#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1st7 h SER 2 N 0.00 0.00 -0.05 6.55 0.87 -1.96 -1.93 113.55 117.03 1st7 h SER 2 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1st7 h SER 2 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1st7 h SER 2 CO 0.00 0.49 -0.00 -0.61 -0.53 0.00 0.00 176.83 176.18 1st7 h GLN 3 N 0.00 0.09 -0.63 2.24 4.15 -2.01 -3.24 115.11 115.71 1st7 h GLN 3 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1st7 h GLN 3 Cb 1.13 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.78 1st7 h GLN 3 CO 0.06 0.39 0.41 1.25 -1.93 0.00 0.00 178.83 179.01 1st7 h LEU 4 N -0.22 0.73 -0.75 -2.39 5.85 -1.95 -2.65 115.31 113.93 1st7 h LEU 4 Ca 0.01 -0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.84 1st7 h LEU 4 Cb 0.35 -0.18 -0.14 0.00 0.37 0.00 0.00 40.66 41.06 1st7 h LEU 4 CO 0.00 0.54 -0.28 0.15 -0.34 0.00 0.00 178.44 178.51 1st7 h PHE 5 N 0.85 -0.71 0.00 1.25 3.57 -1.37 0.15 116.94 120.67 1st7 h PHE 5 Ca 0.23 0.08 -0.24 0.00 3.53 0.00 0.00 57.97 61.57 1st7 h PHE 5 Cb -0.09 0.43 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 1st7 h PHE 5 CO -0.03 -0.37 -1.46 1.05 -2.23 0.00 0.00 178.31 175.28 1st7 h GLU 6 N -0.06 0.00 -0.53 1.11 4.11 -1.63 0.50 114.58 118.08 1st7 h GLU 6 Ca 0.32 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.83 1st7 h GLU 6 Cb 0.57 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 1st7 h GLU 6 CO -0.79 0.52 0.18 1.49 0.07 0.00 0.00 179.01 180.48 1st7 h GLU 7 N 0.00 0.34 0.00 1.06 4.81 -0.93 -1.33 114.58 118.53 1st7 h GLU 7 Ca -0.20 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1st7 h GLU 7 Cb 1.84 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.14 1st7 h GLU 7 CO 0.08 0.23 -0.93 0.87 -0.73 0.00 0.00 179.01 178.53 1st7 h LYS 8 N 0.35 0.00 -0.30 1.92 1.79 -0.83 -3.26 116.57 116.25 1st7 h LYS 8 Ca 0.26 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.70 1st7 h LYS 8 Cb 0.31 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1st7 h LYS 8 CO -0.28 0.02 0.07 0.00 -1.08 0.00 0.00 179.45 178.18 1st7 h ALA 9 N 1.96 0.39 0.00 3.86 0.00 -0.58 0.43 119.26 125.32 1st7 h ALA 9 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1st7 h ALA 9 Cb 1.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1st7 h ALA 9 CO 0.00 0.06 0.00 0.87 0.00 0.00 0.00 179.25 180.18 1st7 h LYS 10 N 0.31 0.00 0.15 0.00 1.57 -1.41 -1.62 116.57 115.57 1st7 h LYS 10 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1st7 h LYS 10 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1st7 h LYS 10 CO 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 179.45 178.81 1st7 h ALA 11 N 2.07 -0.20 0.00 3.86 0.00 -1.39 -3.35 119.26 120.25 1st7 h ALA 11 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1st7 h ALA 11 Cb 0.21 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1st7 h ALA 11 CO 0.00 -0.19 -0.12 -0.39 0.00 0.00 0.00 179.25 178.55 1st7 h VAL 12 N -1.05 1.04 -0.00 0.00 -1.51 -0.59 0.19 116.25 114.33 1st7 h VAL 12 Ca -0.02 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1st7 h VAL 12 Cb 0.15 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1st7 h VAL 12 CO 0.03 0.12 -0.02 0.59 -1.23 0.00 0.00 177.57 177.07 1st7 n ASN 13 N -4.33 0.30 0.00 4.19 3.02 -0.64 -3.48 115.26 114.31 1st7 n ASN 13 Ca -0.03 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 1st7 n ASN 13 Cb 0.20 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1st7 n ASN 13 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1st7 n GLU 14 N -0.85 0.73 -1.28 3.52 2.13 0.48 -5.05 120.64 120.32 1st7 n GLU 14 Ca 0.21 -0.72 -0.31 0.00 0.66 0.00 0.00 57.16 57.00 1st7 n GLU 14 Cb 0.19 -0.76 0.09 0.00 0.27 0.00 0.00 31.44 31.22 1st7 n GLU 14 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1st7 s LEU 15 N -0.31 3.05 0.39 4.31 1.43 -0.17 -4.94 118.68 122.43 1st7 s LEU 15 Ca 0.00 1.84 0.21 0.00 -1.03 0.00 0.00 54.13 55.15 1st7 s LEU 15 Cb 0.00 -4.52 0.36 0.00 0.03 0.00 0.00 46.19 42.06 1st7 s LEU 15 CO 0.00 -2.04 1.60 1.55 0.23 0.00 0.00 176.35 177.69 1st7 h PRO 16 N -1.08 0.00 -3.57 1.29 0.13 -1.86 -3.34 132.00 123.57 1st7 h PRO 16 Ca -0.44 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.91 1st7 h PRO 16 Cb 1.23 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.07 1st7 h PRO 16 CO 0.51 0.19 0.31 0.99 -0.23 0.00 0.00 178.00 179.77 1st7 s THR 17 N -3.19 5.69 0.74 1.56 2.01 -1.25 -5.04 115.64 116.15 1st7 s THR 17 Ca 0.05 -3.33 -0.14 0.00 0.31 0.00 0.00 61.69 58.58 1st7 s THR 17 Cb 0.07 -4.44 0.05 0.00 0.01 0.00 0.00 72.50 68.18 1st7 s THR 17 CO 0.68 -1.14 1.16 -0.54 -0.69 0.00 0.00 174.62 174.09 1st7 s LYS 18 N -1.04 2.16 0.64 4.92 1.02 -1.25 -4.82 119.74 121.36 1st7 s LYS 18 Ca 0.28 1.56 -0.17 0.00 0.02 0.00 0.00 55.97 57.67 1st7 s LYS 18 Cb -0.10 -1.86 -0.01 0.00 -0.52 0.00 0.00 37.83 35.34 1st7 s LYS 18 CO -0.09 -1.78 1.14 -2.14 -0.92 0.00 0.00 175.35 171.57 1st7 s PRO 19 N -4.18 2.84 0.30 -1.68 0.02 -1.26 -4.99 135.00 126.05 1st7 s PRO 19 Ca 0.70 1.56 -0.23 0.00 0.02 0.00 0.00 61.00 63.05 1st7 s PRO 19 Cb -0.25 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.24 1st7 s PRO 19 CO 0.47 -1.25 0.86 -1.12 -0.33 0.00 0.00 177.00 175.64 1st7 s SER 20 N -2.17 7.19 0.14 2.53 0.01 -1.26 -4.87 113.70 115.27 1st7 s SER 20 Ca 0.71 1.66 -0.21 0.00 1.31 0.00 0.00 55.95 59.42 1st7 s SER 20 Cb -0.24 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.50 1st7 s SER 20 CO 0.38 -0.07 1.66 0.74 0.41 0.00 0.00 173.24 176.36 1st7 h THR 21 N 2.56 0.57 0.00 1.44 2.02 -1.98 0.28 112.91 117.81 1st7 h THR 21 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1st7 h THR 21 Cb 1.19 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1st7 h THR 21 CO 0.65 0.00 -0.02 -0.90 0.37 0.00 0.00 175.52 175.62 1st7 n ASP 22 N -5.31 0.49 -0.02 4.18 5.75 -1.26 -3.16 116.55 117.22 1st7 n ASP 22 Ca -0.01 0.53 -0.20 0.00 -0.01 0.00 0.00 54.79 55.09 1st7 n ASP 22 Cb 0.22 -0.65 -0.13 0.00 -1.03 0.00 0.00 41.12 39.53 1st7 n ASP 22 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1st7 h GLU 23 N 0.00 0.16 -1.09 0.11 5.08 -1.78 -3.39 114.58 113.67 1st7 h GLU 23 Ca 0.00 -0.28 0.35 0.00 -1.00 0.00 0.00 59.36 58.43 1st7 h GLU 23 Cb 0.64 0.10 -0.14 0.00 0.50 0.00 0.00 28.75 29.86 1st7 h GLU 23 CO 0.00 1.13 0.66 1.25 -1.00 0.00 0.00 179.01 181.05 1st7 h LEU 24 N -0.55 0.42 -0.21 1.33 5.85 -0.42 0.21 115.31 121.94 1st7 h LEU 24 Ca -0.25 0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.69 1st7 h LEU 24 Cb 1.55 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.63 1st7 h LEU 24 CO 0.00 -0.14 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.53 1st7 h LEU 25 N 0.25 -1.15 0.03 2.25 3.38 -1.75 0.14 115.31 118.45 1st7 h LEU 25 Ca 0.75 0.17 -0.23 0.00 0.09 0.00 0.00 57.88 58.66 1st7 h LEU 25 Cb 1.94 0.49 -0.02 0.00 0.09 0.00 0.00 40.66 43.16 1st7 h LEU 25 CO -0.52 -0.37 -1.09 -0.33 0.09 0.00 0.00 178.44 176.21 1st7 h GLU 26 N -0.39 0.06 -0.07 1.13 5.08 -1.25 -2.34 114.58 116.80 1st7 h GLU 26 Ca 0.11 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1st7 h GLU 26 Cb 0.57 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1st7 h GLU 26 CO -0.43 1.02 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.08 1st7 h LEU 27 N 0.02 0.18 0.58 1.33 -0.00 -0.64 -0.90 115.31 115.87 1st7 h LEU 27 Ca -0.05 -0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 57.73 1st7 h LEU 27 Cb 1.83 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 42.43 1st7 h LEU 27 CO 0.14 0.61 -0.35 0.22 -0.00 0.00 0.00 178.44 179.06 1st7 h TYR 28 N 0.14 -0.93 -0.33 1.13 5.03 -0.74 -2.76 116.97 118.51 1st7 h TYR 28 Ca 0.01 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.38 1st7 h TYR 28 Cb 0.86 0.33 -0.08 0.00 1.55 0.00 0.00 36.73 39.39 1st7 h TYR 28 CO 0.01 -0.54 -0.34 0.00 -1.32 0.00 0.00 178.16 175.98 1st7 h ALA 29 N -0.52 -0.26 -0.49 1.82 0.00 -0.82 0.12 119.26 119.10 1st7 h ALA 29 Ca -0.07 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1st7 h ALA 29 Cb 0.71 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1st7 h ALA 29 CO 0.08 -0.76 0.01 -0.07 0.00 0.00 0.00 179.25 178.51 1st7 h LEU 30 N -0.30 0.77 0.33 0.00 4.07 -1.31 0.18 115.31 119.05 1st7 h LEU 30 Ca 0.15 -0.18 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 1st7 h LEU 30 Cb 0.55 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.09 1st7 h LEU 30 CO -0.50 0.83 -0.16 0.22 -1.08 0.00 0.00 178.44 177.75 1st7 h TYR 31 N 0.75 -0.41 -0.95 1.13 3.20 -1.00 -2.06 116.97 117.63 1st7 h TYR 31 Ca 0.15 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.12 1st7 h TYR 31 Cb 0.44 0.14 -0.08 0.00 1.54 0.00 0.00 36.73 38.76 1st7 h TYR 31 CO 0.02 -0.22 0.58 0.87 -1.64 0.00 0.00 178.16 177.78 1st7 h LYS 32 N -0.49 0.92 0.72 1.82 1.79 -0.75 0.13 116.57 120.72 1st7 h LYS 32 Ca -0.05 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.34 1st7 h LYS 32 Cb 0.37 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1st7 h LYS 32 CO 0.07 0.61 -0.45 1.96 -1.08 0.00 0.00 179.45 180.57 1st7 h GLN 33 N 0.95 -1.05 -0.00 3.15 4.20 -0.31 -2.59 115.11 119.45 1st7 h GLN 33 Ca 0.46 0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.25 1st7 h GLN 33 Cb 0.43 0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1st7 h GLN 33 CO -0.25 -0.70 -0.10 0.00 -0.67 0.00 0.00 178.83 177.10 1st7 n ALA 34 N -2.67 2.63 0.17 3.87 0.00 -0.80 0.07 120.51 123.78 1st7 n ALA 34 Ca -0.13 -0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.00 1st7 n ALA 34 Cb 0.46 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 1st7 n ALA 34 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1st7 h THR 35 N 0.10 0.56 0.00 0.00 1.35 -0.89 -3.42 112.91 110.60 1st7 h THR 35 Ca 0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1st7 h THR 35 Cb 0.44 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1st7 h THR 35 CO 0.00 0.11 -0.02 1.62 -0.25 0.00 0.00 175.52 176.97 1st7 h VAL 36 N -0.88 0.00 0.00 6.82 3.04 -1.51 -3.50 116.25 120.22 1st7 h VAL 36 Ca -0.05 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1st7 h VAL 36 Cb 0.53 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.81 1st7 h VAL 36 CO 0.08 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.25 1st7 n GLY 37 N 1.81 1.46 3.15 3.17 0.00 0.11 -5.01 105.19 109.88 1st7 n GLY 37 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.96 0.31 -1.11 1.61 1.01 -1.26 -4.53 116.67 110.74 1st7 s ASP 38 Ca 0.00 -1.18 -0.23 0.00 0.71 0.00 0.00 52.55 51.85 1st7 s ASP 38 Cb 0.00 0.29 -0.06 0.00 1.01 0.00 0.00 42.92 44.16 1st7 s ASP 38 CO 0.00 -0.72 1.91 0.54 0.21 0.00 0.00 175.17 177.10 1st7 s ASN 39 N -3.03 5.24 -0.13 0.27 4.22 -0.58 -4.74 114.94 116.18 1st7 s ASN 39 Ca 0.22 -1.44 -0.16 0.00 -2.14 0.00 0.00 52.86 49.35 1st7 s ASN 39 Cb 0.07 -2.58 -0.14 0.00 1.28 0.00 0.00 41.25 39.89 1st7 s ASN 39 CO 0.01 -2.80 0.34 -0.78 -2.04 0.00 0.00 177.10 171.83 1st7 h ASP 40 N 10.01 0.00 -1.57 3.54 3.58 -1.93 -3.41 116.42 126.64 1st7 h ASP 40 Ca 0.20 -0.49 -0.69 0.00 0.42 0.00 0.00 57.03 56.47 1st7 h ASP 40 Cb 0.95 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 41.87 1st7 h ASP 40 CO 1.24 0.85 1.65 -0.54 -2.88 0.00 0.00 179.24 179.56 1st7 s LYS 41 N -2.00 3.94 -0.05 0.28 -0.14 -1.26 -4.88 119.74 115.63 1st7 s LYS 41 Ca -0.13 -2.10 -0.04 0.00 -1.36 0.00 0.00 55.97 52.34 1st7 s LYS 41 Cb -0.00 -5.27 -0.14 0.00 -1.68 0.00 0.00 37.83 30.74 1st7 s LYS 41 CO 0.39 -2.01 2.99 -1.91 -0.76 0.00 0.00 175.35 174.05 1st7 n GLU 42 N 7.19 1.72 -3.20 1.68 2.13 -1.26 -4.14 120.64 124.75 1st7 n GLU 42 Ca 0.40 -0.83 0.01 0.00 0.66 0.00 0.00 57.16 57.40 1st7 n GLU 42 Cb 0.46 -1.69 -0.01 0.00 0.27 0.00 0.00 31.44 30.47 1st7 n GLU 42 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1st7 s LYS 43 N 0.35 0.79 0.90 5.31 -2.85 -1.26 -5.17 119.74 117.81 1st7 s LYS 43 Ca 0.44 -0.18 -0.12 0.00 -1.00 0.00 0.00 55.97 55.12 1st7 s LYS 43 Cb 0.22 0.11 0.13 0.00 -2.06 0.00 0.00 37.83 36.24 1st7 s LYS 43 CO -0.02 -1.18 1.10 -1.25 0.10 0.00 0.00 175.35 174.11 1st7 s PRO 44 N 1.95 1.23 0.00 1.78 0.04 -1.26 -5.01 135.00 133.72 1st7 s PRO 44 Ca 0.15 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1st7 s PRO 44 Cb -0.05 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1st7 s PRO 44 CO -0.09 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.15 1st7 n GLY 45 N -1.54 -3.45 0.13 0.56 0.00 -1.26 -4.93 105.19 94.70 1st7 n GLY 45 Ca 0.06 -1.17 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.99 1.68 0.06 -0.61 -5.35 -1.26 -3.93 119.36 108.97 1st7 n ILE 46 Ca 0.00 -0.42 0.03 0.00 -0.27 0.00 0.00 62.75 62.09 1st7 n ILE 46 Cb 0.00 -1.84 -0.05 0.00 -1.74 0.00 0.00 39.64 36.01 1st7 n ILE 46 CO 0.00 0.00 0.00 2.19 -1.76 0.00 0.00 176.55 176.98 1st7 h PHE 47 N -0.34 0.00 -0.37 4.28 -5.15 -2.05 -3.49 116.94 109.81 1st7 h PHE 47 Ca -0.41 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.36 1st7 h PHE 47 Cb 1.76 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.93 1st7 h PHE 47 CO 0.08 0.45 0.00 0.27 -2.00 0.00 0.00 178.31 177.11 1st7 n ASN 48 N -2.90 0.00 -0.09 -0.68 2.04 -1.25 -4.93 115.26 107.44 1st7 n ASN 48 Ca -0.06 0.00 -0.09 0.00 -0.44 0.00 0.00 54.58 53.99 1st7 n ASN 48 Cb 0.76 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.98 1st7 n ASN 48 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 1st7 n MET 49 N 0.10 0.52 0.04 -3.83 2.81 -1.26 -4.75 117.12 110.75 1st7 n MET 49 Ca 0.00 0.24 -0.06 0.00 -1.81 0.00 0.00 57.70 56.07 1st7 n MET 49 Cb 0.00 -1.46 -0.11 0.00 -0.71 0.00 0.00 33.22 30.94 1st7 n MET 49 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1st7 h LYS 50 N -1.00 0.00 0.00 0.03 1.79 -2.03 -3.35 116.57 112.01 1st7 h LYS 50 Ca -0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1st7 h LYS 50 Cb 0.97 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1st7 h LYS 50 CO -0.01 0.74 -0.03 -0.44 -1.08 0.00 0.00 179.45 178.62 1st7 h ASP 51 N 0.00 0.00 -1.00 0.86 5.19 -1.98 -0.40 116.42 119.09 1st7 h ASP 51 Ca -0.12 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.39 1st7 h ASP 51 Cb 1.82 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 41.25 1st7 h ASP 51 CO 0.10 0.03 0.63 0.03 -3.12 0.00 0.00 179.24 176.92 1st7 h ARG 52 N 0.00 1.03 0.05 3.56 3.08 -1.86 -0.58 114.38 119.66 1st7 h ARG 52 Ca -0.00 -0.06 -0.32 0.00 0.07 0.00 0.00 59.98 59.67 1st7 h ARG 52 Cb 0.14 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1st7 h ARG 52 CO 0.00 0.68 -1.84 0.66 -1.07 0.00 0.00 179.97 178.41 1st7 n TYR 53 N -4.57 1.07 -0.08 3.04 4.01 -0.20 -2.40 117.16 118.03 1st7 n TYR 53 Ca 0.17 0.32 -0.07 0.00 -0.16 0.00 0.00 57.90 58.16 1st7 n TYR 53 Cb 0.28 -1.17 -0.00 0.00 -0.31 0.00 0.00 39.34 38.13 1st7 n TYR 53 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1st7 h LYS 54 N 0.03 -0.15 -0.08 -0.72 1.79 -1.39 -0.72 116.57 115.34 1st7 h LYS 54 Ca -0.34 0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.03 1st7 h LYS 54 Cb 2.03 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.70 1st7 h LYS 54 CO 0.08 -0.10 -0.44 2.35 -1.08 0.00 0.00 179.45 180.26 1st7 h TRP 55 N -0.15 0.21 -0.33 -1.35 7.01 -1.18 -2.29 115.95 117.88 1st7 h TRP 55 Ca 0.16 -0.06 -0.10 0.00 2.11 0.00 0.00 58.89 61.00 1st7 h TRP 55 Cb 0.40 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 1st7 h TRP 55 CO -0.38 0.59 -0.23 1.49 -2.79 0.00 0.00 178.44 177.13 1st7 h GLU 56 N 0.15 0.64 0.00 2.65 4.81 -1.26 0.28 114.58 121.85 1st7 h GLU 56 Ca 0.01 -0.25 -0.07 0.00 -0.13 0.00 0.00 59.36 58.92 1st7 h GLU 56 Cb 0.84 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1st7 h GLU 56 CO 0.07 0.81 -0.35 0.00 -0.73 0.00 0.00 179.01 178.80 1st7 h ALA 57 N 1.19 1.23 0.15 2.92 0.00 -0.78 -2.73 119.26 121.25 1st7 h ALA 57 Ca 0.08 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.46 1st7 h ALA 57 Cb 0.69 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.45 1st7 h ALA 57 CO 0.05 0.44 -0.92 2.35 0.00 0.00 0.00 179.25 181.18 1st7 h TRP 58 N 0.00 0.64 -0.46 0.00 7.01 -1.02 -3.30 115.95 118.82 1st7 h TRP 58 Ca -0.00 -0.45 0.10 0.00 2.11 0.00 0.00 58.89 60.64 1st7 h TRP 58 Cb 0.71 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.71 1st7 h TRP 58 CO 0.00 1.35 0.32 1.49 -2.79 0.00 0.00 178.44 178.80 1st7 h GLU 59 N -0.25 0.16 -0.89 2.65 4.81 -0.84 -0.82 114.58 119.39 1st7 h GLU 59 Ca -0.16 -0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.26 1st7 h GLU 59 Cb 1.71 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.99 1st7 h GLU 59 CO 0.17 0.10 0.59 -0.91 -0.73 0.00 0.00 179.01 178.24 1st7 h ASN 60 N 0.16 0.45 -0.41 1.04 2.35 -1.56 -1.95 115.58 115.66 1st7 h ASN 60 Ca 0.21 0.04 -0.24 0.00 -0.55 0.00 0.00 56.30 55.76 1st7 h ASN 60 Cb 0.63 -0.04 -0.15 0.00 0.05 0.00 0.00 38.32 38.81 1st7 h ASN 60 CO -0.03 0.19 -0.16 0.18 -1.65 0.00 0.00 177.43 175.95 1st7 n LEU 61 N -4.52 4.32 -0.11 1.61 4.32 -0.33 -4.89 117.00 117.40 1st7 n LEU 61 Ca 0.19 -3.97 0.02 0.00 -0.02 0.00 0.00 56.01 52.23 1st7 n LEU 61 Cb 0.66 -0.61 0.04 0.00 -1.62 0.00 0.00 43.42 41.89 1st7 n LEU 61 CO 0.30 1.41 0.20 2.29 -1.22 0.00 0.00 177.39 180.38 1st7 n LYS 62 N -1.06 -0.03 0.00 3.23 2.85 -0.74 -2.33 118.16 120.07 1st7 n LYS 62 Ca 0.35 0.48 0.00 0.00 -1.05 0.00 0.00 58.31 58.09 1st7 n LYS 62 Cb 0.98 -0.71 0.00 0.00 -0.65 0.00 0.00 35.03 34.64 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 -1.19 0.25 0.39 2.58 0.00 -1.26 -1.53 105.19 104.44 1st7 n GLY 63 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.80 1.03 0.00 1.61 2.85 -1.23 -4.72 118.16 116.89 1st7 n LYS 64 Ca 0.00 -0.78 0.00 0.00 -1.05 0.00 0.00 58.31 56.48 1st7 n LYS 64 Cb 0.00 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.90 1st7 n LYS 64 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1st7 n SER 65 N -0.30 0.00 -0.31 -5.58 3.41 -0.99 -2.52 113.62 107.33 1st7 n SER 65 Ca 0.10 0.33 0.11 0.00 -0.26 0.00 0.00 58.87 59.15 1st7 n SER 65 Cb 0.42 -0.16 0.33 0.00 -0.26 0.00 0.00 64.21 64.54 1st7 n SER 65 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1st7 h GLN 66 N 0.00 0.76 0.00 4.33 4.15 -1.80 0.36 115.11 122.91 1st7 h GLN 66 Ca 0.00 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 1st7 h GLN 66 Cb 0.00 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 1st7 h GLN 66 CO 0.00 0.51 -1.30 0.39 -1.93 0.00 0.00 178.83 176.50 1st7 n GLU 67 N -4.60 0.62 -0.01 1.69 1.02 -1.16 -3.68 120.64 114.52 1st7 n GLU 67 Ca 0.19 0.07 -0.20 0.00 -0.02 0.00 0.00 57.16 57.19 1st7 n GLU 67 Cb 0.45 -1.75 -0.14 0.00 -0.02 0.00 0.00 31.44 29.98 1st7 n GLU 67 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1st7 n ASP 68 N -2.62 1.99 -0.07 1.62 9.92 -0.51 -4.20 116.55 122.67 1st7 n ASP 68 Ca -0.03 0.19 -0.11 0.00 -0.53 0.00 0.00 54.79 54.30 1st7 n ASP 68 Cb 0.61 -0.73 -0.08 0.00 -0.64 0.00 0.00 41.12 40.28 1st7 n ASP 68 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1st7 h ALA 69 N 0.15 -0.73 -0.99 2.24 0.00 -0.52 -1.03 119.26 118.38 1st7 h ALA 69 Ca -0.43 -0.02 0.26 0.00 0.00 0.00 0.00 54.91 54.71 1st7 h ALA 69 Cb 2.02 1.00 -0.07 0.00 0.00 0.00 0.00 17.79 20.74 1st7 h ALA 69 CO 0.07 -0.92 0.67 1.05 0.00 0.00 0.00 179.25 180.11 1st7 h GLU 70 N -0.38 0.27 0.00 0.00 4.11 -1.76 0.40 114.58 117.22 1st7 h GLU 70 Ca 0.05 -0.02 -0.24 0.00 0.07 0.00 0.00 59.36 59.22 1st7 h GLU 70 Cb 0.50 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1st7 h GLU 70 CO -0.43 0.18 -1.50 0.87 0.07 0.00 0.00 179.01 178.20 1st7 h LYS 71 N 0.28 0.00 0.00 1.06 1.57 -1.64 0.13 116.57 117.97 1st7 h LYS 71 Ca 0.52 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 59.11 1st7 h LYS 71 Cb 1.53 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.81 1st7 h LYS 71 CO -0.17 0.50 -1.35 0.93 -0.57 0.00 0.00 179.45 178.78 1st7 h GLU 72 N 0.00 0.00 -0.19 3.15 4.39 -0.76 -3.39 114.58 117.77 1st7 h GLU 72 Ca -0.21 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.46 1st7 h GLU 72 Cb 1.85 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.49 1st7 h GLU 72 CO 0.08 0.40 -0.02 -0.92 -1.16 0.00 0.00 179.01 177.38 1st7 h TYR 73 N 0.00 0.39 -0.96 4.33 3.20 -0.35 -2.27 116.97 121.31 1st7 h TYR 73 Ca -0.16 -0.07 0.18 0.00 3.14 0.00 0.00 58.73 61.81 1st7 h TYR 73 Cb 1.67 -0.10 -0.17 0.00 1.54 0.00 0.00 36.73 39.66 1st7 h TYR 73 CO 0.00 0.57 -0.27 1.51 -1.64 0.00 0.00 178.16 178.33 1st7 n ILE 74 N -4.68 -0.43 0.16 1.81 3.06 -1.25 -0.64 119.36 117.39 1st7 n ILE 74 Ca -0.05 2.20 0.03 0.00 -2.50 0.00 0.00 62.75 62.44 1st7 n ILE 74 Cb 0.25 -3.01 0.19 0.00 0.54 0.00 0.00 39.64 37.60 1st7 n ILE 74 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1st7 h ALA 75 N 1.75 0.83 0.06 1.51 0.00 -1.63 -0.26 119.26 121.54 1st7 h ALA 75 Ca 0.43 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1st7 h ALA 75 Cb 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1st7 h ALA 75 CO -0.98 0.62 -0.03 -0.07 0.00 0.00 0.00 179.25 178.79 1st7 h LEU 76 N 0.00 -0.07 -1.60 0.00 3.38 -0.94 -3.37 115.31 112.71 1st7 h LEU 76 Ca -0.00 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 1st7 h LEU 76 Cb 1.14 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1st7 h LEU 76 CO 0.06 0.62 -0.09 0.58 0.09 0.00 0.00 178.44 179.70 1st7 h VAL 77 N -0.88 0.29 -0.40 1.22 2.07 -0.82 -0.13 116.25 117.60 1st7 h VAL 77 Ca -0.01 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1st7 h VAL 77 Cb 0.62 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1st7 h VAL 77 CO 0.01 0.09 0.03 -0.78 0.02 0.00 0.00 177.57 176.95 1st7 h ASP 78 N 0.00 0.58 1.33 0.57 3.58 -1.19 0.25 116.42 121.54 1st7 h ASP 78 Ca -0.00 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1st7 h ASP 78 Cb 0.50 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.39 1st7 h ASP 78 CO 0.01 0.63 -0.30 1.56 -2.88 0.00 0.00 179.24 178.26 1st7 h GLN 79 N 0.59 0.00 0.17 0.28 4.20 -1.20 -1.76 115.11 117.40 1st7 h GLN 79 Ca 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1st7 h GLN 79 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1st7 h GLN 79 CO 0.01 0.00 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.02 1st7 h LEU 80 N 0.00 -0.20 -0.93 1.46 4.07 -1.01 -3.36 115.31 115.34 1st7 h LEU 80 Ca 0.00 0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.03 1st7 h LEU 80 Cb 0.81 0.05 -0.07 0.00 1.08 0.00 0.00 40.66 42.54 1st7 h LEU 80 CO 0.00 0.02 0.59 0.40 -1.08 0.00 0.00 178.44 178.38 1st7 h ILE 81 N -0.56 1.06 -0.21 1.22 1.08 -0.54 0.39 117.51 119.96 1st7 h ILE 81 Ca -0.02 -0.37 0.05 0.00 -0.39 0.00 0.00 64.86 64.13 1st7 h ILE 81 Cb 0.18 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 33.81 1st7 h ILE 81 CO 0.04 0.19 0.14 0.00 -0.69 0.00 0.00 178.15 177.84 1st7 h ALA 82 N 1.44 2.11 0.09 1.87 0.00 -1.53 0.86 119.26 124.11 1st7 h ALA 82 Ca 0.41 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 55.05 1st7 h ALA 82 Cb 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1st7 h ALA 82 CO -0.18 -0.16 -1.39 0.87 0.00 0.00 0.00 179.25 178.39 1st7 h LYS 83 N 0.06 0.19 0.00 0.00 1.57 -1.29 -3.44 116.57 113.66 1st7 h LYS 83 Ca 0.09 -0.33 -0.22 0.00 -1.87 0.00 0.00 60.65 58.33 1st7 h LYS 83 Cb 0.30 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 1st7 h LYS 83 CO -0.01 1.16 -1.85 0.66 -0.57 0.00 0.00 179.45 178.84 1st7 n TYR 84 N -4.00 0.52 -0.36 -1.35 4.01 0.12 -4.46 117.16 111.65 1st7 n TYR 84 Ca -0.26 0.18 -0.03 0.00 -0.16 0.00 0.00 57.90 57.63 1st7 n TYR 84 Cb 0.86 -0.98 0.02 0.00 -0.31 0.00 0.00 39.34 38.93 1st7 n TYR 84 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1st7 h SER 85 N 0.00 -1.47 0.00 7.72 0.87 -1.08 -3.34 113.55 116.25 1st7 h SER 85 Ca -0.27 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1st7 h SER 85 Cb 1.75 0.75 0.00 0.00 -0.44 0.00 0.00 62.40 64.46 1st7 h SER 85 CO 0.04 -0.29 0.00 -1.20 -0.53 0.00 0.00 176.83 174.85