#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m12 s ASP 2 N 0.00 6.44 0.39 -3.46 1.47 -1.26 -4.87 116.67 115.38 1m12 s ASP 2 Ca 0.00 2.30 0.27 0.00 1.18 0.00 0.00 52.55 56.30 1m12 s ASP 2 Cb 0.00 -2.53 0.88 0.00 -0.34 0.00 0.00 42.92 40.93 1m12 s ASP 2 CO 0.00 -1.11 1.78 -0.37 0.68 0.00 0.00 175.17 176.15 1m12 h VAL 3 N 5.81 0.00 -0.00 2.11 -1.51 -2.01 -3.30 116.25 117.35 1m12 h VAL 3 Ca -0.43 -0.59 -0.01 0.00 -1.23 0.00 0.00 66.70 64.44 1m12 h VAL 3 Cb 1.20 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 1m12 h VAL 3 CO 0.95 0.00 -0.03 1.88 -1.23 0.00 0.00 177.57 179.14 1m12 h TYR 4 N 0.00 0.04 -0.71 5.19 0.05 -1.93 -3.09 116.97 116.52 1m12 h TYR 4 Ca 0.00 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.77 1m12 h TYR 4 Cb 0.67 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.37 1m12 h TYR 4 CO 0.00 0.77 0.46 0.00 -1.05 0.00 0.00 178.16 178.34 1m12 h GLU 6 N 0.93 0.84 -0.31 0.00 4.39 -1.64 -1.32 114.58 117.46 1m12 h GLU 6 Ca 0.26 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.79 1m12 h GLU 6 Cb -0.08 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.38 1m12 h GLU 6 CO -0.07 0.55 -0.29 0.28 -1.16 0.00 0.00 179.01 178.33 1m12 h VAL 7 N 0.86 1.29 -0.24 3.13 2.07 -1.24 -1.70 116.25 120.43 1m12 h VAL 7 Ca 0.48 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1m12 h VAL 7 Cb 0.53 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1m12 h VAL 7 CO -0.29 0.47 0.16 0.00 0.02 0.00 0.00 177.57 177.93 1m12 h GLU 9 N 0.32 0.00 -0.08 0.00 5.08 -1.14 -2.72 114.58 116.04 1m12 h GLU 9 Ca 0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1m12 h GLU 9 Cb -0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1m12 h GLU 9 CO -0.02 0.84 -0.11 0.35 -1.00 0.00 0.00 179.01 179.07 1m12 h PHE 10 N 0.00 0.27 -0.52 4.33 3.57 -0.14 -1.00 116.94 123.46 1m12 h PHE 10 Ca -0.01 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 1m12 h PHE 10 Cb 1.64 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.30 1m12 h PHE 10 CO 0.00 0.69 0.25 -0.07 -2.23 0.00 0.00 178.31 176.95 1m12 h LEU 11 N -0.23 0.67 -0.26 0.59 3.38 -1.31 -1.15 115.31 117.01 1m12 h LEU 11 Ca 0.01 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1m12 h LEU 11 Cb 0.66 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1m12 h LEU 11 CO 0.03 0.61 0.14 0.58 0.09 0.00 0.00 178.44 179.89 1m12 h VAL 12 N 0.69 1.02 -0.70 1.22 2.07 -1.47 0.33 116.25 119.41 1m12 h VAL 12 Ca 0.18 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1m12 h VAL 12 Cb 0.12 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1m12 h VAL 12 CO -0.02 0.05 0.42 0.50 0.02 0.00 0.00 177.57 178.54 1m12 h LYS 13 N 0.30 0.77 -0.22 1.57 3.64 -0.86 -1.08 116.57 120.70 1m12 h LYS 13 Ca 0.10 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 1m12 h LYS 13 Cb 0.01 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1m12 h LYS 13 CO -0.05 0.51 -0.55 0.93 -2.27 0.00 0.00 179.45 178.02 1m12 h GLU 14 N 0.79 0.65 -0.42 1.90 4.39 -0.70 -3.08 114.58 118.13 1m12 h GLU 14 Ca 0.30 -0.41 -0.09 0.00 0.34 0.00 0.00 59.36 59.49 1m12 h GLU 14 Cb 0.11 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1m12 h GLU 14 CO -0.15 1.03 -0.11 0.28 -1.16 0.00 0.00 179.01 178.91 1m12 h VAL 15 N 0.50 1.27 -0.73 3.13 2.07 0.27 -2.57 116.25 120.20 1m12 h VAL 15 Ca 0.01 -1.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.26 1m12 h VAL 15 Cb 1.11 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 1m12 h VAL 15 CO 0.11 0.41 0.23 0.71 0.02 0.00 0.00 177.57 179.05 1m12 h THR 16 N 0.63 1.26 -0.28 2.57 1.35 -1.22 0.51 112.91 117.73 1m12 h THR 16 Ca 0.10 -0.90 -0.02 0.00 -0.55 0.00 0.00 66.41 65.04 1m12 h THR 16 Cb 0.64 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 67.49 1m12 h THR 16 CO 0.04 0.35 0.07 0.50 -0.25 0.00 0.00 175.52 176.24 1m12 h LYS 17 N 1.09 0.39 -0.21 4.72 3.64 -1.47 1.10 116.57 125.83 1m12 h LYS 17 Ca 0.24 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.38 1m12 h LYS 17 Cb 0.30 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1m12 h LYS 17 CO -0.01 0.36 -0.60 -0.07 -2.27 0.00 0.00 179.45 176.87 1m12 h LEU 18 N 0.39 0.79 -0.77 5.20 3.38 -0.76 0.17 115.31 123.71 1m12 h LEU 18 Ca 0.10 -0.44 -0.13 0.00 0.09 0.00 0.00 57.88 57.49 1m12 h LEU 18 Cb 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1m12 h LEU 18 CO -0.00 1.20 -0.52 0.40 0.09 0.00 0.00 178.44 179.60 1m12 h ILE 19 N 0.52 1.36 0.00 1.22 2.04 0.15 -2.55 117.51 120.24 1m12 h ILE 19 Ca -0.00 -1.79 -0.06 0.00 1.00 0.00 0.00 64.86 64.01 1m12 h ILE 19 Cb 1.18 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 1m12 h ILE 19 CO 0.12 0.53 -0.27 -0.78 0.00 0.00 0.00 178.15 177.75 1m12 h ASP 20 N 0.19 0.00 -0.09 1.72 3.58 0.15 -2.98 116.42 118.98 1m12 h ASP 20 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1m12 h ASP 20 Cb 0.99 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1m12 h ASP 20 CO 0.08 0.27 0.00 -3.20 -2.88 0.00 0.00 179.24 173.51 1m12 n ASN 21 N -3.25 1.34 -0.83 2.28 5.15 0.56 -4.94 115.26 115.58 1m12 n ASN 21 Ca 0.02 -1.57 -0.02 0.00 -0.60 0.00 0.00 54.58 52.41 1m12 n ASN 21 Cb 0.56 -0.06 0.01 0.00 -0.53 0.00 0.00 39.78 39.76 1m12 n ASN 21 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1m12 n ASN 22 N 0.08 -2.26 -4.91 1.20 4.13 -1.13 -5.07 115.26 107.31 1m12 n ASN 22 Ca 0.17 -0.04 -0.30 0.00 1.68 0.00 0.00 54.58 56.09 1m12 n ASN 22 Cb 0.30 -0.84 -0.04 0.00 -1.54 0.00 0.00 39.78 37.65 1m12 n ASN 22 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1m12 s LYS 23 N -4.88 3.54 0.95 3.52 1.02 -1.10 -5.07 119.74 117.73 1m12 s LYS 23 Ca 0.03 -0.25 -0.15 0.00 0.02 0.00 0.00 55.97 55.62 1m12 s LYS 23 Cb -0.02 -2.90 0.18 0.00 -0.52 0.00 0.00 37.83 34.57 1m12 s LYS 23 CO 0.05 0.49 1.25 0.95 -0.92 0.00 0.00 175.35 177.18 1m12 s THR 24 N -1.67 1.96 0.09 2.17 -4.23 -1.26 -4.84 115.64 107.86 1m12 s THR 24 Ca 0.39 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.72 1m12 s THR 24 Cb -0.12 -2.92 -0.07 0.00 1.34 0.00 0.00 72.50 70.72 1m12 s THR 24 CO 0.27 0.00 1.50 -0.08 -0.54 0.00 0.00 174.62 175.77 1m12 h GLU 25 N -1.60 0.53 -0.60 3.99 4.81 -2.00 -2.90 114.58 116.81 1m12 h GLU 25 Ca -0.45 -0.19 0.12 0.00 -0.13 0.00 0.00 59.36 58.70 1m12 h GLU 25 Cb 1.27 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 1m12 h GLU 25 CO 0.46 0.72 0.41 -0.22 -0.73 0.00 0.00 179.01 179.65 1m12 h LYS 26 N 0.30 0.29 0.04 1.92 3.11 -2.00 -1.61 116.57 118.62 1m12 h LYS 26 Ca 0.07 -0.02 -0.24 0.00 -2.81 0.00 0.00 60.65 57.66 1m12 h LYS 26 Cb 0.51 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.68 1m12 h LYS 26 CO 0.02 0.19 -1.03 0.93 -2.81 0.00 0.00 179.45 176.76 1m12 h GLU 27 N 0.30 0.39 -0.70 1.90 3.07 -1.89 -2.35 114.58 115.31 1m12 h GLU 27 Ca 0.29 -0.47 -0.07 0.00 -0.50 0.00 0.00 59.36 58.60 1m12 h GLU 27 Cb 0.71 0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.74 1m12 h GLU 27 CO -0.07 1.15 0.16 0.82 -1.40 0.00 0.00 179.01 179.67 1m12 h ILE 28 N 0.20 1.26 0.00 3.13 2.04 -1.13 -0.66 117.51 122.35 1m12 h ILE 28 Ca -0.10 -0.99 -0.12 0.00 1.00 0.00 0.00 64.86 64.65 1m12 h ILE 28 Cb 1.69 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1m12 h ILE 28 CO 0.18 0.38 -0.59 -0.07 0.00 0.00 0.00 178.15 178.05 1m12 h LEU 29 N 1.06 0.00 -0.24 1.44 3.38 -1.49 -2.53 115.31 116.92 1m12 h LEU 29 Ca 0.22 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1m12 h LEU 29 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1m12 h LEU 29 CO 0.00 0.59 -0.14 -0.78 0.09 0.00 0.00 178.44 178.20 1m12 h ASP 30 N 0.00 0.55 0.66 -0.43 3.58 -0.83 -3.01 116.42 116.93 1m12 h ASP 30 Ca -0.01 -0.43 -0.05 0.00 0.42 0.00 0.00 57.03 56.97 1m12 h ASP 30 Cb 1.12 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 1m12 h ASP 30 CO 0.08 0.85 -0.22 0.00 -2.88 0.00 0.00 179.24 177.07 1m12 h ALA 31 N 0.71 1.13 0.00 -0.78 0.00 -1.06 -2.84 119.26 116.43 1m12 h ALA 31 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1m12 h ALA 31 Cb 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1m12 h ALA 31 CO 0.04 0.28 0.30 1.19 0.00 0.00 0.00 179.25 181.06 1m12 n PHE 32 N -3.56 0.25 0.08 0.00 3.01 -0.96 0.10 117.46 116.38 1m12 n PHE 32 Ca -0.01 0.13 0.01 0.00 1.01 0.00 0.00 57.45 58.59 1m12 n PHE 32 Cb 0.37 -0.48 -0.04 0.00 -0.01 0.00 0.00 39.48 39.33 1m12 n PHE 32 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1m12 h ASP 33 N 0.00 0.00 -0.10 4.37 3.32 -1.68 -3.34 116.42 118.99 1m12 h ASP 33 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1m12 h ASP 33 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1m12 h ASP 33 CO 0.00 0.55 0.00 0.29 -1.72 0.00 0.00 179.24 178.36 1m12 n LYS 34 N -3.05 1.10 0.04 3.56 5.02 0.28 -4.63 118.16 120.48 1m12 n LYS 34 Ca -0.04 -1.32 -0.20 0.00 -2.02 0.00 0.00 58.31 54.73 1m12 n LYS 34 Cb 0.79 -1.18 -0.14 0.00 -0.02 0.00 0.00 35.03 34.48 1m12 n LYS 34 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 1m12 h MET 35 N 1.66 0.28 0.00 1.97 4.05 -1.15 -3.01 114.93 118.72 1m12 h MET 35 Ca 0.00 -0.47 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 1m12 h MET 35 Cb 0.47 0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 1m12 h MET 35 CO 0.00 1.23 0.00 0.00 0.23 0.00 0.00 176.91 178.37 1m12 n SER 37 N -1.05 0.20 -0.71 0.00 7.64 -1.14 -3.43 113.62 115.14 1m12 n SER 37 Ca 0.05 0.47 0.12 0.00 1.01 0.00 0.00 58.87 60.52 1m12 n SER 37 Cb 0.03 -0.51 0.34 0.00 -1.01 0.00 0.00 64.21 63.06 1m12 n SER 37 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1m12 n LYS 38 N -1.66 1.96 -4.32 1.43 4.76 -0.42 -4.88 118.16 115.03 1m12 n LYS 38 Ca 0.07 -1.42 -0.35 0.00 -2.87 0.00 0.00 58.31 53.74 1m12 n LYS 38 Cb 0.36 -1.46 -0.09 0.00 -1.84 0.00 0.00 35.03 32.00 1m12 n LYS 38 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1m12 s LEU 39 N -1.79 3.65 0.98 -0.35 1.43 -1.22 -5.08 118.68 116.30 1m12 s LEU 39 Ca 0.34 0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 53.44 1m12 s LEU 39 Cb 0.20 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 44.45 1m12 s LEU 39 CO 0.30 0.37 -0.44 -2.65 0.23 0.00 0.00 176.35 174.16 1m12 n PRO 40 N 2.03 -0.09 0.28 1.29 -0.02 -1.26 -4.72 135.00 132.52 1m12 n PRO 40 Ca -0.18 -0.01 0.15 0.00 -2.02 0.00 0.00 63.50 61.43 1m12 n PRO 40 Cb 0.54 -1.26 0.80 0.00 -0.02 0.00 0.00 33.50 33.56 1m12 n PRO 40 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1m12 h LYS 41 N -1.16 0.00 0.00 -0.52 3.64 -1.97 -2.83 116.57 113.73 1m12 h LYS 41 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1m12 h LYS 41 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1m12 h LYS 41 CO 0.26 0.08 0.00 -1.13 -2.27 0.00 0.00 179.45 176.40 1m12 n SER 42 N -3.54 0.00 -0.13 4.20 3.41 -1.26 -2.53 113.62 113.77 1m12 n SER 42 Ca -0.02 0.22 0.03 0.00 -0.26 0.00 0.00 58.87 58.85 1m12 n SER 42 Cb 0.21 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 63.77 1m12 n SER 42 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1m12 n LEU 43 N -1.39 0.90 -0.15 1.04 4.32 -1.07 -4.76 117.00 115.89 1m12 n LEU 43 Ca 0.08 -0.73 -0.04 0.00 -0.02 0.00 0.00 56.01 55.30 1m12 n LEU 43 Cb 0.21 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.98 1m12 n LEU 43 CO 0.19 0.19 0.46 -0.24 -1.22 0.00 0.00 177.39 176.77 1m12 n SER 44 N -0.45 -0.39 0.15 -1.43 2.88 -1.05 -3.27 113.62 110.06 1m12 n SER 44 Ca 0.03 1.22 -0.14 0.00 -1.33 0.00 0.00 58.87 58.65 1m12 n SER 44 Cb 0.14 -0.37 -0.06 0.00 -0.75 0.00 0.00 64.21 63.16 1m12 n SER 44 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1m12 h GLU 45 N 0.00 -0.55 -0.09 -1.46 5.08 -1.86 -2.45 114.58 113.25 1m12 h GLU 45 Ca 0.06 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1m12 h GLU 45 Cb 0.15 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1m12 h GLU 45 CO -0.34 -0.37 0.24 0.93 -1.00 0.00 0.00 179.01 178.48 1m12 h GLU 46 N -0.57 0.00 0.14 2.33 3.07 -1.91 0.90 114.58 118.55 1m12 h GLU 46 Ca 0.01 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.66 1m12 h GLU 46 Cb 0.57 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.50 1m12 h GLU 46 CO -0.14 0.00 -0.93 0.00 -1.40 0.00 0.00 179.01 176.55 1m12 h GLN 48 N -0.21 0.70 -0.45 0.00 4.20 -0.55 0.31 115.11 119.11 1m12 h GLN 48 Ca -0.16 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.38 1m12 h GLN 48 Cb 1.71 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 29.32 1m12 h GLN 48 CO 0.18 0.46 -0.24 1.49 -0.67 0.00 0.00 178.83 180.05 1m12 h GLU 49 N 0.72 0.95 0.12 1.46 4.81 -1.52 -0.19 114.58 120.94 1m12 h GLU 49 Ca 0.47 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1m12 h GLU 49 Cb 0.61 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1m12 h GLU 49 CO -0.33 1.09 -0.06 0.28 -0.73 0.00 0.00 179.01 179.26 1m12 h VAL 50 N 0.79 1.06 0.42 0.32 2.07 -0.99 -1.11 116.25 118.82 1m12 h VAL 50 Ca 0.10 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1m12 h VAL 50 Cb 0.81 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1m12 h VAL 50 CO 0.07 0.22 -0.20 0.58 0.02 0.00 0.00 177.57 178.25 1m12 h VAL 51 N -0.63 0.58 -0.68 2.57 2.07 -0.48 0.91 116.25 120.60 1m12 h VAL 51 Ca -0.02 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1m12 h VAL 51 Cb 0.49 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1m12 h VAL 51 CO 0.03 0.01 0.28 0.44 0.02 0.00 0.00 177.57 178.35 1m12 h ASP 52 N -0.59 0.92 0.18 0.57 3.32 -1.11 0.24 116.42 119.95 1m12 h ASP 52 Ca -0.06 -0.16 -0.36 0.00 0.02 0.00 0.00 57.03 56.47 1m12 h ASP 52 Cb 0.45 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1m12 h ASP 52 CO 0.10 0.83 -1.83 0.74 -1.72 0.00 0.00 179.24 177.36 1m12 h THR 53 N 0.95 0.84 -0.50 0.35 2.02 -1.17 -3.38 112.91 112.02 1m12 h THR 53 Ca 0.23 -2.46 -0.27 0.00 0.77 0.00 0.00 66.41 64.67 1m12 h THR 53 Cb 0.19 2.68 -0.16 0.00 -1.74 0.00 0.00 68.15 69.11 1m12 h THR 53 CO -0.02 0.87 0.03 -1.22 0.37 0.00 0.00 175.52 175.55 1m12 n TYR 54 N -3.55 1.55 -0.06 3.16 4.02 0.31 -4.73 117.16 117.86 1m12 n TYR 54 Ca -0.27 -1.74 -0.08 0.00 -0.01 0.00 0.00 57.90 55.80 1m12 n TYR 54 Cb 1.07 -0.60 -0.07 0.00 -0.02 0.00 0.00 39.34 39.71 1m12 n TYR 54 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1m12 h GLY 55 N 1.09 0.00 2.00 2.72 0.00 -0.49 -2.88 103.07 105.50 1m12 h GLY 55 Ca 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.57 1m12 h GLY 55 CO 0.57 0.00 -0.36 1.76 0.00 0.00 0.00 176.54 178.51 1m12 h SER 56 N -1.00 0.00 -0.00 0.19 0.02 -1.85 -2.74 113.55 108.16 1m12 h SER 56 Ca -0.01 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1m12 h SER 56 Cb 0.59 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.13 1m12 h SER 56 CO -0.01 0.36 -0.32 0.77 -1.14 0.00 0.00 176.83 176.49 1m12 h SER 57 N 0.00 0.28 0.37 3.07 4.64 -1.87 -0.72 113.55 119.33 1m12 h SER 57 Ca -0.00 -0.77 -0.01 0.00 -0.47 0.00 0.00 61.79 60.54 1m12 h SER 57 Cb 0.66 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1m12 h SER 57 CO 0.05 1.02 -0.30 0.40 -0.87 0.00 0.00 176.83 177.12 1m12 h ILE 58 N -0.42 0.37 -0.06 0.95 2.04 -1.52 0.24 117.51 119.11 1m12 h ILE 58 Ca -0.04 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1m12 h ILE 58 Cb 1.06 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1m12 h ILE 58 CO 0.06 0.00 0.07 0.25 0.00 0.00 0.00 178.15 178.53 1m12 h LEU 59 N -0.68 0.00 0.13 1.44 5.85 -1.58 -1.48 115.31 118.99 1m12 h LEU 59 Ca -0.03 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.40 1m12 h LEU 59 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1m12 h LEU 59 CO -0.02 0.00 -1.36 -1.28 -0.34 0.00 0.00 178.44 175.44 1m12 h SER 60 N 0.00 0.42 -0.04 1.25 0.87 0.36 -3.29 113.55 113.12 1m12 h SER 60 Ca 0.03 -0.49 -0.01 0.00 -1.23 0.00 0.00 61.79 60.09 1m12 h SER 60 Cb 0.17 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1m12 h SER 60 CO -0.00 1.39 -0.02 0.40 -0.53 0.00 0.00 176.83 178.07 1m12 h ILE 61 N 0.07 1.34 -0.48 2.23 2.04 -0.04 -3.09 117.51 119.58 1m12 h ILE 61 Ca -0.18 -1.07 0.13 0.00 1.00 0.00 0.00 64.86 64.74 1m12 h ILE 61 Cb 1.99 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 40.03 1m12 h ILE 61 CO 0.19 0.29 0.34 -0.07 0.00 0.00 0.00 178.15 178.90 1m12 h LEU 62 N -0.33 0.08 -0.07 1.44 3.38 -1.46 0.16 115.31 118.51 1m12 h LEU 62 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1m12 h LEU 62 Cb 0.48 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1m12 h LEU 62 CO 0.01 0.04 0.00 0.18 0.09 0.00 0.00 178.44 178.76 1m12 n LEU 63 N -4.42 0.35 -0.35 1.67 4.77 -1.17 -2.60 117.00 115.25 1m12 n LEU 63 Ca 0.08 0.54 0.08 0.00 -0.03 0.00 0.00 56.01 56.68 1m12 n LEU 63 Cb 0.50 -0.44 0.32 0.00 -2.33 0.00 0.00 43.42 41.46 1m12 n LEU 63 CO 0.36 -0.15 0.72 -0.62 -1.33 0.00 0.00 177.39 176.38 1m12 n GLU 64 N -1.83 1.45 -2.09 3.23 -0.58 0.57 -4.87 120.64 116.52 1m12 n GLU 64 Ca 0.06 -0.69 -0.05 0.00 -0.42 0.00 0.00 57.16 56.06 1m12 n GLU 64 Cb 0.34 -1.28 -0.00 0.00 -0.57 0.00 0.00 31.44 29.92 1m12 n GLU 64 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1m12 n GLU 65 N -0.04 -0.38 -3.39 3.49 2.13 -1.07 -5.03 120.64 116.35 1m12 n GLU 65 Ca 0.12 0.23 -0.36 0.00 0.66 0.00 0.00 57.16 57.81 1m12 n GLU 65 Cb 0.21 -3.98 -0.06 0.00 0.27 0.00 0.00 31.44 27.88 1m12 n GLU 65 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1m12 s VAL 66 N -2.24 4.89 0.70 6.31 1.01 -1.25 -5.03 120.40 124.78 1m12 s VAL 66 Ca 0.00 0.82 -0.16 0.00 0.00 0.00 0.00 61.98 62.64 1m12 s VAL 66 Cb -0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1m12 s VAL 66 CO 0.00 0.30 0.61 -0.24 0.00 0.00 0.00 175.10 175.77 1m12 n SER 67 N 0.98 -0.87 -0.15 3.32 2.88 -1.26 -4.78 113.62 113.74 1m12 n SER 67 Ca -0.07 0.63 -0.11 0.00 -1.33 0.00 0.00 58.87 57.99 1m12 n SER 67 Cb 0.52 -1.24 -0.01 0.00 -0.75 0.00 0.00 64.21 62.73 1m12 n SER 67 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1m12 h PRO 68 N -0.24 0.83 0.00 -1.46 0.13 -1.98 -3.10 132.00 126.17 1m12 h PRO 68 Ca -0.46 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1m12 h PRO 68 Cb 1.35 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1m12 h PRO 68 CO 0.44 0.92 0.00 -0.85 -0.23 0.00 0.00 178.00 178.28 1m12 n GLU 69 N -4.32 0.24 0.17 0.86 0.28 -1.26 -2.49 120.64 114.12 1m12 n GLU 69 Ca -0.00 0.26 0.13 0.00 -0.16 0.00 0.00 57.16 57.39 1m12 n GLU 69 Cb 0.35 -1.81 0.50 0.00 1.43 0.00 0.00 31.44 31.91 1m12 n GLU 69 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1m12 h LEU 70 N 0.00 0.00 0.41 -1.84 3.38 -1.90 -3.20 115.31 112.16 1m12 h LEU 70 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1m12 h LEU 70 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1m12 h LEU 70 CO 0.00 0.00 -0.20 0.58 0.09 0.00 0.00 178.44 178.91 1m12 h VAL 71 N 0.00 0.56 0.00 1.22 2.07 -1.58 0.99 116.25 119.50 1m12 h VAL 71 Ca 0.00 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1m12 h VAL 71 Cb 0.52 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1m12 h VAL 71 CO 0.00 0.07 -0.15 0.00 0.02 0.00 0.00 177.57 177.51 1m12 h SER 73 N 0.00 0.84 -0.19 0.00 0.87 -1.56 -2.37 113.55 111.14 1m12 h SER 73 Ca -0.00 -0.78 -0.17 0.00 -1.23 0.00 0.00 61.79 59.60 1m12 h SER 73 Cb 0.30 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1m12 h SER 73 CO 0.02 1.59 -0.55 0.24 -0.53 0.00 0.00 176.83 177.60 1m12 h MET 74 N 0.26 0.71 -0.35 2.24 2.86 -0.53 -2.94 114.93 117.18 1m12 h MET 74 Ca -0.19 -0.51 0.00 0.00 -2.06 0.00 0.00 59.70 56.94 1m12 h MET 74 Cb 1.92 0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.67 1m12 h MET 74 CO 0.24 1.13 0.00 1.28 1.06 0.00 0.00 176.91 180.62 1m12 n LEU 75 N -4.11 0.35 -1.65 1.22 4.77 -0.78 -4.76 117.00 112.05 1m12 n LEU 75 Ca -0.06 -0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 55.64 1m12 n LEU 75 Cb 0.62 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1m12 n LEU 75 CO 0.49 0.09 -0.11 1.41 -1.33 0.00 0.00 177.39 177.94 1m12 n HIS 76 N -0.08 -0.80 0.81 -1.77 8.25 -1.11 -4.75 115.22 115.77 1m12 n HIS 76 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 1m12 n HIS 76 Cb 0.09 -2.33 0.33 0.00 1.12 0.00 0.00 29.99 29.20 1m12 n HIS 76 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1m12 n LEU 77 N -2.02 0.49 -4.27 2.41 4.77 -1.03 -4.84 117.00 112.50 1m12 n LEU 77 Ca -0.11 0.27 -0.20 0.00 -0.03 0.00 0.00 56.01 55.94 1m12 n LEU 77 Cb 0.42 -0.30 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 1m12 n LEU 77 CO 0.16 -0.00 -0.47 0.00 -1.33 0.00 0.00 177.39 175.74 1m12 s SER 79 N -2.46 6.91 0.32 0.00 0.01 -1.26 -4.81 113.70 112.41 1m12 s SER 79 Ca 0.11 2.35 0.02 0.00 1.31 0.00 0.00 55.95 59.74 1m12 s SER 79 Cb -0.06 -2.60 0.04 0.00 0.21 0.00 0.00 66.02 63.61 1m12 s SER 79 CO 0.04 -0.54 0.29 0.61 0.41 0.00 0.00 173.24 174.06 1m12 n GLY 80 N 2.61 1.42 3.52 3.44 0.00 -1.26 -4.98 105.19 109.93 1m12 n GLY 80 Ca 0.07 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 1m12 n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1m12 s LEU 81 N 0.00 4.31 -0.51 0.99 1.43 -1.26 -4.92 118.68 118.72 1m12 s LEU 81 Ca 0.21 -2.28 0.00 0.00 -1.03 0.00 0.00 54.13 51.03 1m12 s LEU 81 Cb -0.01 -2.50 0.13 0.00 0.03 0.00 0.00 46.19 43.84 1m12 s LEU 81 CO 0.13 -1.12 0.28 0.54 0.23 0.00 0.00 176.35 176.42 1m12 s VAL 82 N 3.41 3.10 -2.00 -1.59 0.11 -1.26 -4.93 120.40 117.25 1m12 s VAL 82 Ca 0.45 -2.79 0.01 0.00 -2.93 0.00 0.00 61.98 56.72 1m12 s VAL 82 Cb -0.00 -3.11 0.02 0.00 -1.53 0.00 0.00 36.38 31.76 1m12 s VAL 82 CO -0.02 -0.78 0.47 -0.81 -3.33 0.00 0.00 175.10 170.64 1m12 n PRO 83 N 3.71 0.43 -0.32 1.54 -0.05 -1.26 -5.27 135.00 133.78 1m12 n PRO 83 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.49 1m12 n PRO 83 Cb 0.38 -1.02 0.00 0.00 -0.05 0.00 0.00 33.50 32.80 1m12 n PRO 83 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 175.50 173.32