#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 6.13 0.02 -3.46 -1.08 -1.26 -4.86 116.67 112.17 1m12 s ASP 2 Ca 0.00 1.35 0.21 0.00 -0.52 0.00 0.00 52.55 53.59 1m12 s ASP 2 Cb 0.00 -2.53 0.90 0.00 -1.46 0.00 0.00 42.92 39.83 1m12 s ASP 2 CO 0.00 -1.50 1.68 1.33 0.52 0.00 0.00 175.17 177.20 1m12 n VAL 3 N 7.02 0.56 -0.03 1.11 0.24 -1.26 -3.74 118.33 122.23 1m12 n VAL 3 Ca 0.20 0.13 -0.15 0.00 -2.04 0.00 0.00 64.34 62.48 1m12 n VAL 3 Cb 0.46 -0.78 -0.11 0.00 -1.47 0.00 0.00 33.84 31.94 1m12 n VAL 3 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1m12 h TYR 4 N 0.00 0.26 -0.80 6.34 0.05 -1.91 -2.83 116.97 118.07 1m12 h TYR 4 Ca 0.00 -0.13 0.09 0.00 0.05 0.00 0.00 58.73 58.74 1m12 h TYR 4 Cb 0.38 -0.03 -0.07 0.00 1.01 0.00 0.00 36.73 38.01 1m12 h TYR 4 CO 0.00 0.89 0.46 0.00 -1.05 0.00 0.00 178.16 178.46 1m12 h GLU 6 N 0.79 0.59 -0.25 0.00 4.81 -1.69 -2.34 114.58 116.50 1m12 h GLU 6 Ca 0.38 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.40 1m12 h GLU 6 Cb 0.31 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1m12 h GLU 6 CO -0.23 0.40 -0.53 0.28 -0.73 0.00 0.00 179.01 178.21 1m12 h VAL 7 N 0.60 1.30 -0.31 0.32 2.07 -1.13 -2.24 116.25 116.86 1m12 h VAL 7 Ca 0.16 -1.74 0.01 0.00 0.82 0.00 0.00 66.70 65.96 1m12 h VAL 7 Cb -0.06 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1m12 h VAL 7 CO -0.03 0.55 0.18 0.00 0.02 0.00 0.00 177.57 178.29 1m12 h GLU 9 N 0.36 0.00 -0.11 0.00 4.39 -1.40 -1.39 114.58 116.43 1m12 h GLU 9 Ca 0.12 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 1m12 h GLU 9 Cb 0.01 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1m12 h GLU 9 CO -0.06 0.35 -0.05 0.35 -1.16 0.00 0.00 179.01 178.44 1m12 h PHE 10 N 0.00 0.27 -0.48 4.33 3.57 -0.65 0.49 116.94 124.48 1m12 h PHE 10 Ca -0.00 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1m12 h PHE 10 Cb 0.63 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1m12 h PHE 10 CO 0.00 0.58 0.23 -0.07 -2.23 0.00 0.00 178.31 176.82 1m12 h LEU 11 N -0.12 0.63 -0.21 0.59 3.38 -1.05 0.11 115.31 118.63 1m12 h LEU 11 Ca 0.03 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1m12 h LEU 11 Cb 0.50 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1m12 h LEU 11 CO 0.02 0.58 0.12 0.58 0.09 0.00 0.00 178.44 179.82 1m12 h VAL 12 N 0.63 1.01 -0.54 1.22 2.07 -1.18 0.85 116.25 120.31 1m12 h VAL 12 Ca 0.17 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.63 1m12 h VAL 12 Cb 0.11 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1m12 h VAL 12 CO -0.02 0.04 0.33 0.50 0.02 0.00 0.00 177.57 178.44 1m12 h LYS 13 N 0.24 0.63 -0.23 1.57 3.64 -0.57 0.41 116.57 122.27 1m12 h LYS 13 Ca 0.08 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.26 1m12 h LYS 13 Cb 0.00 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1m12 h LYS 13 CO -0.05 0.42 -0.54 1.49 -2.27 0.00 0.00 179.45 178.50 1m12 h GLU 14 N 0.65 0.67 -0.19 1.90 4.22 -0.49 -2.99 114.58 118.34 1m12 h GLU 14 Ca 0.22 -0.42 -0.07 0.00 0.08 0.00 0.00 59.36 59.17 1m12 h GLU 14 Cb 0.02 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1m12 h GLU 14 CO -0.09 1.03 -0.17 0.28 -2.18 0.00 0.00 179.01 177.88 1m12 h VAL 15 N 0.52 1.33 -0.68 0.32 2.07 0.12 -2.66 116.25 117.25 1m12 h VAL 15 Ca 0.01 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1m12 h VAL 15 Cb 1.10 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 1m12 h VAL 15 CO 0.11 0.40 0.35 0.71 0.02 0.00 0.00 177.57 179.16 1m12 h THR 16 N 0.13 1.21 -0.24 2.57 1.35 -0.96 0.31 112.91 117.29 1m12 h THR 16 Ca 0.03 -0.56 -0.03 0.00 -0.55 0.00 0.00 66.41 65.30 1m12 h THR 16 Cb 0.70 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 1m12 h THR 16 CO 0.04 0.24 0.01 0.50 -0.25 0.00 0.00 175.52 176.07 1m12 h LYS 17 N 0.96 0.34 -0.15 4.72 3.64 -1.47 0.89 116.57 125.51 1m12 h LYS 17 Ca 0.24 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.41 1m12 h LYS 17 Cb 0.06 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1m12 h LYS 17 CO -0.04 0.36 -0.56 -0.07 -2.27 0.00 0.00 179.45 176.87 1m12 h LEU 18 N 0.34 0.50 -0.60 5.20 3.38 -0.52 0.12 115.31 123.72 1m12 h LEU 18 Ca 0.08 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.63 1m12 h LEU 18 Cb 0.21 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1m12 h LEU 18 CO 0.00 0.95 -0.62 0.40 0.09 0.00 0.00 178.44 179.26 1m12 h ILE 19 N 0.34 1.38 0.00 1.22 2.04 0.15 -2.74 117.51 119.90 1m12 h ILE 19 Ca 0.00 -2.01 -0.05 0.00 1.00 0.00 0.00 64.86 63.81 1m12 h ILE 19 Cb 1.08 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1m12 h ILE 19 CO 0.10 0.60 -0.25 -0.78 0.00 0.00 0.00 178.15 177.82 1m12 h ASP 20 N 0.21 0.00 -0.11 1.72 3.58 0.12 -2.93 116.42 119.00 1m12 h ASP 20 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1m12 h ASP 20 Cb 1.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1m12 h ASP 20 CO 0.10 0.25 0.00 -3.20 -2.88 0.00 0.00 179.24 173.51 1m12 n ASN 21 N -3.26 1.39 -0.89 2.28 4.05 0.37 -4.93 115.26 114.26 1m12 n ASN 21 Ca 0.01 -1.61 -0.02 0.00 0.45 0.00 0.00 54.58 53.41 1m12 n ASN 21 Cb 0.53 -0.07 0.01 0.00 1.23 0.00 0.00 39.78 41.48 1m12 n ASN 21 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1m12 n ASN 22 N 0.12 -2.34 -4.91 1.20 3.02 -1.11 -5.07 115.26 106.18 1m12 n ASN 22 Ca 0.17 -0.05 -0.30 0.00 -0.03 0.00 0.00 54.58 54.36 1m12 n ASN 22 Cb 0.30 -0.94 -0.04 0.00 -0.61 0.00 0.00 39.78 38.48 1m12 n ASN 22 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1m12 s LYS 23 N -4.92 3.55 0.85 3.52 1.02 -1.08 -5.07 119.74 117.61 1m12 s LYS 23 Ca 0.05 -0.24 -0.13 0.00 0.02 0.00 0.00 55.97 55.67 1m12 s LYS 23 Cb -0.02 -2.89 0.11 0.00 -0.52 0.00 0.00 37.83 34.51 1m12 s LYS 23 CO 0.07 0.48 1.20 0.95 -0.92 0.00 0.00 175.35 177.13 1m12 s THR 24 N -1.69 2.00 0.12 2.17 -4.23 -1.26 -4.83 115.64 107.91 1m12 s THR 24 Ca 0.39 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.74 1m12 s THR 24 Cb -0.12 -2.98 -0.02 0.00 1.34 0.00 0.00 72.50 70.72 1m12 s THR 24 CO 0.27 0.00 1.64 -0.08 -0.54 0.00 0.00 174.62 175.91 1m12 h GLU 25 N -1.21 0.58 -0.68 3.99 4.81 -2.00 -2.47 114.58 117.59 1m12 h GLU 25 Ca -0.46 -0.13 0.14 0.00 -0.13 0.00 0.00 59.36 58.78 1m12 h GLU 25 Cb 1.31 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.57 1m12 h GLU 25 CO 0.60 0.59 0.46 0.87 -0.73 0.00 0.00 179.01 180.80 1m12 h LYS 26 N 0.45 0.32 0.06 1.92 1.57 -2.00 -1.66 116.57 117.24 1m12 h LYS 26 Ca 0.12 -0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.63 1m12 h LYS 26 Cb 0.26 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.50 1m12 h LYS 26 CO -0.00 0.22 -1.09 0.93 -0.57 0.00 0.00 179.45 178.93 1m12 h GLU 27 N 0.33 0.41 -0.67 3.15 4.39 -1.82 -2.45 114.58 117.93 1m12 h GLU 27 Ca 0.33 -0.53 -0.06 0.00 0.34 0.00 0.00 59.36 59.44 1m12 h GLU 27 Cb 0.81 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.60 1m12 h GLU 27 CO -0.09 1.19 0.19 0.82 -1.16 0.00 0.00 179.01 179.96 1m12 h ILE 28 N 0.19 1.25 0.00 3.13 2.04 -0.98 -0.78 117.51 122.37 1m12 h ILE 28 Ca -0.12 -0.89 -0.13 0.00 1.00 0.00 0.00 64.86 64.72 1m12 h ILE 28 Cb 1.76 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1m12 h ILE 28 CO 0.19 0.34 -0.61 -0.07 0.00 0.00 0.00 178.15 178.00 1m12 h LEU 29 N 1.00 0.00 -0.25 1.44 3.38 -1.49 -2.57 115.31 116.81 1m12 h LEU 29 Ca 0.22 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1m12 h LEU 29 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1m12 h LEU 29 CO -0.00 0.61 -0.13 -0.78 0.09 0.00 0.00 178.44 178.23 1m12 h ASP 30 N 0.00 0.55 0.64 -0.43 3.58 -0.87 -2.99 116.42 116.91 1m12 h ASP 30 Ca -0.01 -0.41 -0.04 0.00 0.42 0.00 0.00 57.03 56.99 1m12 h ASP 30 Cb 1.15 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 1m12 h ASP 30 CO 0.08 0.84 -0.21 0.00 -2.88 0.00 0.00 179.24 177.07 1m12 h ALA 31 N 0.73 1.15 0.00 -0.78 0.00 -1.09 -2.74 119.26 116.52 1m12 h ALA 31 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1m12 h ALA 31 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1m12 h ALA 31 CO 0.04 0.27 0.31 1.19 0.00 0.00 0.00 179.25 181.06 1m12 n PHE 32 N -3.56 0.43 0.14 0.00 3.01 -0.98 0.74 117.46 117.24 1m12 n PHE 32 Ca -0.01 0.22 0.05 0.00 1.01 0.00 0.00 57.45 58.73 1m12 n PHE 32 Cb 0.36 -0.65 0.04 0.00 -0.01 0.00 0.00 39.48 39.22 1m12 n PHE 32 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 1m12 h ASP 33 N 0.00 0.00 0.00 4.37 3.58 -1.65 -3.33 116.42 119.38 1m12 h ASP 33 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1m12 h ASP 33 Cb 0.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.67 1m12 h ASP 33 CO 0.00 0.35 0.00 0.29 -2.88 0.00 0.00 179.24 177.00 1m12 n LYS 34 N -3.09 2.69 0.05 0.28 5.02 0.23 -4.72 118.16 118.62 1m12 n LYS 34 Ca 0.01 -1.42 -0.21 0.00 -2.02 0.00 0.00 58.31 54.66 1m12 n LYS 34 Cb 0.69 -1.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.55 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 0.00 0.32 0.00 1.97 4.05 -1.18 -3.05 114.93 117.04 1m12 h MET 35 Ca 0.00 -0.55 0.00 0.00 -0.28 0.00 0.00 59.70 58.87 1m12 h MET 35 Cb 0.47 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 1m12 h MET 35 CO 0.00 1.26 0.00 0.00 0.23 0.00 0.00 176.91 178.40 1m12 n SER 37 N -1.15 0.76 -0.13 0.00 2.88 -1.15 -3.36 113.62 111.48 1m12 n SER 37 Ca 0.05 -2.02 0.03 0.00 -1.33 0.00 0.00 58.87 55.60 1m12 n SER 37 Cb 0.04 -0.15 0.06 0.00 -0.75 0.00 0.00 64.21 63.41 1m12 n SER 37 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1m12 n LYS 38 N -0.14 2.61 -4.91 -1.46 5.02 -0.53 -5.01 118.16 113.74 1m12 n LYS 38 Ca 0.04 -1.86 -0.28 0.00 -2.02 0.00 0.00 58.31 54.19 1m12 n LYS 38 Cb 0.14 -1.18 -0.15 0.00 -0.02 0.00 0.00 35.03 33.83 1m12 n LYS 38 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1m12 s LEU 39 N -1.48 2.12 0.94 -0.35 1.43 -1.21 -5.11 118.68 115.01 1m12 s LEU 39 Ca 0.11 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 1m12 s LEU 39 Cb 0.09 -1.16 -0.08 0.00 0.03 0.00 0.00 46.19 45.07 1m12 s LEU 39 CO 0.03 0.24 -0.24 -2.65 0.23 0.00 0.00 176.35 173.95 1m12 n PRO 40 N 2.05 -0.08 0.20 1.29 -0.02 -1.26 -4.75 135.00 132.43 1m12 n PRO 40 Ca -0.16 -0.01 0.14 0.00 -2.02 0.00 0.00 63.50 61.45 1m12 n PRO 40 Cb 0.52 -1.36 0.69 0.00 -0.02 0.00 0.00 33.50 33.33 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 -1.10 0.00 0.00 -0.52 3.64 -1.99 -2.91 116.57 113.69 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 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1m12 h LYS 41 CO 0.29 0.00 0.00 0.45 -2.27 0.00 0.00 179.45 177.92 1m12 n SER 42 N -2.53 0.69 -0.25 4.20 2.88 -1.26 -2.76 113.62 114.58 1m12 n SER 42 Ca -0.00 0.64 0.03 0.00 -1.33 0.00 0.00 58.87 58.21 1m12 n SER 42 Cb 0.14 -0.80 0.02 0.00 -0.75 0.00 0.00 64.21 62.82 1m12 n SER 42 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1m12 n LEU 43 N -2.23 1.46 -0.05 2.46 4.77 -1.10 -4.78 117.00 117.53 1m12 n LEU 43 Ca 0.03 -0.95 -0.01 0.00 -0.03 0.00 0.00 56.01 55.04 1m12 n LEU 43 Cb 0.27 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1m12 n LEU 43 CO 0.22 0.30 0.43 -0.24 -1.33 0.00 0.00 177.39 176.77 1m12 n SER 44 N 0.25 -0.14 0.03 -1.43 2.88 -1.11 -2.87 113.62 111.23 1m12 n SER 44 Ca 0.04 0.96 -0.10 0.00 -1.33 0.00 0.00 58.87 58.44 1m12 n SER 44 Cb 0.17 -0.40 -0.04 0.00 -0.75 0.00 0.00 64.21 63.19 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 -0.30 -0.07 -1.46 5.08 -1.86 -2.03 114.58 113.94 1m12 h GLU 45 Ca 0.02 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1m12 h GLU 45 Cb 0.05 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1m12 h GLU 45 CO -0.12 -0.20 0.17 0.93 -1.00 0.00 0.00 179.01 178.79 1m12 h GLU 46 N -0.31 0.00 0.15 2.33 4.39 -1.88 -0.30 114.58 118.95 1m12 h GLU 46 Ca 0.08 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.57 1m12 h GLU 46 Cb 0.43 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1m12 h GLU 46 CO -0.25 0.00 -0.91 0.00 -1.16 0.00 0.00 179.01 176.69 1m12 h GLN 48 N -0.25 0.36 -0.57 0.00 1.08 -0.78 0.67 115.11 115.63 1m12 h GLN 48 Ca -0.15 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 56.93 1m12 h GLN 48 Cb 1.70 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 29.03 1m12 h GLN 48 CO 0.17 0.24 -0.00 1.49 -0.95 0.00 0.00 178.83 179.78 1m12 h GLU 49 N 0.38 1.01 0.14 1.46 4.81 -1.53 0.17 114.58 121.02 1m12 h GLU 49 Ca 0.30 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1m12 h GLU 49 Cb 0.39 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1m12 h GLU 49 CO -0.32 1.00 -0.07 0.28 -0.73 0.00 0.00 179.01 179.18 1m12 h VAL 50 N 0.89 1.02 0.31 0.32 2.07 -0.89 -0.50 116.25 119.48 1m12 h VAL 50 Ca 0.16 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1m12 h VAL 50 Cb 0.55 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1m12 h VAL 50 CO 0.03 0.20 -0.15 0.58 0.02 0.00 0.00 177.57 178.25 1m12 h VAL 51 N -0.62 0.70 -0.55 2.57 2.07 0.33 0.82 116.25 121.56 1m12 h VAL 51 Ca -0.02 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1m12 h VAL 51 Cb 0.48 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1m12 h VAL 51 CO 0.03 0.02 0.20 0.44 0.02 0.00 0.00 177.57 178.28 1m12 h ASP 52 N -0.46 0.78 0.19 0.57 5.19 -0.73 0.28 116.42 122.24 1m12 h ASP 52 Ca -0.04 -0.19 -0.35 0.00 -0.62 0.00 0.00 57.03 55.83 1m12 h ASP 52 Cb 0.35 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 39.66 1m12 h ASP 52 CO 0.07 0.76 -1.78 0.74 -3.12 0.00 0.00 179.24 175.91 1m12 h THR 53 N 0.76 0.91 -0.51 0.35 2.02 -1.07 -3.38 112.91 111.99 1m12 h THR 53 Ca 0.18 -2.50 -0.29 0.00 0.77 0.00 0.00 66.41 64.58 1m12 h THR 53 Cb 0.24 2.75 -0.17 0.00 -1.74 0.00 0.00 68.15 69.22 1m12 h THR 53 CO -0.01 0.86 0.03 -1.22 0.37 0.00 0.00 175.52 175.55 1m12 n TYR 54 N -3.59 1.61 -0.06 3.16 4.02 0.29 -4.74 117.16 117.85 1m12 n TYR 54 Ca -0.25 -1.77 -0.05 0.00 -0.01 0.00 0.00 57.90 55.81 1m12 n TYR 54 Cb 1.08 -0.61 -0.05 0.00 -0.02 0.00 0.00 39.34 39.74 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 1.13 0.00 2.00 2.72 0.00 -0.40 -2.66 103.07 105.86 1m12 h GLY 55 Ca 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.59 1m12 h GLY 55 CO 0.59 0.00 -0.28 1.76 0.00 0.00 0.00 176.54 178.61 1m12 h SER 56 N -1.00 0.00 -0.01 0.19 0.02 -1.85 -2.56 113.55 108.34 1m12 h SER 56 Ca -0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1m12 h SER 56 Cb 0.36 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.91 1m12 h SER 56 CO -0.00 0.28 -0.30 0.77 -1.14 0.00 0.00 176.83 176.44 1m12 h SER 57 N 0.00 0.28 0.51 3.07 4.64 -1.87 -0.75 113.55 119.43 1m12 h SER 57 Ca -0.00 -0.75 -0.02 0.00 -0.47 0.00 0.00 61.79 60.55 1m12 h SER 57 Cb 0.52 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1m12 h SER 57 CO 0.04 1.00 -0.35 0.40 -0.87 0.00 0.00 176.83 177.04 1m12 h ILE 58 N -0.41 0.28 -0.09 0.95 2.04 -1.44 -0.89 117.51 117.95 1m12 h ILE 58 Ca -0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1m12 h ILE 58 Cb 1.03 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1m12 h ILE 58 CO 0.06 0.00 0.12 0.25 0.00 0.00 0.00 178.15 178.58 1m12 h LEU 59 N -0.84 0.00 0.14 1.44 5.85 -1.55 -1.75 115.31 118.60 1m12 h LEU 59 Ca -0.06 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.38 1m12 h LEU 59 Cb 0.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1m12 h LEU 59 CO 0.03 0.00 -1.34 0.28 -0.34 0.00 0.00 178.44 177.07 1m12 h SER 60 N 0.00 0.45 -0.14 1.25 0.02 0.17 -3.34 113.55 111.96 1m12 h SER 60 Ca 0.04 -0.51 -0.05 0.00 -0.84 0.00 0.00 61.79 60.43 1m12 h SER 60 Cb 0.28 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1m12 h SER 60 CO -0.00 1.41 -0.11 0.40 -1.14 0.00 0.00 176.83 177.39 1m12 h ILE 61 N 0.08 1.34 -1.14 3.27 2.04 -0.38 -3.12 117.51 119.60 1m12 h ILE 61 Ca -0.17 -1.22 0.32 0.00 1.00 0.00 0.00 64.86 64.78 1m12 h ILE 61 Cb 2.00 1.84 -0.09 0.00 -0.74 0.00 0.00 36.82 39.83 1m12 h ILE 61 CO 0.20 0.36 0.75 -0.07 0.00 0.00 0.00 178.15 179.39 1m12 h LEU 62 N -0.04 0.31 -0.21 1.44 3.38 -1.56 0.86 115.31 119.49 1m12 h LEU 62 Ca 0.03 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1m12 h LEU 62 Cb 0.61 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1m12 h LEU 62 CO 0.03 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.75 1m12 n LEU 63 N -4.54 0.71 -1.36 1.67 4.77 -1.18 -3.13 117.00 113.93 1m12 n LEU 63 Ca 0.28 0.60 -0.07 0.00 -0.03 0.00 0.00 56.01 56.79 1m12 n LEU 63 Cb 1.07 -0.41 0.06 0.00 -2.33 0.00 0.00 43.42 41.82 1m12 n LEU 63 CO 0.28 -0.28 0.73 -0.62 -1.33 0.00 0.00 177.39 176.16 1m12 n GLU 64 N -2.19 1.45 -2.69 3.23 1.02 0.30 -4.82 120.64 116.94 1m12 n GLU 64 Ca 0.05 -0.95 -0.13 0.00 -0.02 0.00 0.00 57.16 56.11 1m12 n GLU 64 Cb 0.36 -1.40 -0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1m12 n GLU 64 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1m12 n GLU 65 N -0.00 -2.63 -3.44 3.49 1.02 -1.18 -4.93 120.64 112.96 1m12 n GLU 65 Ca 0.18 0.47 -0.35 0.00 -0.02 0.00 0.00 57.16 57.44 1m12 n GLU 65 Cb 0.85 -5.07 -0.06 0.00 -0.02 0.00 0.00 31.44 27.14 1m12 n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1m12 s VAL 66 N -2.59 4.95 0.44 2.62 1.01 -1.26 -5.03 120.40 120.53 1m12 s VAL 66 Ca 0.10 0.67 -0.24 0.00 0.00 0.00 0.00 61.98 62.51 1m12 s VAL 66 Cb -0.05 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 1m12 s VAL 66 CO 0.13 0.24 1.18 -0.24 0.00 0.00 0.00 175.10 176.41 1m12 n SER 67 N 0.79 2.06 -0.12 3.32 2.88 -1.26 -4.82 113.62 116.47 1m12 n SER 67 Ca -0.06 1.06 0.02 0.00 -1.33 0.00 0.00 58.87 58.55 1m12 n SER 67 Cb 0.52 -1.45 0.31 0.00 -0.75 0.00 0.00 64.21 62.84 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 1.76 0.78 0.00 -1.46 0.13 -1.97 -2.54 132.00 128.71 1m12 h PRO 68 Ca -0.47 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1m12 h PRO 68 Cb 1.31 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1m12 h PRO 68 CO 0.58 0.55 0.00 1.05 -0.23 0.00 0.00 178.00 179.95 1m12 h GLU 69 N 0.80 0.00 0.00 0.86 4.11 -2.00 -2.87 114.58 115.48 1m12 h GLU 69 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 1m12 h GLU 69 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1m12 h GLU 69 CO -0.04 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 178.97 1m12 h LEU 70 N 0.00 0.00 0.42 3.06 3.38 -1.81 -3.21 115.31 117.15 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 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 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 0.54 0.00 1.22 2.07 -1.58 0.84 116.25 119.35 1m12 h VAL 71 Ca 0.00 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1m12 h VAL 71 Cb 0.48 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1m12 h VAL 71 CO 0.00 0.07 -0.17 0.00 0.02 0.00 0.00 177.57 177.49 1m12 h SER 73 N 0.00 0.84 -0.22 0.00 0.02 -1.56 -3.08 113.55 109.55 1m12 h SER 73 Ca -0.00 -0.77 -0.20 0.00 -0.84 0.00 0.00 61.79 59.99 1m12 h SER 73 Cb 0.35 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.63 1m12 h SER 73 CO 0.02 1.57 -0.63 0.24 -1.14 0.00 0.00 176.83 176.89 1m12 h MET 74 N 0.27 0.81 -0.42 3.45 2.86 -0.59 -3.06 114.93 118.25 1m12 h MET 74 Ca -0.18 -0.58 0.00 0.00 -2.06 0.00 0.00 59.70 56.88 1m12 h MET 74 Cb 1.89 0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.65 1m12 h MET 74 CO 0.23 1.20 0.00 1.28 1.06 0.00 0.00 176.91 180.68 1m12 n LEU 75 N -4.01 0.42 -1.20 1.22 4.77 -0.86 -4.75 117.00 112.58 1m12 n LEU 75 Ca -0.06 -0.21 -0.07 0.00 -0.03 0.00 0.00 56.01 55.63 1m12 n LEU 75 Cb 0.67 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1m12 n LEU 75 CO 0.51 0.11 -0.07 1.41 -1.33 0.00 0.00 177.39 178.02 1m12 n HIS 76 N -0.03 -0.64 0.84 -1.77 8.25 -1.16 -4.70 115.22 116.01 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 0.11 -1.87 0.53 0.00 1.12 0.00 0.00 29.99 29.88 1m12 n HIS 76 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1m12 n LEU 77 N -1.47 0.25 -3.57 2.41 7.94 -1.17 -4.22 117.00 117.16 1m12 n LEU 77 Ca -0.07 0.53 -0.27 0.00 -1.11 0.00 0.00 56.01 55.08 1m12 n LEU 77 Cb 0.24 -0.45 -0.10 0.00 0.53 0.00 0.00 43.42 43.64 1m12 n LEU 77 CO 0.11 -0.09 -0.13 0.00 -1.11 0.00 0.00 177.39 176.17 1m12 n SER 79 N 1.93 0.00 -3.58 0.00 7.64 -1.26 -4.93 113.62 113.42 1m12 n SER 79 Ca 0.25 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1m12 n SER 79 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1m12 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1m12 n GLY 80 N 0.00 -1.60 3.03 0.23 0.00 -1.26 -4.62 105.19 100.97 1m12 n GLY 80 Ca 0.00 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 1m12 n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1m12 n LEU 81 N 0.00 3.77 -3.67 0.99 4.77 -1.26 -4.72 117.00 116.87 1m12 n LEU 81 Ca 0.00 -2.66 -0.30 0.00 -0.03 0.00 0.00 56.01 53.02 1m12 n LEU 81 Cb 0.00 -1.02 -0.14 0.00 -2.33 0.00 0.00 43.42 39.93 1m12 n LEU 81 CO 0.00 -0.36 -0.31 0.68 -1.33 0.00 0.00 177.39 176.07 1m12 s VAL 82 N 4.86 0.76 -1.97 4.08 -7.23 -1.26 -4.96 120.40 114.68 1m12 s VAL 82 Ca 0.52 -1.56 0.07 0.00 -1.81 0.00 0.00 61.98 59.20 1m12 s VAL 82 Cb 0.13 -1.57 0.20 0.00 0.56 0.00 0.00 36.38 35.70 1m12 s VAL 82 CO 0.10 -0.76 0.90 -0.81 -0.31 0.00 0.00 175.10 174.23 1m12 n PRO 83 N 4.57 0.22 -0.23 4.82 -0.05 -1.26 -5.01 135.00 138.07 1m12 n PRO 83 Ca 0.01 0.01 0.00 0.00 -0.05 0.00 0.00 63.50 63.47 1m12 n PRO 83 Cb 0.40 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.35 1m12 n PRO 83 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 175.50 173.32