132.00 143.48 1se7 h PRO 73 Ca -0.15 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1se7 h PRO 73 Cb 1.09 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1se7 h PRO 73 CO 0.33 0.70 -0.07 0.00 -0.21 0.00 0.00 178.00 178.75 1se7 n ALA 74 N -2.44 1.18 -1.57 -0.75 0.00 -1.26 -4.93 120.51 110.75 1se7 n ALA 74 Ca -0.09 -0.60 -0.33 0.00 0.00 0.00 0.00 53.44 52.43 1se7 n ALA 74 Cb 0.35 -0.08 0.03 0.00 0.00 0.00 0.00 19.45 19.76 1se7 n ALA 74 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1se7 s TYR 75 N -0.04 2.81 -0.05 0.00 6.14 -1.26 -5.03 117.35 119.91 1se7 s TYR 75 Ca 0.00 1.53 -0.14 0.00 0.64 0.00 0.00 57.07 59.10 1se7 s TYR 75 Cb 0.00 -3.07 -0.05 0.00 0.42 0.00 0.00 41.96 39.26 1se7 s TYR 75 CO 0.00 -1.42 0.36 -0.65 0.64 0.00 0.00 175.55 174.47 1se7 s GLN 76 N -4.20 3.95 0.25 4.97 -1.52 -1.26 -4.96 119.66 116.89 1se7 s GLN 76 Ca 0.65 0.29 -0.23 0.00 -1.95 0.00 0.00 55.36 54.11 1se7 s GLN 76 Cb -0.18 -3.27 -0.09 0.00 -0.22 0.00 0.00 33.01 29.25 1se7 s GLN 76 CO 0.41 0.58 0.81 -1.59 -0.25 0.00 0.00 175.29 175.26 1se7 s LYS 77 N -0.65 4.42 -0.04 2.91 -2.85 -1.26 -4.98 119.74 117.29 1se7 s LYS 77 Ca 0.21 1.08 0.21 0.00 -1.00 0.00 0.00 55.97 56.48 1se7 s LYS 77 Cb -0.15 -2.91 -0.32 0.00 -2.06 0.00 0.00 37.83 32.39 1se7 s LYS 77 CO 0.10 0.38 0.44 -0.25 0.10 0.00 0.00 175.35 176.12 1se7 n ASP 78 N 0.79 0.21 0.00 0.03 9.92 -1.26 -4.84 116.55 121.39 1se7 n ASP 78 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1se7 n ASP 78 Cb 0.50 1.90 0.00 0.00 -0.64 0.00 0.00 41.12 42.88 1se7 n ASP 78 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1se7 n ASP 79 N -2.26 0.00 -2.69 -2.24 5.75 -1.26 -5.07 116.55 108.78 1se7 n ASP 79 Ca -0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.68 1se7 n ASP 79 Cb 0.58 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.72 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 -2.12 -3.23 -3.36 2.12 0.00 -1.26 -5.11 120.51 107.55 1se7 n ALA 80 Ca 0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 53.44 52.95 1se7 n ALA 80 Cb 0.00 -2.83 -0.08 0.00 0.00 0.00 0.00 19.45 16.54 1se7 n ALA 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1se7 s VAL 81 N 0.71 -0.40 -0.02 0.00 0.11 -1.26 -5.14 120.40 114.40 1se7 s VAL 81 Ca 0.26 -0.76 0.04 0.00 -2.93 0.00 0.00 61.98 58.58 1se7 s VAL 81 Cb 0.14 -0.77 -0.03 0.00 -1.53 0.00 0.00 36.38 34.19 1se7 s VAL 81 CO -0.10 -0.51 -0.12 -1.59 -3.33 0.00 0.00 175.10 169.45 1se7 s LYS 82 N 1.80 2.47 0.00 1.54 -2.85 -1.26 -4.44 119.74 117.00 1se7 s LYS 82 Ca 0.14 -0.74 0.00 0.00 -1.00 0.00 0.00 55.97 54.37 1se7 s LYS 82 Cb -0.14 -2.41 0.00 0.00 -2.06 0.00 0.00 37.83 33.22 1se7 s LYS 82 CO -0.14 0.61 0.09 1.63 0.10 0.00 0.00 175.35 177.64