#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1st7 n SER 2 N 0.00 0.00 0.01 -1.34 7.64 -1.26 -3.62 113.62 115.06 1st7 n SER 2 Ca 0.00 -1.30 -0.13 0.00 1.01 0.00 0.00 58.87 58.45 1st7 n SER 2 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1st7 n SER 2 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1st7 h GLN 3 N 0.00 -0.09 0.00 1.43 5.75 -1.99 -2.47 115.11 117.75 1st7 h GLN 3 Ca 0.00 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.44 1st7 h GLN 3 Cb 0.00 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 1st7 h GLN 3 CO 0.00 0.41 -0.32 1.37 -2.65 0.00 0.00 178.83 177.64 1st7 h LEU 4 N -0.64 0.00 -0.12 -2.39 -0.00 -1.96 -0.57 115.31 109.63 1st7 h LEU 4 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.90 1st7 h LEU 4 Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.17 1st7 h LEU 4 CO 0.02 0.32 -0.07 0.15 -0.00 0.00 0.00 178.44 178.86 1st7 h PHE 5 N 0.00 -0.16 0.00 0.17 3.57 -1.68 -0.78 116.94 118.06 1st7 h PHE 5 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1st7 h PHE 5 Cb 0.66 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1st7 h PHE 5 CO 0.00 -0.11 0.00 0.39 -2.23 0.00 0.00 178.31 176.36 1st7 n GLU 6 N -5.20 0.11 0.29 1.11 1.02 -0.66 -0.12 120.64 117.18 1st7 n GLU 6 Ca -0.04 0.09 -0.14 0.00 -0.02 0.00 0.00 57.16 57.05 1st7 n GLU 6 Cb 0.13 -1.63 -0.07 0.00 -0.02 0.00 0.00 31.44 29.85 1st7 n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1st7 h GLU 7 N 0.00 -0.73 0.16 3.49 4.39 -0.80 -3.35 114.58 117.74 1st7 h GLU 7 Ca 0.00 0.05 -0.30 0.00 0.34 0.00 0.00 59.36 59.45 1st7 h GLU 7 Cb 0.60 0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1st7 h GLU 7 CO 0.00 -0.43 -1.38 0.87 -1.16 0.00 0.00 179.01 176.92 1st7 h LYS 8 N -1.07 0.33 -0.37 2.33 1.57 -1.02 -3.34 116.57 115.01 1st7 h LYS 8 Ca -0.08 -0.57 -0.16 0.00 -1.87 0.00 0.00 60.65 57.97 1st7 h LYS 8 Cb 0.64 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1st7 h LYS 8 CO 0.13 1.25 -0.40 0.00 -0.57 0.00 0.00 179.45 179.86 1st7 h ALA 9 N 0.45 0.59 0.00 3.86 0.00 -0.72 -2.69 119.26 120.75 1st7 h ALA 9 Ca -0.19 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 1st7 h ALA 9 Cb 2.03 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 1st7 h ALA 9 CO 0.21 0.68 -0.02 0.87 0.00 0.00 0.00 179.25 180.99 1st7 h LYS 10 N 0.73 0.00 0.00 0.00 1.79 -1.72 -2.17 116.57 115.20 1st7 h LYS 10 Ca 0.06 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1st7 h LYS 10 Cb 0.99 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1st7 h LYS 10 CO 0.10 0.02 -0.00 0.00 -1.08 0.00 0.00 179.45 178.49 1st7 h ALA 11 N 1.98 -0.00 0.00 3.86 0.00 -1.60 -3.37 119.26 120.12 1st7 h ALA 11 Ca -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1st7 h ALA 11 Cb 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1st7 h ALA 11 CO 0.00 -0.02 -0.06 -0.39 0.00 0.00 0.00 179.25 178.78 1st7 h VAL 12 N -0.97 0.23 0.00 0.00 -1.51 -1.28 -0.10 116.25 112.62 1st7 h VAL 12 Ca -0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1st7 h VAL 12 Cb 0.94 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 1st7 h VAL 12 CO 0.00 0.06 0.00 0.78 -1.23 0.00 0.00 177.57 177.18 1st7 h ASN 13 N 0.00 0.00 0.00 4.19 2.35 -1.56 -3.34 115.58 117.22 1st7 h ASN 13 Ca -0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1st7 h ASN 13 Cb 0.37 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.57 1st7 h ASN 13 CO 0.01 0.00 -0.68 -1.84 -1.65 0.00 0.00 177.43 173.26 1st7 n GLU 14 N -3.03 0.00 -1.89 0.81 0.28 -0.38 -4.98 120.64 111.45 1st7 n GLU 14 Ca 0.00 -1.36 -0.33 0.00 -0.16 0.00 0.00 57.16 55.31 1st7 n GLU 14 Cb 0.28 -0.17 0.03 0.00 1.43 0.00 0.00 31.44 33.01 1st7 n GLU 14 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1st7 s LEU 15 N 0.00 3.48 0.47 -1.84 2.96 -0.19 -4.93 118.68 118.62 1st7 s LEU 15 Ca 0.15 2.02 0.27 0.00 -0.22 0.00 0.00 54.13 56.34 1st7 s LEU 15 Cb 0.17 -4.56 0.86 0.00 0.50 0.00 0.00 46.19 43.16 1st7 s LEU 15 CO -0.07 -1.50 1.79 1.55 -1.32 0.00 0.00 176.35 176.81 1st7 h PRO 16 N 0.32 0.00 -3.14 0.98 0.13 -1.85 -3.09 132.00 125.34 1st7 h PRO 16 Ca -0.47 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.87 1st7 h PRO 16 Cb 1.25 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.08 1st7 h PRO 16 CO 0.55 0.09 0.48 2.41 -0.23 0.00 0.00 178.00 181.30 1st7 n THR 17 N -3.17 4.63 -1.61 1.56 -1.04 -1.25 -5.05 114.28 108.35 1st7 n THR 17 Ca 0.02 -5.61 -0.37 0.00 -2.04 0.00 0.00 64.05 56.05 1st7 n THR 17 Cb 0.43 -2.30 0.07 0.00 -1.82 0.00 0.00 70.33 66.72 1st7 n THR 17 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1st7 n LYS 18 N 1.88 0.90 -1.86 -2.82 5.02 -1.17 -4.76 118.16 115.35 1st7 n LYS 18 Ca 0.25 0.36 -0.41 0.00 -2.02 0.00 0.00 58.31 56.49 1st7 n LYS 18 Cb 0.36 -2.38 -0.00 0.00 -0.02 0.00 0.00 35.03 32.98 1st7 n LYS 18 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1st7 s PRO 19 N -3.25 4.12 0.71 1.97 0.02 -1.26 -4.97 135.00 132.34 1st7 s PRO 19 Ca 0.79 2.50 -0.11 0.00 0.02 0.00 0.00 61.00 64.20 1st7 s PRO 19 Cb -0.38 -2.96 0.02 0.00 0.02 0.00 0.00 34.50 31.19 1st7 s PRO 19 CO 0.44 -0.49 1.07 -1.12 -0.33 0.00 0.00 177.00 176.56 1st7 s SER 20 N -0.23 5.20 0.17 2.53 0.01 -1.26 -4.68 113.70 115.44 1st7 s SER 20 Ca 0.53 1.69 -0.15 0.00 1.31 0.00 0.00 55.95 59.32 1st7 s SER 20 Cb -0.45 -2.50 0.10 0.00 0.21 0.00 0.00 66.02 63.38 1st7 s SER 20 CO 0.61 -1.57 1.74 0.00 0.41 0.00 0.00 173.24 174.43 1st7 h THR 21 N -0.72 0.83 0.00 1.44 1.03 -1.99 0.23 112.91 113.73 1st7 h THR 21 Ca -0.44 -0.09 -0.03 0.00 -0.01 0.00 0.00 66.41 65.84 1st7 h THR 21 Cb 1.22 0.55 -0.01 0.00 -1.07 0.00 0.00 68.15 68.84 1st7 h THR 21 CO 0.55 0.05 -0.73 -2.24 -0.01 0.00 0.00 175.52 173.14 1st7 h ASP 22 N 0.26 0.00 0.06 0.00 2.03 -2.02 -3.28 116.42 113.46 1st7 h ASP 22 Ca 0.19 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.30 1st7 h ASP 22 Cb 0.21 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.71 1st7 h ASP 22 CO -0.22 0.13 -0.70 -0.33 -1.03 0.00 0.00 179.24 177.09 1st7 h GLU 23 N 0.00 0.57 -0.97 4.15 5.08 -1.79 -3.28 114.58 118.34 1st7 h GLU 23 Ca -0.02 -0.44 0.17 0.00 -1.00 0.00 0.00 59.36 58.06 1st7 h GLU 23 Cb 1.12 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 30.35 1st7 h GLU 23 CO 0.01 1.06 0.58 1.25 -1.00 0.00 0.00 179.01 180.91 1st7 h LEU 24 N 0.41 0.76 -0.20 1.33 5.85 -0.63 -0.50 115.31 122.32 1st7 h LEU 24 Ca -0.03 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1st7 h LEU 24 Cb 1.28 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1st7 h LEU 24 CO 0.13 0.31 0.11 0.25 -0.34 0.00 0.00 178.44 178.90 1st7 h LEU 25 N 0.78 0.24 -0.20 2.25 7.12 -1.67 0.34 115.31 124.16 1st7 h LEU 25 Ca 0.54 -0.07 -0.02 0.00 0.13 0.00 0.00 57.88 58.46 1st7 h LEU 25 Cb 0.76 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.82 1st7 h LEU 25 CO -0.35 0.24 0.06 -0.33 -0.13 0.00 0.00 178.44 177.93 1st7 h GLU 26 N 0.23 0.32 -0.62 1.25 5.08 -1.61 -0.61 114.58 118.61 1st7 h GLU 26 Ca 0.07 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1st7 h GLU 26 Cb 0.05 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1st7 h GLU 26 CO -0.01 0.43 0.25 -0.07 -1.00 0.00 0.00 179.01 178.60 1st7 h LEU 27 N 0.15 0.82 0.59 1.33 3.38 -0.98 -1.13 115.31 119.47 1st7 h LEU 27 Ca 0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1st7 h LEU 27 Cb 0.25 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1st7 h LEU 27 CO -0.00 0.74 -0.36 0.22 0.09 0.00 0.00 178.44 179.12 1st7 h TYR 28 N 0.89 -0.96 -0.36 1.13 5.03 -0.23 0.58 116.97 123.05 1st7 h TYR 28 Ca 0.21 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.59 1st7 h TYR 28 Cb 0.17 0.34 -0.08 0.00 1.55 0.00 0.00 36.73 38.72 1st7 h TYR 28 CO 0.01 -0.55 -0.17 0.00 -1.32 0.00 0.00 178.16 176.13 1st7 h ALA 29 N -0.56 0.11 -0.09 1.82 0.00 -0.72 0.14 119.26 119.95 1st7 h ALA 29 Ca -0.07 0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 1st7 h ALA 29 Cb 0.73 0.41 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1st7 h ALA 29 CO 0.07 -0.55 -0.82 -0.07 0.00 0.00 0.00 179.25 177.89 1st7 h LEU 30 N -0.11 0.72 0.27 0.00 -0.00 -1.28 -1.19 115.31 113.73 1st7 h LEU 30 Ca 0.18 -0.50 -0.01 0.00 -0.00 0.00 0.00 57.88 57.55 1st7 h LEU 30 Cb 0.38 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1st7 h LEU 30 CO -0.43 1.28 -0.13 0.22 -0.00 0.00 0.00 178.44 179.38 1st7 h TYR 31 N 0.39 -0.34 -0.82 1.13 3.20 -0.56 -2.39 116.97 117.57 1st7 h TYR 31 Ca -0.06 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.83 1st7 h TYR 31 Cb 1.43 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 39.77 1st7 h TYR 31 CO 0.07 -0.13 0.54 0.87 -1.64 0.00 0.00 178.16 177.88 1st7 h LYS 32 N -0.48 1.01 -0.12 1.82 1.79 -0.79 0.36 116.57 120.15 1st7 h LYS 32 Ca -0.04 -0.06 0.03 0.00 -2.18 0.00 0.00 60.65 58.40 1st7 h LYS 32 Cb 0.36 -0.23 -0.06 0.00 -1.58 0.00 0.00 32.23 30.73 1st7 h LYS 32 CO 0.06 0.67 -0.47 1.96 -1.08 0.00 0.00 179.45 180.59 1st7 h GLN 33 N 1.04 -0.48 0.00 3.15 4.20 -1.08 -2.37 115.11 119.58 1st7 h GLN 33 Ca 0.32 0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.04 1st7 h GLN 33 Cb 0.00 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1st7 h GLN 33 CO -0.09 -0.32 -0.55 0.00 -0.67 0.00 0.00 178.83 177.20 1st7 h ALA 34 N -0.46 0.75 0.59 3.87 0.00 -1.26 0.02 119.26 122.77 1st7 h ALA 34 Ca 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1st7 h ALA 34 Cb 0.58 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1st7 h ALA 34 CO -0.38 0.16 -0.28 1.15 0.00 0.00 0.00 179.25 179.90 1st7 h THR 35 N 0.00 0.00 0.00 0.00 2.02 -0.85 -3.35 112.91 110.74 1st7 h THR 35 Ca -0.02 -0.10 -0.20 0.00 0.77 0.00 0.00 66.41 66.86 1st7 h THR 35 Cb 1.10 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1st7 h THR 35 CO 0.01 0.00 -1.33 -0.37 0.37 0.00 0.00 175.52 174.21 1st7 h VAL 36 N -0.89 0.80 0.00 3.16 -1.51 -1.57 -3.49 116.25 112.76 1st7 h VAL 36 Ca -0.08 -2.41 0.00 0.00 -1.23 0.00 0.00 66.70 62.98 1st7 h VAL 36 Cb 0.60 2.30 0.00 0.00 -2.13 0.00 0.00 31.29 32.06 1st7 h VAL 36 CO 0.13 0.46 0.00 0.61 -1.23 0.00 0.00 177.57 177.54 1st7 n GLY 37 N 1.41 1.93 3.25 5.19 0.00 -0.01 -4.99 105.19 111.97 1st7 n GLY 37 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 1st7 n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1st7 s ASP 38 N -2.24 0.16 -0.29 1.61 1.01 -1.26 -4.03 116.67 111.62 1st7 s ASP 38 Ca 0.00 -0.94 -0.34 0.00 0.71 0.00 0.00 52.55 51.99 1st7 s ASP 38 Cb 0.00 0.37 -0.10 0.00 1.01 0.00 0.00 42.92 44.19 1st7 s ASP 38 CO 0.00 -0.80 2.15 -0.46 0.21 0.00 0.00 175.17 176.26 1st7 n ASN 39 N -0.14 2.50 0.00 0.27 6.94 -0.64 -4.86 115.26 119.33 1st7 n ASN 39 Ca -0.09 0.46 0.00 0.00 -0.02 0.00 0.00 54.58 54.93 1st7 n ASN 39 Cb 0.63 -1.33 0.00 0.00 -2.36 0.00 0.00 39.78 36.72 1st7 n ASN 39 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1st7 n ASP 40 N 9.69 0.00 -4.46 0.53 2.03 -1.26 -4.88 116.55 118.20 1st7 n ASP 40 Ca 0.37 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 55.24 1st7 n ASP 40 Cb 0.27 -0.12 -0.00 0.00 -0.72 0.00 0.00 41.12 40.55 1st7 n ASP 40 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1st7 s LYS 41 N -0.47 4.04 -0.38 -0.67 -0.14 -1.26 -4.88 119.74 115.98 1st7 s LYS 41 Ca 0.00 -2.51 -0.07 0.00 -1.36 0.00 0.00 55.97 52.03 1st7 s LYS 41 Cb 0.00 -5.03 -0.22 0.00 -1.68 0.00 0.00 37.83 30.90 1st7 s LYS 41 CO 0.00 -1.75 3.40 -1.91 -0.76 0.00 0.00 175.35 174.33 1st7 n GLU 42 N 5.65 2.35 -2.98 1.68 2.13 -1.26 -4.00 120.64 124.22 1st7 n GLU 42 Ca 0.35 -1.26 -0.02 0.00 0.66 0.00 0.00 57.16 56.89 1st7 n GLU 42 Cb 0.43 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 29.97 1st7 n GLU 42 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1st7 s LYS 43 N 1.34 0.94 0.65 5.31 2.20 -1.26 -5.14 119.74 123.78 1st7 s LYS 43 Ca 0.66 -0.66 -0.15 0.00 -0.36 0.00 0.00 55.97 55.45 1st7 s LYS 43 Cb 0.28 0.02 -0.01 0.00 -1.51 0.00 0.00 37.83 36.62 1st7 s LYS 43 CO -0.01 -1.25 1.10 -1.25 -0.36 0.00 0.00 175.35 173.58 1st7 s PRO 44 N 1.36 2.88 0.04 4.03 0.04 -1.26 -5.02 135.00 137.07 1st7 s PRO 44 Ca 0.23 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 1st7 s PRO 44 Cb -0.02 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1st7 s PRO 44 CO -0.06 -1.18 0.04 0.41 0.04 0.00 0.00 177.00 176.25 1st7 n GLY 45 N -0.60 -1.56 0.11 0.56 0.00 -1.26 -4.90 105.19 97.54 1st7 n GLY 45 Ca 0.10 -1.60 -0.22 0.00 0.00 0.00 0.00 46.02 44.30 1st7 n GLY 45 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1st7 n ILE 46 N -2.23 1.58 1.38 -0.61 -5.35 -1.26 -3.22 119.36 109.65 1st7 n ILE 46 Ca 0.01 -0.16 0.13 0.00 -0.27 0.00 0.00 62.75 62.46 1st7 n ILE 46 Cb 0.02 -1.98 0.46 0.00 -1.74 0.00 0.00 39.64 36.40 1st7 n ILE 46 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 1st7 n PHE 47 N -4.25 0.06 -1.69 4.28 1.16 -1.26 -4.77 117.46 111.00 1st7 n PHE 47 Ca -0.34 -0.03 -0.40 0.00 -1.87 0.00 0.00 57.45 54.81 1st7 n PHE 47 Cb 0.76 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.62 1st7 n PHE 47 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 1st7 n ASN 48 N 0.30 7.70 0.06 5.98 2.85 -1.20 -4.68 115.26 126.27 1st7 n ASN 48 Ca 0.18 -2.85 0.05 0.00 -0.11 0.00 0.00 54.58 51.85 1st7 n ASN 48 Cb 0.37 -1.49 0.46 0.00 1.24 0.00 0.00 39.78 40.36 1st7 n ASN 48 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1st7 h MET 49 N 5.02 0.40 0.44 1.20 -0.00 -1.86 0.30 114.93 120.44 1st7 h MET 49 Ca 0.74 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 60.39 1st7 h MET 49 Cb 0.35 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 31.87 1st7 h MET 49 CO 1.67 0.29 -0.21 1.57 -0.00 0.00 0.00 176.91 180.23 1st7 h LYS 50 N 0.41 -0.57 -0.50 -0.10 2.10 -1.98 -2.45 116.57 113.48 1st7 h LYS 50 Ca 0.11 0.04 -0.11 0.00 -2.00 0.00 0.00 60.65 58.69 1st7 h LYS 50 Cb -0.00 0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 31.44 1st7 h LYS 50 CO -0.02 -0.33 -0.11 -0.44 -2.00 0.00 0.00 179.45 176.55 1st7 h ASP 51 N -0.69 0.92 -0.74 7.07 5.19 -1.81 -2.04 116.42 124.31 1st7 h ASP 51 Ca -0.06 -0.30 0.06 0.00 -0.62 0.00 0.00 57.03 56.12 1st7 h ASP 51 Cb 0.50 -0.25 -0.05 0.00 0.18 0.00 0.00 39.33 39.72 1st7 h ASP 51 CO 0.10 1.04 0.49 0.03 -3.12 0.00 0.00 179.24 177.78 1st7 h ARG 52 N 0.83 0.76 -0.10 3.56 3.08 -0.98 0.33 114.38 121.86 1st7 h ARG 52 Ca 0.13 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 1st7 h ARG 52 Cb 0.65 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1st7 h ARG 52 CO 0.04 0.51 -0.20 1.88 -1.07 0.00 0.00 179.97 181.14 1st7 h TYR 53 N 0.79 0.39 -0.54 3.04 0.05 -0.94 -2.44 116.97 117.32 1st7 h TYR 53 Ca 0.32 -0.14 0.02 0.00 0.05 0.00 0.00 58.73 58.98 1st7 h TYR 53 Cb 0.25 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 1st7 h TYR 53 CO -0.00 0.80 0.32 0.87 -1.05 0.00 0.00 178.16 179.11 1st7 h LYS 54 N -0.13 0.63 -0.07 4.88 6.56 -1.13 -1.77 116.57 125.53 1st7 h LYS 54 Ca 0.00 -0.04 -0.07 0.00 -1.06 0.00 0.00 60.65 59.48 1st7 h LYS 54 Cb 0.78 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.29 1st7 h LYS 54 CO 0.04 0.41 -0.29 2.35 -2.06 0.00 0.00 179.45 179.91 1st7 h TRP 55 N 0.64 0.15 -0.31 -1.35 7.01 -0.43 -1.98 115.95 119.69 1st7 h TRP 55 Ca 0.21 -0.03 -0.14 0.00 2.11 0.00 0.00 58.89 61.05 1st7 h TRP 55 Cb 0.01 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.03 1st7 h TRP 55 CO -0.06 0.42 -0.36 1.49 -2.79 0.00 0.00 178.44 177.13 1st7 h GLU 56 N 0.12 0.79 0.00 2.65 4.81 -1.09 0.16 114.58 122.02 1st7 h GLU 56 Ca 0.02 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1st7 h GLU 56 Cb 0.58 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1st7 h GLU 56 CO 0.04 1.07 0.00 0.00 -0.73 0.00 0.00 179.01 179.39 1st7 h ALA 57 N 0.71 1.00 0.00 2.92 0.00 -1.03 -2.29 119.26 120.57 1st7 h ALA 57 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1st7 h ALA 57 Cb 0.95 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1st7 h ALA 57 CO 0.09 0.00 -0.64 2.35 0.00 0.00 0.00 179.25 181.05 1st7 h TRP 58 N 0.00 0.00 -0.06 0.00 7.01 -1.07 -3.36 115.95 118.48 1st7 h TRP 58 Ca 0.00 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.02 1st7 h TRP 58 Cb 0.36 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.42 1st7 h TRP 58 CO 0.00 1.18 0.13 1.49 -2.79 0.00 0.00 178.44 178.45 1st7 h GLU 59 N -1.00 0.00 -1.00 2.65 4.22 -0.78 0.35 114.58 119.03 1st7 h GLU 59 Ca -0.17 0.00 0.27 0.00 0.08 0.00 0.00 59.36 59.54 1st7 h GLU 59 Cb 1.11 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 1st7 h GLU 59 CO -0.10 0.00 0.69 -0.97 -2.18 0.00 0.00 179.01 176.44 1st7 h ASN 60 N 0.00 0.18 -0.13 1.04 -1.24 -1.56 -2.42 115.58 111.45 1st7 h ASN 60 Ca 0.03 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.07 1st7 h ASN 60 Cb 0.28 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.33 1st7 h ASN 60 CO -0.00 0.05 0.00 0.18 -1.29 0.00 0.00 177.43 176.37 1st7 n LEU 61 N -4.38 2.93 -0.26 0.34 4.32 0.11 -4.93 117.00 115.13 1st7 n LEU 61 Ca 0.22 -2.84 0.22 0.00 -0.02 0.00 0.00 56.01 53.59 1st7 n LEU 61 Cb 0.96 -0.41 0.38 0.00 -1.62 0.00 0.00 43.42 42.73 1st7 n LEU 61 CO 0.34 0.67 0.68 2.29 -1.22 0.00 0.00 177.39 180.16 1st7 n LYS 62 N -0.81 -0.02 -0.09 3.23 2.85 -0.91 -1.35 118.16 121.06 1st7 n LYS 62 Ca 0.16 0.70 -0.12 0.00 -1.05 0.00 0.00 58.31 58.00 1st7 n LYS 62 Cb 0.67 -1.38 -0.08 0.00 -0.65 0.00 0.00 35.03 33.59 1st7 n LYS 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1st7 n GLY 63 N -1.29 -0.24 0.50 2.58 0.00 -1.26 -1.63 105.19 103.86 1st7 n GLY 63 Ca 0.23 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1st7 n GLY 63 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1st7 n LYS 64 N -3.02 1.36 -0.14 1.61 2.85 -1.02 -4.72 118.16 115.07 1st7 n LYS 64 Ca -0.30 -1.01 -0.04 0.00 -1.05 0.00 0.00 58.31 55.91 1st7 n LYS 64 Cb 0.82 -1.48 -0.03 0.00 -0.65 0.00 0.00 35.03 33.69 1st7 n LYS 64 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1st7 n SER 65 N 0.06 -0.35 -0.32 -5.58 7.64 -0.46 -1.58 113.62 113.03 1st7 n SER 65 Ca 0.12 0.60 0.04 0.00 1.01 0.00 0.00 58.87 60.65 1st7 n SER 65 Cb 0.44 -0.08 0.23 0.00 -1.01 0.00 0.00 64.21 63.79 1st7 n SER 65 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1st7 h GLN 66 N 0.00 1.02 0.10 1.43 4.15 -1.70 0.65 115.11 120.75 1st7 h GLN 66 Ca 0.06 -0.06 -0.27 0.00 0.77 0.00 0.00 58.65 59.14 1st7 h GLN 66 Cb 0.14 -0.23 0.01 0.00 0.21 0.00 0.00 27.48 27.62 1st7 h GLN 66 CO -0.32 0.67 -1.17 0.93 -1.93 0.00 0.00 178.83 177.01 1st7 h GLU 67 N 1.05 0.44 0.15 1.69 4.39 -1.66 -2.82 114.58 117.81 1st7 h GLU 67 Ca 0.41 -0.60 -0.33 0.00 0.34 0.00 0.00 59.36 59.18 1st7 h GLU 67 Cb 0.24 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1st7 h GLU 67 CO -0.17 1.25 -1.66 -0.44 -1.16 0.00 0.00 179.01 176.83 1st7 h ASP 68 N 0.19 0.50 0.33 1.42 5.19 -1.41 -3.36 116.42 119.28 1st7 h ASP 68 Ca -0.14 -0.74 -0.01 0.00 -0.62 0.00 0.00 57.03 55.52 1st7 h ASP 68 Cb 1.85 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 41.18 1st7 h ASP 68 CO 0.21 1.62 -0.40 0.00 -3.12 0.00 0.00 179.24 177.56 1st7 h ALA 69 N 0.30 -1.03 -1.45 3.45 0.00 -0.95 -2.13 119.26 117.44 1st7 h ALA 69 Ca -0.30 -0.13 0.43 0.00 0.00 0.00 0.00 54.91 54.91 1st7 h ALA 69 Cb 2.06 0.67 -0.09 0.00 0.00 0.00 0.00 17.79 20.43 1st7 h ALA 69 CO 0.17 -1.07 1.00 1.05 0.00 0.00 0.00 179.25 180.40 1st7 h GLU 70 N -0.74 0.07 0.12 0.00 4.11 -1.68 0.16 114.58 116.62 1st7 h GLU 70 Ca -0.04 -0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.05 1st7 h GLU 70 Cb 0.66 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1st7 h GLU 70 CO -0.09 0.05 -1.83 0.87 0.07 0.00 0.00 179.01 178.08 1st7 h LYS 71 N 0.07 0.24 0.00 1.06 1.57 -1.66 -3.34 116.57 114.51 1st7 h LYS 71 Ca 0.76 -0.42 -0.09 0.00 -1.87 0.00 0.00 60.65 59.04 1st7 h LYS 71 Cb 2.74 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 35.19 1st7 h LYS 71 CO -0.17 1.10 -0.41 0.93 -0.57 0.00 0.00 179.45 180.33 1st7 h GLU 72 N 0.07 0.00 -0.02 3.15 4.39 -0.70 -3.39 114.58 118.08 1st7 h GLU 72 Ca -0.36 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.31 1st7 h GLU 72 Cb 2.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.69 1st7 h GLU 72 CO 0.12 0.41 -0.10 -0.92 -1.16 0.00 0.00 179.01 177.35 1st7 h TYR 73 N 0.00 0.15 -0.80 4.33 3.20 -0.82 -2.60 116.97 120.43 1st7 h TYR 73 Ca -0.00 -0.06 0.18 0.00 3.14 0.00 0.00 58.73 61.98 1st7 h TYR 73 Cb 0.90 -0.02 -0.14 0.00 1.54 0.00 0.00 36.73 39.01 1st7 h TYR 73 CO 0.00 0.75 -0.05 0.97 -1.64 0.00 0.00 178.16 178.20 1st7 h ILE 74 N -0.50 0.26 0.00 1.81 2.10 -1.75 -0.20 117.51 119.22 1st7 h ILE 74 Ca -0.01 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.91 1st7 h ILE 74 Cb 0.77 0.19 0.00 0.00 -1.09 0.00 0.00 36.82 36.68 1st7 h ILE 74 CO 0.02 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.10 1st7 h ALA 75 N 1.77 1.00 0.18 0.18 0.00 -1.71 -1.19 119.26 119.49 1st7 h ALA 75 Ca 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1st7 h ALA 75 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1st7 h ALA 75 CO -0.75 0.00 -0.09 -0.07 0.00 0.00 0.00 179.25 178.35 1st7 h LEU 76 N 0.00 -0.21 -1.00 0.00 3.38 -0.90 -3.37 115.31 113.21 1st7 h LEU 76 Ca 0.00 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1st7 h LEU 76 Cb 0.62 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1st7 h LEU 76 CO 0.00 0.29 -0.40 0.58 0.09 0.00 0.00 178.44 179.00 1st7 h VAL 77 N -1.05 1.01 -0.42 1.22 2.07 -0.96 -2.16 116.25 115.96 1st7 h VAL 77 Ca -0.02 -1.55 -0.10 0.00 0.82 0.00 0.00 66.70 65.85 1st7 h VAL 77 Cb 0.26 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1st7 h VAL 77 CO 0.04 0.40 -0.14 0.44 0.02 0.00 0.00 177.57 178.33 1st7 h ASP 78 N 0.00 0.76 1.45 0.57 3.32 -1.42 0.30 116.42 121.40 1st7 h ASP 78 Ca -0.00 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1st7 h ASP 78 Cb 0.88 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1st7 h ASP 78 CO 0.05 0.92 0.00 0.00 -1.72 0.00 0.00 179.24 178.49 1st7 n GLN 79 N -4.15 0.26 -0.06 3.56 10.64 -0.98 -2.23 117.38 124.43 1st7 n GLN 79 Ca 0.01 0.23 -0.16 0.00 -1.83 0.00 0.00 57.00 55.25 1st7 n GLN 79 Cb 0.38 -1.81 -0.13 0.00 -0.86 0.00 0.00 30.24 27.82 1st7 n GLN 79 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1st7 h LEU 80 N 0.00 0.07 -1.90 2.61 3.38 -0.91 -3.31 115.31 115.25 1st7 h LEU 80 Ca 0.00 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.03 1st7 h LEU 80 Cb 0.73 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1st7 h LEU 80 CO 0.00 1.12 0.07 0.40 0.09 0.00 0.00 178.44 180.12 1st7 h ILE 81 N -0.90 1.02 -0.58 1.22 2.04 -0.44 0.16 117.51 120.01 1st7 h ILE 81 Ca -0.06 -0.05 0.14 0.00 1.00 0.00 0.00 64.86 65.89 1st7 h ILE 81 Cb 1.13 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 1st7 h ILE 81 CO -0.00 0.02 0.40 0.00 0.00 0.00 0.00 178.15 178.58 1st7 h ALA 82 N 1.93 2.28 0.09 1.87 0.00 -1.55 0.19 119.26 124.07 1st7 h ALA 82 Ca 0.04 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 1st7 h ALA 82 Cb -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1st7 h ALA 82 CO -0.01 -0.44 -1.67 0.87 0.00 0.00 0.00 179.25 178.01 1st7 h LYS 83 N 0.19 0.19 0.00 0.00 1.57 -0.89 -3.43 116.57 114.21 1st7 h LYS 83 Ca 0.28 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1st7 h LYS 83 Cb 0.84 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1st7 h LYS 83 CO -0.05 1.00 -1.48 0.66 -0.57 0.00 0.00 179.45 179.01 1st7 n TYR 84 N -3.37 0.00 -0.17 -1.35 4.01 0.13 -4.57 117.16 111.84 1st7 n TYR 84 Ca -0.20 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.45 1st7 n TYR 84 Cb 1.04 -0.27 -0.04 0.00 -0.31 0.00 0.00 39.34 39.76 1st7 n TYR 84 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1st7 h SER 85 N 0.00 -1.43 0.00 7.72 4.64 -0.91 -3.31 113.55 120.26 1st7 h SER 85 Ca 0.00 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1st7 h SER 85 Cb 0.67 0.64 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1st7 h SER 85 CO 0.00 -0.35 0.00 -0.24 -0.87 0.00 0.00 176.83 175.37