#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 5.47 0.28 4.04 2.15 -1.26 -4.83 116.67 122.52 1m12 s ASP 2 Ca 0.00 0.54 0.21 0.00 0.43 0.00 0.00 52.55 53.74 1m12 s ASP 2 Cb 0.00 -2.53 1.04 0.00 -0.30 0.00 0.00 42.92 41.13 1m12 s ASP 2 CO 0.00 -2.18 1.65 1.33 -0.17 0.00 0.00 175.17 175.80 1m12 n VAL 3 N 7.23 0.99 -0.03 1.11 0.24 -1.26 -3.25 118.33 123.36 1m12 n VAL 3 Ca 0.20 0.51 -0.13 0.00 -2.04 0.00 0.00 64.34 62.88 1m12 n VAL 3 Cb 0.51 -1.47 -0.11 0.00 -1.47 0.00 0.00 33.84 31.29 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 -0.01 -0.76 6.34 0.05 -1.94 -3.05 116.97 117.61 1m12 h TYR 4 Ca 0.00 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.86 1m12 h TYR 4 Cb 0.16 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 37.83 1m12 h TYR 4 CO 0.00 0.67 0.42 0.00 -1.05 0.00 0.00 178.16 178.20 1m12 h GLU 6 N 0.73 0.94 -0.26 0.00 4.57 -1.64 -2.41 114.58 116.52 1m12 h GLU 6 Ca 0.36 -0.06 -0.19 0.00 -1.18 0.00 0.00 59.36 58.29 1m12 h GLU 6 Cb 0.30 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1m12 h GLU 6 CO -0.23 0.62 -0.60 0.28 -1.18 0.00 0.00 179.01 177.91 1m12 h VAL 7 N 0.97 1.27 -0.64 0.32 2.07 -1.11 -2.42 116.25 116.71 1m12 h VAL 7 Ca 0.43 -1.78 0.01 0.00 0.82 0.00 0.00 66.70 66.17 1m12 h VAL 7 Cb 0.31 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1m12 h VAL 7 CO -0.22 0.58 0.42 0.00 0.02 0.00 0.00 177.57 178.37 1m12 h GLU 9 N 0.86 0.03 -0.10 0.00 5.08 -1.45 -1.64 114.58 117.36 1m12 h GLU 9 Ca 0.24 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1m12 h GLU 9 Cb -0.08 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1m12 h GLU 9 CO -0.06 0.44 -0.06 0.35 -1.00 0.00 0.00 179.01 178.69 1m12 h PHE 10 N 0.03 0.25 -0.58 4.33 3.57 -0.69 -1.02 116.94 122.82 1m12 h PHE 10 Ca -0.00 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1m12 h PHE 10 Cb 0.74 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 1m12 h PHE 10 CO 0.00 0.58 0.30 -0.07 -2.23 0.00 0.00 178.31 176.90 1m12 h LEU 11 N -0.16 0.74 -0.39 0.59 3.38 -1.03 -1.53 115.31 116.92 1m12 h LEU 11 Ca 0.02 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1m12 h LEU 11 Cb 0.52 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1m12 h LEU 11 CO 0.02 0.64 0.23 0.58 0.09 0.00 0.00 178.44 180.00 1m12 h VAL 12 N 0.79 1.06 -0.70 1.22 2.07 -1.25 0.17 116.25 119.60 1m12 h VAL 12 Ca 0.20 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.60 1m12 h VAL 12 Cb 0.08 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1m12 h VAL 12 CO -0.03 0.09 0.43 0.50 0.02 0.00 0.00 177.57 178.57 1m12 h LYS 13 N 0.48 0.79 -0.19 1.57 1.63 -0.78 -1.46 116.57 118.61 1m12 h LYS 13 Ca 0.15 -0.05 -0.20 0.00 -0.85 0.00 0.00 60.65 59.71 1m12 h LYS 13 Cb -0.01 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.44 1m12 h LYS 13 CO -0.06 0.52 -0.66 0.93 -3.45 0.00 0.00 179.45 176.73 1m12 h GLU 14 N 0.81 0.71 -0.55 1.90 5.08 -0.77 -3.08 114.58 118.68 1m12 h GLU 14 Ca 0.30 -0.52 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 1m12 h GLU 14 Cb 0.09 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1m12 h GLU 14 CO -0.14 1.14 0.05 0.28 -1.00 0.00 0.00 179.01 179.33 1m12 h VAL 15 N 0.51 1.26 -0.72 3.13 2.07 -0.24 -2.37 116.25 119.90 1m12 h VAL 15 Ca -0.02 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 1m12 h VAL 15 Cb 1.26 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1m12 h VAL 15 CO 0.13 0.37 0.18 0.71 0.02 0.00 0.00 177.57 178.99 1m12 h THR 16 N 0.82 1.26 -0.27 2.57 1.35 -1.29 0.48 112.91 117.84 1m12 h THR 16 Ca 0.16 -0.97 -0.02 0.00 -0.55 0.00 0.00 66.41 65.03 1m12 h THR 16 Cb 0.47 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 67.39 1m12 h THR 16 CO 0.02 0.37 0.06 0.50 -0.25 0.00 0.00 175.52 176.23 1m12 h LYS 17 N 1.08 0.38 -0.18 4.72 3.64 -1.44 0.90 116.57 125.67 1m12 h LYS 17 Ca 0.23 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.38 1m12 h LYS 17 Cb 0.36 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1m12 h LYS 17 CO 0.00 0.36 -0.59 -0.07 -2.27 0.00 0.00 179.45 176.88 1m12 h LEU 18 N 0.38 0.67 -0.73 5.20 3.38 -0.68 0.14 115.31 123.67 1m12 h LEU 18 Ca 0.09 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 1m12 h LEU 18 Cb 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1m12 h LEU 18 CO -0.00 1.11 -0.54 0.40 0.09 0.00 0.00 178.44 179.49 1m12 h ILE 19 N 0.44 1.36 0.00 1.22 2.04 0.16 -2.66 117.51 120.07 1m12 h ILE 19 Ca -0.00 -1.83 -0.07 0.00 1.00 0.00 0.00 64.86 63.96 1m12 h ILE 19 Cb 1.15 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 1m12 h ILE 19 CO 0.11 0.54 -0.33 0.44 0.00 0.00 0.00 178.15 178.91 1m12 h ASP 20 N 0.21 0.00 -0.05 1.72 3.32 0.11 -3.02 116.42 118.71 1m12 h ASP 20 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1m12 h ASP 20 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1m12 h ASP 20 CO 0.09 0.33 0.00 -3.20 -1.72 0.00 0.00 179.24 174.74 1m12 n ASN 21 N -3.29 1.24 -0.66 6.45 5.15 0.45 -4.94 115.26 119.66 1m12 n ASN 21 Ca 0.01 -1.48 -0.01 0.00 -0.60 0.00 0.00 54.58 52.50 1m12 n ASN 21 Cb 0.58 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 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 -0.01 -2.13 -4.91 1.20 3.02 -1.14 -5.07 115.26 106.22 1m12 n ASN 22 Ca 0.19 -0.02 -0.30 0.00 -0.03 0.00 0.00 54.58 54.42 1m12 n ASN 22 Cb 0.30 -0.65 -0.04 0.00 -0.61 0.00 0.00 39.78 38.77 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 3.57 0.71 3.52 1.02 -1.09 -5.07 119.74 117.48 1m12 s LYS 23 Ca 0.02 -0.20 -0.11 0.00 0.02 0.00 0.00 55.97 55.70 1m12 s LYS 23 Cb -0.01 -2.86 0.01 0.00 -0.52 0.00 0.00 37.83 34.46 1m12 s LYS 23 CO 0.02 0.45 1.09 0.95 -0.92 0.00 0.00 175.35 176.95 1m12 s THR 24 N -1.73 3.53 0.20 2.17 -4.23 -1.26 -4.84 115.64 109.49 1m12 s THR 24 Ca 0.40 0.50 -0.10 0.00 -1.18 0.00 0.00 61.69 61.31 1m12 s THR 24 Cb -0.12 -3.47 0.13 0.00 1.34 0.00 0.00 72.50 70.38 1m12 s THR 24 CO 0.27 -0.65 1.79 -0.08 -0.54 0.00 0.00 174.62 175.41 1m12 h GLU 25 N -0.66 0.60 -0.57 3.99 4.22 -2.00 -0.53 114.58 119.62 1m12 h GLU 25 Ca -0.45 -0.04 0.11 0.00 0.08 0.00 0.00 59.36 59.07 1m12 h GLU 25 Cb 1.25 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1m12 h GLU 25 CO 0.63 0.39 0.39 -0.22 -2.18 0.00 0.00 179.01 178.02 1m12 h LYS 26 N 0.61 0.27 0.03 1.92 1.63 -2.00 -1.61 116.57 117.42 1m12 h LYS 26 Ca 0.29 -0.02 -0.24 0.00 -0.85 0.00 0.00 60.65 59.83 1m12 h LYS 26 Cb 0.21 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1m12 h LYS 26 CO -0.20 0.18 -1.01 0.93 -3.45 0.00 0.00 179.45 175.90 1m12 h GLU 27 N 0.28 0.43 -0.65 1.90 5.08 -1.46 -2.27 114.58 117.88 1m12 h GLU 27 Ca 0.27 -0.50 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 1m12 h GLU 27 Cb 0.68 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 1m12 h GLU 27 CO -0.06 1.16 0.11 0.82 -1.00 0.00 0.00 179.01 180.04 1m12 h ILE 28 N 0.23 1.26 0.00 3.13 2.04 -0.88 0.00 117.51 123.29 1m12 h ILE 28 Ca -0.10 -1.02 -0.13 0.00 1.00 0.00 0.00 64.86 64.61 1m12 h ILE 28 Cb 1.66 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1m12 h ILE 28 CO 0.18 0.38 -0.63 -0.07 0.00 0.00 0.00 178.15 178.01 1m12 h LEU 29 N 1.00 0.00 -0.19 1.44 3.38 -1.49 -2.39 115.31 117.07 1m12 h LEU 29 Ca 0.20 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1m12 h LEU 29 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1m12 h LEU 29 CO 0.01 0.63 -0.13 -0.78 0.09 0.00 0.00 178.44 178.26 1m12 h ASP 30 N 0.00 0.44 0.48 -0.43 3.58 -0.78 -3.04 116.42 116.67 1m12 h ASP 30 Ca -0.01 -0.44 -0.05 0.00 0.42 0.00 0.00 57.03 56.95 1m12 h ASP 30 Cb 1.16 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 1m12 h ASP 30 CO 0.08 0.79 -0.25 0.00 -2.88 0.00 0.00 179.24 176.98 1m12 h ALA 31 N 0.67 1.27 0.00 -0.78 0.00 -0.94 -2.54 119.26 116.94 1m12 h ALA 31 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1m12 h ALA 31 Cb 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1m12 h ALA 31 CO 0.04 0.31 0.27 1.19 0.00 0.00 0.00 179.25 181.06 1m12 n PHE 32 N -3.78 0.14 0.19 0.00 3.01 -0.91 0.44 117.46 116.56 1m12 n PHE 32 Ca -0.01 0.08 0.12 0.00 1.01 0.00 0.00 57.45 58.64 1m12 n PHE 32 Cb 0.35 -0.39 0.12 0.00 -0.01 0.00 0.00 39.48 39.55 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 -1.62 -3.35 116.42 119.40 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 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1m12 h ASP 33 CO 0.00 0.00 -0.02 2.29 -2.88 0.00 0.00 179.24 178.63 1m12 n LYS 34 N -2.96 1.88 0.02 0.28 2.85 0.17 -4.76 118.16 115.64 1m12 n LYS 34 Ca 0.03 -1.25 -0.21 0.00 -1.05 0.00 0.00 58.31 55.83 1m12 n LYS 34 Cb 0.53 -0.86 -0.14 0.00 -0.65 0.00 0.00 35.03 33.91 1m12 n LYS 34 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 177.40 177.87 1m12 h MET 35 N 0.00 0.27 0.00 -1.58 2.86 -1.51 -3.06 114.93 111.91 1m12 h MET 35 Ca 0.00 -0.46 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 1m12 h MET 35 Cb 0.71 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1m12 h MET 35 CO 0.00 1.22 0.00 0.00 1.06 0.00 0.00 176.91 179.19 1m12 n SER 37 N -1.34 1.46 -0.01 0.00 2.88 -1.16 -3.39 113.62 112.06 1m12 n SER 37 Ca 0.02 -2.11 0.00 0.00 -1.33 0.00 0.00 58.87 55.45 1m12 n SER 37 Cb 0.04 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 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 0.04 -0.17 -4.40 -1.46 5.02 -0.16 -5.02 118.16 112.01 1m12 n LYS 38 Ca 0.05 -0.72 -0.33 0.00 -2.02 0.00 0.00 58.31 55.30 1m12 n LYS 38 Cb 0.31 -1.01 -0.10 0.00 -0.02 0.00 0.00 35.03 34.22 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 -0.22 3.34 0.93 -0.35 1.43 -1.22 -5.09 118.68 117.50 1m12 s LEU 39 Ca 0.00 -0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 52.90 1m12 s LEU 39 Cb 0.00 -1.88 -0.07 0.00 0.03 0.00 0.00 46.19 44.27 1m12 s LEU 39 CO 0.00 0.30 -0.21 -2.65 0.23 0.00 0.00 176.35 174.02 1m12 n PRO 40 N 1.62 -0.08 0.23 1.29 -0.02 -1.26 -4.74 135.00 132.04 1m12 n PRO 40 Ca -0.16 -0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.48 1m12 n PRO 40 Cb 0.53 -1.38 0.79 0.00 -0.02 0.00 0.00 33.50 33.41 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 -1.08 0.00 0.00 -0.52 3.64 -1.98 -2.79 116.57 113.84 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 0.30 0.00 0.00 0.45 -2.27 0.00 0.00 179.45 177.93 1m12 n SER 42 N -2.66 0.67 -0.24 4.20 2.88 -1.26 -2.62 113.62 114.59 1m12 n SER 42 Ca -0.01 0.66 0.03 0.00 -1.33 0.00 0.00 58.87 58.22 1m12 n SER 42 Cb 0.13 -0.80 0.02 0.00 -0.75 0.00 0.00 64.21 62.81 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 -2.24 1.46 0.00 2.46 4.77 -1.05 -4.81 117.00 117.59 1m12 n LEU 43 Ca 0.02 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1m12 n LEU 43 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1m12 n LEU 43 CO 0.21 0.30 0.36 -0.24 -1.33 0.00 0.00 177.39 176.69 1m12 n SER 44 N 0.29 0.00 -0.01 -1.43 2.88 -1.08 -2.74 113.62 111.54 1m12 n SER 44 Ca 0.04 0.72 -0.09 0.00 -1.33 0.00 0.00 58.87 58.21 1m12 n SER 44 Cb 0.15 -0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 63.29 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 -0.28 -0.13 -1.46 4.39 -1.87 -1.59 114.58 113.64 1m12 h GLU 45 Ca 0.00 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.76 1m12 h GLU 45 Cb 0.00 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1m12 h GLU 45 CO 0.00 -0.19 0.27 1.05 -1.16 0.00 0.00 179.01 178.99 1m12 h GLU 46 N -0.29 0.00 0.15 2.33 4.11 -1.89 0.79 114.58 119.78 1m12 h GLU 46 Ca 0.11 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.32 1m12 h GLU 46 Cb 0.45 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.72 1m12 h GLU 46 CO -0.32 0.00 -0.93 0.00 0.07 0.00 0.00 179.01 177.84 1m12 h GLN 48 N -0.23 0.64 -0.46 0.00 4.20 -0.58 0.39 115.11 119.07 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 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.34 1m12 h GLN 48 CO 0.17 0.42 -0.24 0.93 -0.67 0.00 0.00 178.83 179.45 1m12 h GLU 49 N 0.66 0.97 0.13 1.46 5.08 -1.52 -0.46 114.58 120.90 1m12 h GLU 49 Ca 0.45 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1m12 h GLU 49 Cb 0.59 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1m12 h GLU 49 CO -0.34 1.09 -0.06 0.28 -1.00 0.00 0.00 179.01 178.98 1m12 h VAL 50 N 0.83 1.04 0.41 3.13 2.07 -0.94 -1.36 116.25 121.43 1m12 h VAL 50 Ca 0.10 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1m12 h VAL 50 Cb 0.81 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1m12 h VAL 50 CO 0.07 0.22 -0.20 0.58 0.02 0.00 0.00 177.57 178.27 1m12 h VAL 51 N -0.67 0.60 -0.69 2.57 2.07 -0.31 0.86 116.25 120.68 1m12 h VAL 51 Ca -0.02 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1m12 h VAL 51 Cb 0.50 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 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 -0.57 0.94 0.17 0.57 5.19 -1.17 0.19 116.42 121.73 1m12 h ASP 52 Ca -0.06 -0.17 -0.36 0.00 -0.62 0.00 0.00 57.03 55.83 1m12 h ASP 52 Cb 0.44 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.70 1m12 h ASP 52 CO 0.09 0.85 -1.86 0.74 -3.12 0.00 0.00 179.24 175.94 1m12 h THR 53 N 0.97 0.80 -0.48 0.35 2.02 -1.22 -3.38 112.91 111.96 1m12 h THR 53 Ca 0.23 -2.44 -0.26 0.00 0.77 0.00 0.00 66.41 64.71 1m12 h THR 53 Cb 0.20 2.65 -0.15 0.00 -1.74 0.00 0.00 68.15 69.10 1m12 h THR 53 CO -0.02 0.88 0.04 -1.22 0.37 0.00 0.00 175.52 175.57 1m12 n TYR 54 N -3.54 1.51 -0.06 3.16 4.02 0.30 -4.74 117.16 117.81 1m12 n TYR 54 Ca -0.28 -1.71 -0.05 0.00 -0.01 0.00 0.00 57.90 55.85 1m12 n TYR 54 Cb 1.06 -0.59 -0.04 0.00 -0.02 0.00 0.00 39.34 39.75 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 1.05 0.00 2.00 2.72 0.00 -0.56 -2.64 103.07 105.64 1m12 h GLY 55 Ca 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.58 1m12 h GLY 55 CO 0.55 0.00 -0.26 1.76 0.00 0.00 0.00 176.54 178.59 1m12 h SER 56 N -1.00 0.00 -0.01 0.19 0.02 -1.85 -2.50 113.55 108.40 1m12 h SER 56 Ca -0.01 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1m12 h SER 56 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1m12 h SER 56 CO -0.00 0.26 -0.25 0.77 -1.14 0.00 0.00 176.83 176.47 1m12 h SER 57 N 0.00 0.23 0.16 3.07 4.64 -1.87 -0.34 113.55 119.44 1m12 h SER 57 Ca -0.00 -0.76 0.01 0.00 -0.47 0.00 0.00 61.79 60.56 1m12 h SER 57 Cb 0.47 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 1m12 h SER 57 CO 0.03 0.96 -0.23 0.40 -0.87 0.00 0.00 176.83 177.12 1m12 h ILE 58 N -0.48 0.49 0.00 0.95 2.04 -1.43 -0.43 117.51 118.65 1m12 h ILE 58 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1m12 h ILE 58 Cb 1.00 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1m12 h ILE 58 CO 0.05 0.00 -0.03 0.25 0.00 0.00 0.00 178.15 178.42 1m12 h LEU 59 N -0.46 0.00 0.12 1.44 5.85 -1.52 -2.21 115.31 118.52 1m12 h LEU 59 Ca 0.02 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.46 1m12 h LEU 59 Cb 0.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1m12 h LEU 59 CO -0.10 0.03 -1.25 -1.28 -0.34 0.00 0.00 178.44 175.51 1m12 h SER 60 N 0.00 0.39 -0.04 1.25 0.87 0.51 -3.27 113.55 113.25 1m12 h SER 60 Ca -0.00 -0.42 -0.02 0.00 -1.23 0.00 0.00 61.79 60.12 1m12 h SER 60 Cb 0.08 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1m12 h SER 60 CO 0.00 1.33 -0.04 0.40 -0.53 0.00 0.00 176.83 177.99 1m12 h ILE 61 N 0.07 1.38 -0.75 2.23 2.04 -0.63 -3.10 117.51 118.74 1m12 h ILE 61 Ca -0.13 -1.21 0.14 0.00 1.00 0.00 0.00 64.86 64.65 1m12 h ILE 61 Cb 1.96 2.10 -0.05 0.00 -0.74 0.00 0.00 36.82 40.09 1m12 h ILE 61 CO 0.19 0.33 0.50 0.25 0.00 0.00 0.00 178.15 179.42 1m12 h LEU 62 N -0.36 0.44 -0.89 1.44 6.46 -1.56 0.65 115.31 121.50 1m12 h LEU 62 Ca 0.01 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1m12 h LEU 62 Cb 0.55 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1m12 h LEU 62 CO 0.01 0.24 0.00 -0.07 -0.62 0.00 0.00 178.44 178.00 1m12 h LEU 63 N 0.47 0.00 -2.93 2.25 3.38 -1.59 -2.88 115.31 114.02 1m12 h LEU 63 Ca 0.37 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.16 1m12 h LEU 63 Cb 0.76 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.42 1m12 h LEU 63 CO -0.12 0.00 0.23 1.21 0.09 0.00 0.00 178.44 179.85 1m12 n GLU 64 N -2.64 1.44 -2.75 1.13 4.07 0.23 -4.81 120.64 117.31 1m12 n GLU 64 Ca 0.02 -0.95 -0.10 0.00 -0.06 0.00 0.00 57.16 56.07 1m12 n GLU 64 Cb 0.30 -1.37 -0.01 0.00 -0.06 0.00 0.00 31.44 30.30 1m12 n GLU 64 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1m12 n GLU 65 N 0.35 -2.65 -3.46 5.31 -0.58 -1.09 -4.92 120.64 113.61 1m12 n GLU 65 Ca 0.19 0.26 -0.35 0.00 -0.42 0.00 0.00 57.16 56.84 1m12 n GLU 65 Cb 0.72 -4.83 -0.06 0.00 -0.57 0.00 0.00 31.44 26.70 1m12 n GLU 65 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1m12 s VAL 66 N -2.41 4.97 0.62 2.62 1.01 -1.25 -5.04 120.40 120.93 1m12 s VAL 66 Ca 0.12 0.66 -0.17 0.00 0.00 0.00 0.00 61.98 62.59 1m12 s VAL 66 Cb -0.06 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 1m12 s VAL 66 CO 0.14 0.29 0.58 -1.20 0.00 0.00 0.00 175.10 174.92 1m12 n SER 67 N 0.93 -0.85 -0.18 3.32 7.64 -1.26 -4.77 113.62 118.46 1m12 n SER 67 Ca -0.07 0.70 -0.10 0.00 1.01 0.00 0.00 58.87 60.40 1m12 n SER 67 Cb 0.52 -1.22 0.01 0.00 -1.01 0.00 0.00 64.21 62.51 1m12 n SER 67 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1m12 h PRO 68 N 0.08 0.97 0.00 1.43 0.13 -1.97 -3.08 132.00 129.56 1m12 h PRO 68 Ca -0.46 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 1m12 h PRO 68 Cb 1.38 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1m12 h PRO 68 CO 0.46 1.03 0.00 1.05 -0.23 0.00 0.00 178.00 180.31 1m12 h GLU 69 N 0.83 0.00 0.00 0.86 4.11 -2.00 -2.78 114.58 115.61 1m12 h GLU 69 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1m12 h GLU 69 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1m12 h GLU 69 CO 0.05 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 179.06 1m12 h LEU 70 N 0.00 0.00 0.44 3.06 3.38 -1.89 -3.22 115.31 117.07 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 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1m12 h LEU 70 CO 0.00 0.00 -0.21 0.58 0.09 0.00 0.00 178.44 178.90 1m12 h VAL 71 N 0.00 0.50 0.00 1.22 2.07 -1.57 -0.09 116.25 118.38 1m12 h VAL 71 Ca 0.00 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 1m12 h VAL 71 Cb 0.50 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1m12 h VAL 71 CO 0.00 0.07 -0.23 0.00 0.02 0.00 0.00 177.57 177.43 1m12 h SER 73 N 0.00 0.73 -0.20 0.00 0.02 -1.56 -3.07 113.55 109.47 1m12 h SER 73 Ca -0.00 -0.58 -0.20 0.00 -0.84 0.00 0.00 61.79 60.17 1m12 h SER 73 Cb 0.48 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.80 1m12 h SER 73 CO 0.03 1.37 -0.67 0.24 -1.14 0.00 0.00 176.83 176.67 1m12 h MET 74 N 0.33 0.81 -0.56 3.45 2.86 -0.79 -3.09 114.93 117.94 1m12 h MET 74 Ca -0.10 -0.60 0.00 0.00 -2.06 0.00 0.00 59.70 56.94 1m12 h MET 74 Cb 1.61 0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.38 1m12 h MET 74 CO 0.18 1.22 0.00 1.28 1.06 0.00 0.00 176.91 180.65 1m12 n LEU 75 N -3.99 0.56 -1.47 1.22 4.77 -0.96 -4.74 117.00 112.38 1m12 n LEU 75 Ca -0.06 -0.28 -0.07 0.00 -0.03 0.00 0.00 56.01 55.57 1m12 n LEU 75 Cb 0.69 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 1m12 n LEU 75 CO 0.51 0.14 -0.07 0.00 -1.33 0.00 0.00 177.39 176.64 1m12 n HIS 76 N 0.20 -0.88 0.96 -1.77 1.44 -1.17 -4.71 115.22 109.29 1m12 n HIS 76 Ca 0.00 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 1m12 n HIS 76 Cb 0.14 -1.87 0.41 0.00 0.12 0.00 0.00 29.99 28.80 1m12 n HIS 76 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1m12 n LEU 77 N -1.72 0.31 -3.77 2.39 4.77 -1.18 -4.54 117.00 113.26 1m12 n LEU 77 Ca -0.07 0.26 -0.30 0.00 -0.03 0.00 0.00 56.01 55.87 1m12 n LEU 77 Cb 0.30 -0.36 -0.15 0.00 -2.33 0.00 0.00 43.42 40.88 1m12 n LEU 77 CO 0.10 0.05 -0.32 0.00 -1.33 0.00 0.00 177.39 175.89 1m12 s SER 79 N 1.30 1.78 -1.62 0.00 0.15 -1.26 -4.81 113.70 109.24 1m12 s SER 79 Ca 0.11 0.44 -0.10 0.00 0.70 0.00 0.00 55.95 57.10 1m12 s SER 79 Cb -0.19 -0.57 -0.08 0.00 -1.71 0.00 0.00 66.02 63.47 1m12 s SER 79 CO -0.18 -3.57 2.94 0.61 1.20 0.00 0.00 173.24 174.23 1m12 n GLY 80 N -2.19 4.28 1.60 9.45 0.00 -1.26 -4.57 105.19 112.51 1m12 n GLY 80 Ca 0.15 -1.52 -0.08 0.00 0.00 0.00 0.00 46.02 44.57 1m12 n GLY 80 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1m12 n LEU 81 N 3.55 5.41 -3.63 0.99 0.00 -1.26 -4.95 117.00 117.11 1m12 n LEU 81 Ca 0.78 -2.65 -0.33 0.00 0.00 0.00 0.00 56.01 53.81 1m12 n LEU 81 Cb 0.23 -0.96 0.01 0.00 0.00 0.00 0.00 43.42 42.70 1m12 n LEU 81 CO 0.85 1.00 -0.64 1.33 0.00 0.00 0.00 177.39 179.93 1m12 n VAL 82 N 0.71 0.00 -1.31 1.96 0.24 -1.26 -4.50 118.33 114.16 1m12 n VAL 82 Ca 0.15 -0.43 -0.57 0.00 -2.04 0.00 0.00 64.34 61.45 1m12 n VAL 82 Cb 0.60 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.86 1m12 n VAL 82 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1m12 n PRO 83 N 1.42 0.25 0.00 7.34 -0.02 -1.26 -5.20 135.00 137.53 1m12 n PRO 83 Ca 0.06 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1m12 n PRO 83 Cb 0.42 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1m12 n PRO 83 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37