#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 5.51 0.16 4.04 2.15 -1.26 -4.82 116.67 122.45 1m12 s ASP 2 Ca 0.00 0.21 0.11 0.00 0.43 0.00 0.00 52.55 53.30 1m12 s ASP 2 Cb 0.00 -2.54 0.59 0.00 -0.30 0.00 0.00 42.92 40.68 1m12 s ASP 2 CO 0.00 -2.21 1.33 1.33 -0.17 0.00 0.00 175.17 175.45 1m12 n VAL 3 N 7.03 1.49 -0.03 1.11 0.24 -1.26 -2.67 118.33 124.25 1m12 n VAL 3 Ca 0.17 0.62 -0.15 0.00 -2.04 0.00 0.00 64.34 62.94 1m12 n VAL 3 Cb 0.51 -1.62 -0.10 0.00 -1.47 0.00 0.00 33.84 31.16 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 0.34 -0.89 6.34 0.05 -1.92 -2.89 116.97 117.99 1m12 h TYR 4 Ca 0.00 -0.15 0.09 0.00 0.05 0.00 0.00 58.73 58.72 1m12 h TYR 4 Cb 0.01 -0.05 -0.07 0.00 1.01 0.00 0.00 36.73 37.63 1m12 h TYR 4 CO 0.00 0.88 0.54 0.00 -1.05 0.00 0.00 178.16 178.54 1m12 h GLU 6 N 0.93 0.85 -0.27 0.00 4.81 -1.63 -2.43 114.58 116.83 1m12 h GLU 6 Ca 0.42 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.41 1m12 h GLU 6 Cb 0.32 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1m12 h GLU 6 CO -0.22 0.56 -0.54 0.28 -0.73 0.00 0.00 179.01 178.36 1m12 h VAL 7 N 0.88 1.28 -0.39 0.32 2.07 -1.05 -2.25 116.25 117.11 1m12 h VAL 7 Ca 0.25 -1.73 0.03 0.00 0.82 0.00 0.00 66.70 66.08 1m12 h VAL 7 Cb -0.06 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1m12 h VAL 7 CO -0.07 0.56 0.19 0.00 0.02 0.00 0.00 177.57 178.27 1m12 h GLU 9 N 0.39 0.00 -0.09 0.00 4.39 -1.46 -1.29 114.58 116.52 1m12 h GLU 9 Ca 0.16 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 1m12 h GLU 9 Cb 0.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1m12 h GLU 9 CO -0.12 0.42 -0.07 0.35 -1.16 0.00 0.00 179.01 178.43 1m12 h PHE 10 N 0.00 0.25 -0.39 4.33 3.57 -0.62 0.11 116.94 124.18 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 0.77 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 1m12 h PHE 10 CO 0.00 0.61 0.17 -0.07 -2.23 0.00 0.00 178.31 176.80 1m12 h LEU 11 N -0.19 0.53 -0.12 0.59 3.38 -1.05 0.17 115.31 118.62 1m12 h LEU 11 Ca 0.02 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1m12 h LEU 11 Cb 0.56 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1m12 h LEU 11 CO 0.02 0.53 0.04 0.58 0.09 0.00 0.00 178.44 179.70 1m12 h VAL 12 N 0.49 0.98 -0.50 1.22 2.07 -1.19 1.42 116.25 120.73 1m12 h VAL 12 Ca 0.13 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.64 1m12 h VAL 12 Cb 0.15 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1m12 h VAL 12 CO -0.01 0.02 0.31 0.50 0.02 0.00 0.00 177.57 178.40 1m12 h LYS 13 N 0.10 0.60 -0.34 1.57 3.64 -0.51 0.15 116.57 121.78 1m12 h LYS 13 Ca 0.05 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 1m12 h LYS 13 Cb 0.03 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1m12 h LYS 13 CO -0.05 0.40 -0.39 1.49 -2.27 0.00 0.00 179.45 178.63 1m12 h GLU 14 N 0.62 0.81 -0.23 1.90 4.81 -0.11 -2.83 114.58 119.55 1m12 h GLU 14 Ca 0.20 -0.42 -0.08 0.00 -0.13 0.00 0.00 59.36 58.93 1m12 h GLU 14 Cb -0.01 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1m12 h GLU 14 CO -0.08 1.06 -0.15 0.28 -0.73 0.00 0.00 179.01 179.38 1m12 h VAL 15 N 0.67 1.31 -0.72 0.32 2.07 0.24 -2.65 116.25 117.49 1m12 h VAL 15 Ca 0.06 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1m12 h VAL 15 Cb 0.95 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1m12 h VAL 15 CO 0.09 0.39 0.36 0.71 0.02 0.00 0.00 177.57 179.14 1m12 h THR 16 N 0.22 1.22 -0.26 2.57 1.35 -0.71 0.30 112.91 117.61 1m12 h THR 16 Ca 0.05 -0.61 -0.03 0.00 -0.55 0.00 0.00 66.41 65.26 1m12 h THR 16 Cb 0.67 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 1m12 h THR 16 CO 0.04 0.26 0.02 0.50 -0.25 0.00 0.00 175.52 176.09 1m12 h LYS 17 N 1.01 0.38 -0.15 4.72 3.64 -1.44 0.83 116.57 125.57 1m12 h LYS 17 Ca 0.25 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.42 1m12 h LYS 17 Cb 0.08 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1m12 h LYS 17 CO -0.03 0.39 -0.54 -0.07 -2.27 0.00 0.00 179.45 176.92 1m12 h LEU 18 N 0.37 0.48 -0.66 5.20 3.38 -0.63 0.16 115.31 123.61 1m12 h LEU 18 Ca 0.09 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.66 1m12 h LEU 18 Cb 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1m12 h LEU 18 CO 0.00 0.93 -0.61 0.40 0.09 0.00 0.00 178.44 179.25 1m12 h ILE 19 N 0.33 1.40 0.00 1.22 2.04 0.14 -2.78 117.51 119.87 1m12 h ILE 19 Ca 0.01 -2.02 -0.08 0.00 1.00 0.00 0.00 64.86 63.77 1m12 h ILE 19 Cb 1.06 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 1m12 h ILE 19 CO 0.10 0.59 -0.37 0.44 0.00 0.00 0.00 178.15 178.91 1m12 h ASP 20 N 0.15 0.00 -0.08 1.72 3.32 0.11 -3.02 116.42 118.63 1m12 h ASP 20 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1m12 h ASP 20 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1m12 h ASP 20 CO 0.09 0.37 0.00 -3.20 -1.72 0.00 0.00 179.24 174.79 1m12 n ASN 21 N -3.30 1.15 -0.84 6.45 4.05 0.51 -4.93 115.26 118.35 1m12 n ASN 21 Ca 0.01 -1.53 -0.02 0.00 0.45 0.00 0.00 54.58 53.49 1m12 n ASN 21 Cb 0.61 -0.05 0.01 0.00 1.23 0.00 0.00 39.78 41.58 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 -0.05 -2.42 -4.90 1.20 5.03 -1.14 -5.06 115.26 107.91 1m12 n ASN 22 Ca 0.17 -0.06 -0.31 0.00 0.87 0.00 0.00 54.58 55.26 1m12 n ASN 22 Cb 0.27 -0.96 -0.04 0.00 -1.02 0.00 0.00 39.78 38.02 1m12 n ASN 22 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1m12 s LYS 23 N -5.08 3.61 0.68 3.52 1.02 -1.08 -5.07 119.74 117.34 1m12 s LYS 23 Ca 0.06 -0.11 -0.11 0.00 0.02 0.00 0.00 55.97 55.83 1m12 s LYS 23 Cb -0.02 -2.83 -0.00 0.00 -0.52 0.00 0.00 37.83 34.45 1m12 s LYS 23 CO 0.07 0.44 1.07 0.95 -0.92 0.00 0.00 175.35 176.96 1m12 s THR 24 N -1.72 3.97 0.21 2.17 -4.23 -1.26 -4.83 115.64 109.95 1m12 s THR 24 Ca 0.41 0.64 -0.08 0.00 -1.18 0.00 0.00 61.69 61.47 1m12 s THR 24 Cb -0.12 -3.58 0.16 0.00 1.34 0.00 0.00 72.50 70.29 1m12 s THR 24 CO 0.25 -0.83 1.76 -0.08 -0.54 0.00 0.00 174.62 175.18 1m12 h GLU 25 N -0.57 0.46 -0.59 3.99 4.81 -2.00 0.09 114.58 120.77 1m12 h GLU 25 Ca -0.45 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 58.88 1m12 h GLU 25 Cb 1.23 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1m12 h GLU 25 CO 0.62 0.31 0.40 -0.22 -0.73 0.00 0.00 179.01 179.39 1m12 h LYS 26 N 0.48 0.28 0.01 1.92 3.64 -2.00 -1.55 116.57 119.34 1m12 h LYS 26 Ca 0.32 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.46 1m12 h LYS 26 Cb 0.38 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1m12 h LYS 26 CO -0.29 0.18 -0.96 0.93 -2.27 0.00 0.00 179.45 177.04 1m12 h GLU 27 N 0.28 0.40 -0.66 1.90 5.08 -1.34 -2.39 114.58 117.85 1m12 h GLU 27 Ca 0.28 -0.44 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 1m12 h GLU 27 Cb 0.71 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1m12 h GLU 27 CO -0.06 1.11 0.09 0.82 -1.00 0.00 0.00 179.01 179.96 1m12 h ILE 28 N 0.22 1.26 0.00 3.13 2.04 -0.91 -0.82 117.51 122.43 1m12 h ILE 28 Ca -0.08 -1.07 -0.13 0.00 1.00 0.00 0.00 64.86 64.58 1m12 h ILE 28 Cb 1.60 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 1m12 h ILE 28 CO 0.16 0.40 -0.62 -0.07 0.00 0.00 0.00 178.15 178.03 1m12 h LEU 29 N 1.03 0.00 -0.21 1.44 3.38 -1.49 -2.65 115.31 116.82 1m12 h LEU 29 Ca 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 1m12 h LEU 29 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1m12 h LEU 29 CO 0.02 0.62 -0.13 -0.78 0.09 0.00 0.00 178.44 178.25 1m12 h ASP 30 N 0.00 0.48 0.54 -0.43 3.58 -0.91 -3.01 116.42 116.66 1m12 h ASP 30 Ca -0.01 -0.43 -0.03 0.00 0.42 0.00 0.00 57.03 56.98 1m12 h ASP 30 Cb 1.10 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.02 1m12 h ASP 30 CO 0.08 0.80 -0.16 0.00 -2.88 0.00 0.00 179.24 177.08 1m12 h ALA 31 N 0.69 1.19 0.00 -0.78 0.00 -1.09 -2.42 119.26 116.84 1m12 h ALA 31 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1m12 h ALA 31 Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1m12 h ALA 31 CO 0.04 0.20 0.16 1.19 0.00 0.00 0.00 179.25 180.84 1m12 n PHE 32 N -3.56 0.02 0.30 0.00 3.01 -1.01 -0.08 117.46 116.15 1m12 n PHE 32 Ca -0.01 0.01 0.12 0.00 1.01 0.00 0.00 57.45 58.58 1m12 n PHE 32 Cb 0.30 -0.36 0.16 0.00 -0.01 0.00 0.00 39.48 39.57 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 0.00 4.37 5.19 -1.61 -3.35 116.42 121.02 1m12 h ASP 33 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1m12 h ASP 33 Cb 0.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1m12 h ASP 33 CO 0.00 0.02 -0.04 2.29 -3.12 0.00 0.00 179.24 178.39 1m12 n LYS 34 N -2.71 1.15 0.08 3.56 2.85 0.88 -4.80 118.16 119.17 1m12 n LYS 34 Ca 0.03 -1.00 -0.22 0.00 -1.05 0.00 0.00 58.31 56.07 1m12 n LYS 34 Cb 0.51 -0.73 -0.15 0.00 -0.65 0.00 0.00 35.03 34.01 1m12 n LYS 34 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 1m12 h MET 35 N 0.00 0.41 0.00 -1.58 4.05 -1.35 -2.87 114.93 113.58 1m12 h MET 35 Ca 0.00 -0.67 0.00 0.00 -0.28 0.00 0.00 59.70 58.75 1m12 h MET 35 Cb 0.85 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.90 1m12 h MET 35 CO 0.00 1.32 0.00 0.00 0.23 0.00 0.00 176.91 178.46 1m12 n SER 37 N -1.08 0.00 -0.81 0.00 2.88 -1.08 -3.23 113.62 110.30 1m12 n SER 37 Ca 0.05 -0.04 0.12 0.00 -1.33 0.00 0.00 58.87 57.67 1m12 n SER 37 Cb 0.03 -0.32 0.11 0.00 -0.75 0.00 0.00 64.21 63.28 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 -1.32 2.00 -4.21 -1.46 4.01 -0.47 -4.91 118.16 111.80 1m12 n LYS 38 Ca 0.13 -1.63 -0.35 0.00 -0.51 0.00 0.00 58.31 55.95 1m12 n LYS 38 Cb 0.24 -1.47 -0.08 0.00 -0.51 0.00 0.00 35.03 33.22 1m12 n LYS 38 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1m12 s LEU 39 N -2.12 3.82 0.89 -0.35 1.43 -1.20 -5.07 118.68 116.08 1m12 s LEU 39 Ca 0.26 0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 53.41 1m12 s LEU 39 Cb 0.20 -1.97 -0.11 0.00 0.03 0.00 0.00 46.19 44.33 1m12 s LEU 39 CO 0.37 0.36 -0.38 -2.65 0.23 0.00 0.00 176.35 174.28 1m12 n PRO 40 N 1.88 -0.02 0.28 1.29 -0.02 -1.26 -4.70 135.00 132.45 1m12 n PRO 40 Ca -0.18 0.01 0.14 0.00 -2.02 0.00 0.00 63.50 61.45 1m12 n PRO 40 Cb 0.54 -1.21 0.81 0.00 -0.02 0.00 0.00 33.50 33.62 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 -0.88 0.00 0.00 -0.52 3.64 -1.97 -2.69 116.57 114.15 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 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1m12 h LYS 41 CO 0.30 0.07 0.00 0.43 -2.27 0.00 0.00 179.45 177.98 1m12 n SER 42 N -3.63 0.00 -0.13 4.20 7.64 -1.26 -2.46 113.62 117.98 1m12 n SER 42 Ca -0.02 0.15 0.03 0.00 1.01 0.00 0.00 58.87 60.04 1m12 n SER 42 Cb 0.19 -0.36 -0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1m12 n SER 42 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1m12 n LEU 43 N -1.36 0.90 -0.18 -3.43 7.94 -1.02 -4.76 117.00 115.09 1m12 n LEU 43 Ca 0.09 -0.74 -0.05 0.00 -1.11 0.00 0.00 56.01 54.20 1m12 n LEU 43 Cb 0.20 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.11 1m12 n LEU 43 CO 0.18 0.19 0.48 -0.24 -1.11 0.00 0.00 177.39 176.88 1m12 n SER 44 N -0.40 -0.46 0.16 1.96 2.88 -1.03 -3.28 113.62 113.44 1m12 n SER 44 Ca 0.02 1.31 -0.14 0.00 -1.33 0.00 0.00 58.87 58.73 1m12 n SER 44 Cb 0.13 -0.37 -0.07 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 -0.59 -0.02 -1.46 5.08 -1.86 -2.46 114.58 113.27 1m12 h GLU 45 Ca 0.07 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1m12 h GLU 45 Cb 0.18 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1m12 h GLU 45 CO -0.41 -0.39 0.22 1.05 -1.00 0.00 0.00 179.01 178.48 1m12 h GLU 46 N -0.61 0.00 0.17 2.33 4.11 -1.90 0.50 114.58 119.17 1m12 h GLU 46 Ca 0.01 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.20 1m12 h GLU 46 Cb 0.60 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.88 1m12 h GLU 46 CO -0.14 0.00 -1.08 0.00 0.07 0.00 0.00 179.01 177.86 1m12 h GLN 48 N -0.22 0.79 -0.43 0.00 4.15 -0.66 0.27 115.11 119.00 1m12 h GLN 48 Ca -0.20 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.04 1m12 h GLN 48 Cb 1.81 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 29.31 1m12 h GLN 48 CO 0.17 0.52 -0.26 0.93 -1.93 0.00 0.00 178.83 178.27 1m12 h GLU 49 N 0.81 0.94 0.12 1.69 3.07 -1.55 0.03 114.58 119.69 1m12 h GLU 49 Ca 0.49 -0.43 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1m12 h GLU 49 Cb 0.60 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1m12 h GLU 49 CO -0.31 1.09 -0.06 0.28 -1.40 0.00 0.00 179.01 178.61 1m12 h VAL 50 N 0.77 1.08 0.32 3.13 2.07 -1.05 -0.81 116.25 121.76 1m12 h VAL 50 Ca 0.09 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1m12 h VAL 50 Cb 0.84 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1m12 h VAL 50 CO 0.07 0.22 -0.16 0.58 0.02 0.00 0.00 177.57 178.30 1m12 h VAL 51 N -0.60 0.69 -0.57 2.57 2.07 -0.56 0.78 116.25 120.62 1m12 h VAL 51 Ca -0.02 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1m12 h VAL 51 Cb 0.47 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1m12 h VAL 51 CO 0.03 0.02 0.20 0.44 0.02 0.00 0.00 177.57 178.27 1m12 h ASP 52 N -0.48 0.82 0.17 0.57 5.19 -1.06 0.18 116.42 121.82 1m12 h ASP 52 Ca -0.04 -0.19 -0.35 0.00 -0.62 0.00 0.00 57.03 55.82 1m12 h ASP 52 Cb 0.36 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1m12 h ASP 52 CO 0.07 0.80 -1.79 0.74 -3.12 0.00 0.00 179.24 175.94 1m12 h THR 53 N 0.80 0.87 -0.52 0.35 2.02 -1.13 -3.38 112.91 111.93 1m12 h THR 53 Ca 0.19 -2.47 -0.29 0.00 0.77 0.00 0.00 66.41 64.61 1m12 h THR 53 Cb 0.26 2.70 -0.17 0.00 -1.74 0.00 0.00 68.15 69.20 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 1.63 -0.06 3.16 4.02 0.27 -4.73 117.16 117.85 1m12 n TYR 54 Ca -0.26 -1.78 -0.09 0.00 -0.01 0.00 0.00 57.90 55.75 1m12 n TYR 54 Cb 1.06 -0.61 -0.08 0.00 -0.02 0.00 0.00 39.34 39.69 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 1.14 0.00 2.00 2.72 0.00 -0.58 -2.76 103.07 105.59 1m12 h GLY 55 Ca 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.57 1m12 h GLY 55 CO 0.60 0.00 -0.39 1.76 0.00 0.00 0.00 176.54 178.50 1m12 h SER 56 N -1.00 0.00 -0.01 0.19 0.02 -1.85 -2.70 113.55 108.21 1m12 h SER 56 Ca -0.01 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 1m12 h SER 56 Cb 0.63 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.17 1m12 h SER 56 CO -0.01 0.39 -0.27 0.77 -1.14 0.00 0.00 176.83 176.57 1m12 h SER 57 N 0.00 0.25 0.37 3.07 4.64 -1.87 -0.79 113.55 119.22 1m12 h SER 57 Ca -0.00 -0.76 -0.01 0.00 -0.47 0.00 0.00 61.79 60.55 1m12 h SER 57 Cb 0.70 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 1m12 h SER 57 CO 0.05 0.98 -0.31 0.40 -0.87 0.00 0.00 176.83 177.07 1m12 h ILE 58 N -0.45 0.35 -0.04 0.95 2.04 -1.50 -0.54 117.51 118.32 1m12 h ILE 58 Ca -0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1m12 h ILE 58 Cb 1.01 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1m12 h ILE 58 CO 0.05 0.00 0.06 0.25 0.00 0.00 0.00 178.15 178.51 1m12 h LEU 59 N -0.69 0.00 0.14 1.44 5.85 -1.57 -1.98 115.31 118.50 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 0.61 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.65 1m12 h LEU 59 CO -0.02 0.00 -1.36 0.28 -0.34 0.00 0.00 178.44 176.99 1m12 h SER 60 N 0.00 0.47 -0.18 1.25 0.02 0.37 -3.34 113.55 112.15 1m12 h SER 60 Ca 0.02 -0.54 -0.06 0.00 -0.84 0.00 0.00 61.79 60.36 1m12 h SER 60 Cb 0.14 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 1m12 h SER 60 CO -0.00 1.43 -0.14 0.40 -1.14 0.00 0.00 176.83 177.38 1m12 h ILE 61 N 0.08 1.33 -1.04 3.27 2.04 -0.51 -3.12 117.51 119.56 1m12 h ILE 61 Ca -0.18 -1.27 0.27 0.00 1.00 0.00 0.00 64.86 64.68 1m12 h ILE 61 Cb 2.01 1.77 -0.08 0.00 -0.74 0.00 0.00 36.82 39.78 1m12 h ILE 61 CO 0.20 0.38 0.68 -0.07 0.00 0.00 0.00 178.15 179.34 1m12 h LEU 62 N 0.07 0.37 -0.28 1.44 3.38 -1.57 0.66 115.31 119.39 1m12 h LEU 62 Ca 0.03 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1m12 h LEU 62 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1m12 h LEU 62 CO 0.04 0.08 0.00 0.18 0.09 0.00 0.00 178.44 178.83 1m12 n LEU 63 N -4.55 0.69 -1.39 1.67 4.77 -1.18 -3.05 117.00 113.96 1m12 n LEU 63 Ca 0.24 0.61 -0.08 0.00 -0.03 0.00 0.00 56.01 56.75 1m12 n LEU 63 Cb 0.90 -0.44 0.06 0.00 -2.33 0.00 0.00 43.42 41.62 1m12 n LEU 63 CO 0.28 -0.32 0.75 -0.62 -1.33 0.00 0.00 177.39 176.15 1m12 n GLU 64 N -2.19 1.41 -2.55 3.23 1.02 0.23 -4.82 120.64 116.98 1m12 n GLU 64 Ca 0.04 -0.97 -0.11 0.00 -0.02 0.00 0.00 57.16 56.11 1m12 n GLU 64 Cb 0.34 -1.38 -0.00 0.00 -0.02 0.00 0.00 31.44 30.37 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 -0.03 -2.50 -3.40 3.49 -0.58 -1.17 -4.93 120.64 111.52 1m12 n GLU 65 Ca 0.19 0.45 -0.35 0.00 -0.42 0.00 0.00 57.16 57.04 1m12 n GLU 65 Cb 0.87 -5.04 -0.06 0.00 -0.57 0.00 0.00 31.44 26.64 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 -2.52 4.90 0.55 2.62 1.01 -1.26 -5.03 120.40 120.67 1m12 s VAL 66 Ca 0.04 0.74 -0.21 0.00 0.00 0.00 0.00 61.98 62.56 1m12 s VAL 66 Cb -0.02 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 1m12 s VAL 66 CO 0.05 0.23 1.05 -1.20 0.00 0.00 0.00 175.10 175.23 1m12 n SER 67 N 0.75 1.27 -0.28 3.32 7.64 -1.26 -4.81 113.62 120.25 1m12 n SER 67 Ca -0.05 0.90 -0.05 0.00 1.01 0.00 0.00 58.87 60.67 1m12 n SER 67 Cb 0.52 -1.42 0.08 0.00 -1.01 0.00 0.00 64.21 62.38 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 0.94 1.17 0.00 1.43 0.13 -1.97 -2.86 132.00 130.84 1m12 h PRO 68 Ca -0.48 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1m12 h PRO 68 Cb 1.34 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1m12 h PRO 68 CO 0.54 0.94 0.00 1.05 -0.23 0.00 0.00 178.00 180.30 1m12 h GLU 69 N 1.14 0.00 0.00 0.86 -0.00 -2.01 -2.75 114.58 111.82 1m12 h GLU 69 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.62 1m12 h GLU 69 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.96 1m12 h GLU 69 CO -0.02 0.00 0.00 -0.07 -0.00 0.00 0.00 179.01 178.92 1m12 h LEU 70 N 0.00 0.00 0.41 3.06 3.38 -1.87 -3.15 115.31 117.14 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 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 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 -1.57 0.68 116.25 119.19 1m12 h VAL 71 Ca 0.00 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1m12 h VAL 71 Cb 0.40 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1m12 h VAL 71 CO 0.00 0.07 -0.12 0.00 0.02 0.00 0.00 177.57 177.54 1m12 h SER 73 N 0.00 0.82 -0.21 0.00 0.87 -1.56 -2.47 113.55 111.00 1m12 h SER 73 Ca -0.00 -0.77 -0.19 0.00 -1.23 0.00 0.00 61.79 59.60 1m12 h SER 73 Cb 0.25 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1m12 h SER 73 CO 0.02 1.58 -0.62 0.24 -0.53 0.00 0.00 176.83 177.52 1m12 h MET 74 N 0.24 0.79 -0.36 2.24 2.86 -0.53 -2.96 114.93 117.22 1m12 h MET 74 Ca -0.19 -0.57 0.00 0.00 -2.06 0.00 0.00 59.70 56.88 1m12 h MET 74 Cb 1.93 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.69 1m12 h MET 74 CO 0.24 1.19 0.00 1.28 1.06 0.00 0.00 176.91 180.68 1m12 n LEU 75 N -4.03 0.36 -1.39 1.22 4.77 -0.74 -4.76 117.00 112.44 1m12 n LEU 75 Ca -0.06 -0.18 -0.08 0.00 -0.03 0.00 0.00 56.01 55.66 1m12 n LEU 75 Cb 0.66 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1m12 n LEU 75 CO 0.51 0.09 -0.08 1.41 -1.33 0.00 0.00 177.39 177.98 1m12 n HIS 76 N -0.12 -0.73 0.65 -1.77 8.25 -1.12 -4.71 115.22 115.67 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 -2.01 0.35 0.00 1.12 0.00 0.00 29.99 29.54 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 -1.69 0.72 -4.48 2.41 7.94 -1.09 -4.87 117.00 115.94 1m12 n LEU 77 Ca -0.08 0.45 -0.23 0.00 -1.11 0.00 0.00 56.01 55.04 1m12 n LEU 77 Cb 0.31 -0.29 -0.11 0.00 0.53 0.00 0.00 43.42 43.86 1m12 n LEU 77 CO 0.12 -0.12 -0.27 0.00 -1.11 0.00 0.00 177.39 176.01 1m12 n SER 79 N -0.74 -2.61 0.00 0.00 3.41 -1.26 -4.88 113.62 107.54 1m12 n SER 79 Ca -0.03 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1m12 n SER 79 Cb 0.67 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 1m12 n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1m12 n GLY 80 N -0.90 -0.09 2.25 5.00 0.00 -1.26 -4.67 105.19 105.51 1m12 n GLY 80 Ca -0.02 -1.19 -0.19 0.00 0.00 0.00 0.00 46.02 44.63 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 5.37 -3.61 0.99 4.32 -1.26 -4.67 117.00 118.14 1m12 n LEU 81 Ca 0.00 -3.08 -0.29 0.00 -0.02 0.00 0.00 56.01 52.62 1m12 n LEU 81 Cb 0.00 -1.22 -0.15 0.00 -1.62 0.00 0.00 43.42 40.43 1m12 n LEU 81 CO 0.00 1.32 -0.33 0.54 -1.22 0.00 0.00 177.39 177.70 1m12 s VAL 82 N 1.96 0.33 -0.41 4.08 0.11 -1.26 -5.03 120.40 120.19 1m12 s VAL 82 Ca 0.54 -1.09 -0.12 0.00 -2.93 0.00 0.00 61.98 58.38 1m12 s VAL 82 Cb 0.21 -1.27 -0.12 0.00 -1.53 0.00 0.00 36.38 33.67 1m12 s VAL 82 CO -0.02 -0.73 1.61 -0.81 -3.33 0.00 0.00 175.10 171.83 1m12 n PRO 83 N 5.00 0.89 0.00 1.54 -0.05 -1.26 -4.90 135.00 136.22 1m12 n PRO 83 Ca -0.03 -1.13 0.00 0.00 -0.05 0.00 0.00 63.50 62.29 1m12 n PRO 83 Cb 0.42 -2.40 0.00 0.00 -0.05 0.00 0.00 33.50 31.46 1m12 n PRO 83 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 175.50 173.32