#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 6.04 0.24 -3.46 2.15 -1.26 -4.85 116.67 115.52 1m12 s ASP 2 Ca 0.00 1.58 0.24 0.00 0.43 0.00 0.00 52.55 54.81 1m12 s ASP 2 Cb 0.00 -2.53 0.93 0.00 -0.30 0.00 0.00 42.92 41.02 1m12 s ASP 2 CO 0.00 -1.55 1.73 1.33 -0.17 0.00 0.00 175.17 176.52 1m12 n VAL 3 N 7.01 0.75 -0.04 1.11 0.24 -1.26 -3.78 118.33 122.36 1m12 n VAL 3 Ca 0.22 0.06 -0.13 0.00 -2.04 0.00 0.00 64.34 62.46 1m12 n VAL 3 Cb 0.46 -0.97 -0.11 0.00 -1.47 0.00 0.00 33.84 31.75 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 -0.64 6.34 0.05 -1.94 -3.09 116.97 117.67 1m12 h TYR 4 Ca 0.00 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 1m12 h TYR 4 Cb 0.48 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.18 1m12 h TYR 4 CO 0.00 0.71 0.39 0.00 -1.05 0.00 0.00 178.16 178.21 1m12 h GLU 6 N 0.76 0.96 -0.27 0.00 4.39 -1.65 -1.74 114.58 117.04 1m12 h GLU 6 Ca 0.26 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.74 1m12 h GLU 6 Cb 0.04 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1m12 h GLU 6 CO -0.12 0.64 -0.50 0.28 -1.16 0.00 0.00 179.01 178.16 1m12 h VAL 7 N 0.99 1.29 -0.49 3.13 2.07 -1.25 -2.18 116.25 119.81 1m12 h VAL 7 Ca 0.47 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1m12 h VAL 7 Cb 0.41 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1m12 h VAL 7 CO -0.25 0.54 0.28 0.00 0.02 0.00 0.00 177.57 178.16 1m12 h GLU 9 N 0.65 0.02 -0.10 0.00 5.08 -1.38 -1.57 114.58 117.28 1m12 h GLU 9 Ca 0.17 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1m12 h GLU 9 Cb 0.04 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1m12 h GLU 9 CO -0.03 0.37 -0.08 0.35 -1.00 0.00 0.00 179.01 178.63 1m12 h PHE 10 N 0.01 0.27 -0.78 4.33 3.57 -0.63 -1.52 116.94 122.20 1m12 h PHE 10 Ca -0.00 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 1m12 h PHE 10 Cb 0.64 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 1m12 h PHE 10 CO 0.00 0.62 0.43 -0.07 -2.23 0.00 0.00 178.31 177.07 1m12 h LEU 11 N -0.15 0.98 -0.19 0.59 3.38 -0.95 -2.07 115.31 116.89 1m12 h LEU 11 Ca 0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1m12 h LEU 11 Cb 0.56 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1m12 h LEU 11 CO 0.02 0.79 0.11 0.58 0.09 0.00 0.00 178.44 180.03 1m12 h VAL 12 N 1.09 1.10 -0.79 1.22 2.07 -1.21 0.10 116.25 119.83 1m12 h VAL 12 Ca 0.28 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1m12 h VAL 12 Cb 0.03 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1m12 h VAL 12 CO -0.04 0.09 0.50 0.50 0.02 0.00 0.00 177.57 178.64 1m12 h LYS 13 N 0.21 0.95 -0.24 1.57 3.64 -0.98 -1.59 116.57 120.13 1m12 h LYS 13 Ca 0.07 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.21 1m12 h LYS 13 Cb 0.06 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1m12 h LYS 13 CO -0.01 0.63 -0.56 0.93 -2.27 0.00 0.00 179.45 178.17 1m12 h GLU 14 N 0.98 0.74 -0.54 1.90 5.08 -1.15 -3.06 114.58 118.53 1m12 h GLU 14 Ca 0.31 -0.47 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 1m12 h GLU 14 Cb 0.01 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1m12 h GLU 14 CO -0.11 1.10 0.01 0.28 -1.00 0.00 0.00 179.01 179.29 1m12 h VAL 15 N 0.56 1.26 -0.63 3.13 2.07 -0.53 -2.46 116.25 119.65 1m12 h VAL 15 Ca 0.01 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.37 1m12 h VAL 15 Cb 1.14 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1m12 h VAL 15 CO 0.12 0.39 0.12 0.71 0.02 0.00 0.00 177.57 178.93 1m12 h THR 16 N 0.83 1.25 -0.24 2.57 1.35 -1.29 0.43 112.91 117.81 1m12 h THR 16 Ca 0.16 -0.96 -0.03 0.00 -0.55 0.00 0.00 66.41 65.02 1m12 h THR 16 Cb 0.52 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.56 1m12 h THR 16 CO 0.03 0.36 -0.00 0.50 -0.25 0.00 0.00 175.52 176.15 1m12 h LYS 17 N 0.96 0.35 -0.21 4.72 3.64 -1.42 0.87 116.57 125.48 1m12 h LYS 17 Ca 0.20 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.35 1m12 h LYS 17 Cb 0.38 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1m12 h LYS 17 CO 0.01 0.38 -0.56 -0.07 -2.27 0.00 0.00 179.45 176.94 1m12 h LEU 18 N 0.34 0.70 -0.75 5.20 3.38 -0.73 0.14 115.31 123.59 1m12 h LEU 18 Ca 0.08 -0.38 -0.13 0.00 0.09 0.00 0.00 57.88 57.54 1m12 h LEU 18 Cb 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1m12 h LEU 18 CO 0.01 1.11 -0.52 0.40 0.09 0.00 0.00 178.44 179.53 1m12 h ILE 19 N 0.48 1.35 0.00 1.22 2.04 0.13 -2.66 117.51 120.08 1m12 h ILE 19 Ca 0.01 -1.79 -0.06 0.00 1.00 0.00 0.00 64.86 64.02 1m12 h ILE 19 Cb 1.12 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1m12 h ILE 19 CO 0.11 0.53 -0.30 -0.78 0.00 0.00 0.00 178.15 177.72 1m12 h ASP 20 N 0.21 0.00 0.03 1.72 3.58 0.11 -3.03 116.42 119.04 1m12 h ASP 20 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 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 0.30 -0.02 -3.20 -2.88 0.00 0.00 179.24 173.51 1m12 n ASN 21 N -3.27 1.16 -0.47 2.28 5.15 0.44 -4.94 115.26 115.61 1m12 n ASN 21 Ca 0.02 -1.32 0.00 0.00 -0.60 0.00 0.00 54.58 52.67 1m12 n ASN 21 Cb 0.57 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 1m12 n ASN 21 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1m12 n ASN 22 N -0.14 -1.80 -4.90 1.20 2.85 -1.14 -5.07 115.26 106.25 1m12 n ASN 22 Ca 0.19 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.35 1m12 n ASN 22 Cb 0.31 -0.45 -0.04 0.00 1.24 0.00 0.00 39.78 40.84 1m12 n ASN 22 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1m12 s LYS 23 N -4.45 3.59 0.72 1.20 1.02 -1.09 -5.07 119.74 115.66 1m12 s LYS 23 Ca 0.00 -0.15 -0.11 0.00 0.02 0.00 0.00 55.97 55.72 1m12 s LYS 23 Cb 0.00 -2.85 0.02 0.00 -0.52 0.00 0.00 37.83 34.48 1m12 s LYS 23 CO 0.00 0.45 1.10 0.95 -0.92 0.00 0.00 175.35 176.94 1m12 s THR 24 N -1.70 3.36 0.20 2.17 -4.23 -1.26 -4.84 115.64 109.34 1m12 s THR 24 Ca 0.40 0.44 -0.11 0.00 -1.18 0.00 0.00 61.69 61.25 1m12 s THR 24 Cb -0.12 -3.41 0.12 0.00 1.34 0.00 0.00 72.50 70.43 1m12 s THR 24 CO 0.26 -0.58 1.80 -0.08 -0.54 0.00 0.00 174.62 175.48 1m12 h GLU 25 N -0.72 0.58 -0.61 3.99 4.81 -2.00 -0.67 114.58 119.96 1m12 h GLU 25 Ca -0.45 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 58.87 1m12 h GLU 25 Cb 1.26 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 1m12 h GLU 25 CO 0.63 0.38 0.42 0.87 -0.73 0.00 0.00 179.01 180.58 1m12 h LYS 26 N 0.60 0.29 0.02 1.92 1.57 -2.00 -1.51 116.57 117.46 1m12 h LYS 26 Ca 0.27 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.79 1m12 h LYS 26 Cb 0.17 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1m12 h LYS 26 CO -0.18 0.19 -0.99 0.93 -0.57 0.00 0.00 179.45 178.83 1m12 h GLU 27 N 0.30 0.42 -0.65 3.15 5.08 -1.49 -2.22 114.58 119.17 1m12 h GLU 27 Ca 0.29 -0.48 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1m12 h GLU 27 Cb 0.74 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1m12 h GLU 27 CO -0.07 1.14 0.09 0.82 -1.00 0.00 0.00 179.01 179.99 1m12 h ILE 28 N 0.23 1.26 0.00 3.13 2.04 -0.87 -0.72 117.51 122.58 1m12 h ILE 28 Ca -0.09 -1.05 -0.13 0.00 1.00 0.00 0.00 64.86 64.59 1m12 h ILE 28 Cb 1.64 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1m12 h ILE 28 CO 0.17 0.39 -0.63 -0.07 0.00 0.00 0.00 178.15 178.01 1m12 h LEU 29 N 1.01 0.00 -0.27 1.44 3.38 -1.47 -2.71 115.31 116.69 1m12 h LEU 29 Ca 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 1m12 h LEU 29 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1m12 h LEU 29 CO 0.02 0.63 -0.12 -0.78 0.09 0.00 0.00 178.44 178.28 1m12 h ASP 30 N 0.00 0.56 0.60 -0.43 3.58 -0.84 -2.95 116.42 116.94 1m12 h ASP 30 Ca -0.01 -0.40 -0.03 0.00 0.42 0.00 0.00 57.03 57.01 1m12 h ASP 30 Cb 1.14 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.03 1m12 h ASP 30 CO 0.08 0.84 -0.16 0.00 -2.88 0.00 0.00 179.24 177.13 1m12 h ALA 31 N 0.74 1.16 0.00 -0.78 0.00 -1.07 -2.49 119.26 116.81 1m12 h ALA 31 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1m12 h ALA 31 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1m12 h ALA 31 CO 0.04 0.19 0.22 1.19 0.00 0.00 0.00 179.25 180.89 1m12 n PHE 32 N -3.50 0.52 0.31 0.00 3.01 -1.03 0.01 117.46 116.78 1m12 n PHE 32 Ca -0.01 0.27 0.12 0.00 1.01 0.00 0.00 57.45 58.84 1m12 n PHE 32 Cb 0.31 -0.79 0.23 0.00 -0.01 0.00 0.00 39.48 39.22 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 3.32 -1.61 -3.33 116.42 119.18 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 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1m12 h ASP 33 CO 0.00 0.00 -0.05 2.29 -1.72 0.00 0.00 179.24 179.76 1m12 n LYS 34 N -2.92 1.16 0.10 3.56 2.85 0.10 -4.80 118.16 118.22 1m12 n LYS 34 Ca 0.04 -1.05 -0.23 0.00 -1.05 0.00 0.00 58.31 56.03 1m12 n LYS 34 Cb 0.51 -0.75 -0.15 0.00 -0.65 0.00 0.00 35.03 33.98 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 0.44 0.00 -1.58 4.05 -1.20 -2.90 114.93 113.74 1m12 h MET 35 Ca 0.00 -0.75 0.00 0.00 -0.28 0.00 0.00 59.70 58.67 1m12 h MET 35 Cb 0.86 0.28 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1m12 h MET 35 CO 0.00 1.36 0.00 0.00 0.23 0.00 0.00 176.91 178.50 1m12 n SER 37 N -1.17 0.92 -0.01 0.00 2.88 -1.09 -3.28 113.62 111.87 1m12 n SER 37 Ca 0.05 -2.05 0.00 0.00 -1.33 0.00 0.00 58.87 55.54 1m12 n SER 37 Cb 0.05 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 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 -0.11 0.07 -4.24 -1.46 5.02 -0.74 -5.01 118.16 111.67 1m12 n LYS 38 Ca 0.03 -0.45 -0.34 0.00 -2.02 0.00 0.00 58.31 55.53 1m12 n LYS 38 Cb 0.19 -0.94 -0.08 0.00 -0.02 0.00 0.00 35.03 34.18 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 -0.29 3.70 0.92 -0.35 1.43 -1.21 -5.08 118.68 117.81 1m12 s LEU 39 Ca 0.00 0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 53.07 1m12 s LEU 39 Cb 0.00 -2.01 -0.08 0.00 0.03 0.00 0.00 46.19 44.14 1m12 s LEU 39 CO 0.01 0.32 -0.21 -2.65 0.23 0.00 0.00 176.35 174.05 1m12 n PRO 40 N 1.67 -0.07 0.22 1.29 -0.02 -1.26 -4.74 135.00 132.09 1m12 n PRO 40 Ca -0.16 -0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.47 1m12 n PRO 40 Cb 0.53 -1.38 0.74 0.00 -0.02 0.00 0.00 33.50 33.37 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 -1.06 0.00 0.00 -0.52 3.64 -1.98 -2.83 116.57 113.83 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 1.03 -2.27 0.00 0.00 179.45 178.51 1m12 h SER 42 N 0.00 0.00 -0.01 4.20 0.87 -2.02 -2.91 113.55 113.68 1m12 h SER 42 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1m12 h SER 42 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1m12 h SER 42 CO 0.00 0.00 -0.03 0.18 -0.53 0.00 0.00 176.83 176.45 1m12 n LEU 43 N -2.32 1.36 0.00 2.23 4.77 -1.07 -4.81 117.00 117.17 1m12 n LEU 43 Ca 0.02 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 1m12 n LEU 43 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1m12 n LEU 43 CO 0.21 0.28 0.35 -1.20 -1.33 0.00 0.00 177.39 175.71 1m12 n SER 44 N 0.18 0.00 -0.04 -1.43 7.64 -1.10 -2.78 113.62 116.08 1m12 n SER 44 Ca 0.03 0.71 -0.08 0.00 1.01 0.00 0.00 58.87 60.54 1m12 n SER 44 Cb 0.14 -0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 1m12 n SER 44 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1m12 h GLU 45 N 0.00 -0.19 -0.10 1.43 5.08 -1.87 -1.57 114.58 117.36 1m12 h GLU 45 Ca 0.00 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1m12 h GLU 45 Cb 0.00 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1m12 h GLU 45 CO 0.00 -0.12 0.24 0.93 -1.00 0.00 0.00 179.01 179.05 1m12 h GLU 46 N -0.19 0.00 0.16 2.33 4.39 -1.88 0.59 114.58 119.98 1m12 h GLU 46 Ca 0.13 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.61 1m12 h GLU 46 Cb 0.39 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.07 1m12 h GLU 46 CO -0.35 0.00 -0.99 0.00 -1.16 0.00 0.00 179.01 176.52 1m12 h GLN 48 N -0.20 0.47 -0.48 0.00 4.20 -0.64 0.69 115.11 119.15 1m12 h GLN 48 Ca -0.17 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.38 1m12 h GLN 48 Cb 1.77 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.43 1m12 h GLN 48 CO 0.19 0.31 -0.22 1.49 -0.67 0.00 0.00 178.83 179.93 1m12 h GLU 49 N 0.49 1.00 0.19 1.46 4.22 -1.51 0.74 114.58 121.16 1m12 h GLU 49 Ca 0.36 -0.43 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 1m12 h GLU 49 Cb 0.48 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1m12 h GLU 49 CO -0.33 1.11 -0.09 0.28 -2.18 0.00 0.00 179.01 177.79 1m12 h VAL 50 N 0.85 0.89 0.42 0.32 2.07 -0.90 -0.81 116.25 119.10 1m12 h VAL 50 Ca 0.11 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1m12 h VAL 50 Cb 0.80 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1m12 h VAL 50 CO 0.07 0.18 -0.21 0.58 0.02 0.00 0.00 177.57 178.21 1m12 h VAL 51 N -0.72 0.57 -0.68 2.57 2.07 0.31 1.02 116.25 121.39 1m12 h VAL 51 Ca -0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1m12 h VAL 51 Cb 0.50 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1m12 h VAL 51 CO 0.04 0.00 0.31 0.44 0.02 0.00 0.00 177.57 178.38 1m12 h ASP 52 N -0.58 0.91 0.18 0.57 3.32 -0.93 0.29 116.42 120.17 1m12 h ASP 52 Ca -0.06 -0.15 -0.36 0.00 0.02 0.00 0.00 57.03 56.49 1m12 h ASP 52 Cb 0.45 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1m12 h ASP 52 CO 0.09 0.80 -1.83 0.74 -1.72 0.00 0.00 179.24 177.32 1m12 h THR 53 N 0.95 0.84 -0.48 0.35 2.02 -1.10 -3.38 112.91 112.11 1m12 h THR 53 Ca 0.23 -2.47 -0.25 0.00 0.77 0.00 0.00 66.41 64.69 1m12 h THR 53 Cb 0.15 2.68 -0.15 0.00 -1.74 0.00 0.00 68.15 69.09 1m12 h THR 53 CO -0.03 0.87 0.04 -1.22 0.37 0.00 0.00 175.52 175.56 1m12 n TYR 54 N -3.55 1.47 -0.06 3.16 4.02 0.35 -4.73 117.16 117.83 1m12 n TYR 54 Ca -0.27 -1.69 -0.06 0.00 -0.01 0.00 0.00 57.90 55.87 1m12 n TYR 54 Cb 1.07 -0.58 -0.06 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 1.03 0.00 2.00 2.72 0.00 -0.38 -2.56 103.07 105.88 1m12 h GLY 55 Ca 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.58 1m12 h GLY 55 CO 0.53 0.00 -0.27 1.76 0.00 0.00 0.00 176.54 178.56 1m12 h SER 56 N -1.00 0.00 -0.01 0.19 0.02 -1.85 -2.35 113.55 108.56 1m12 h SER 56 Ca -0.01 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1m12 h SER 56 Cb 0.45 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.00 1m12 h SER 56 CO -0.00 0.27 -0.29 0.77 -1.14 0.00 0.00 176.83 176.44 1m12 h SER 57 N 0.00 0.26 0.48 3.07 4.64 -1.87 0.15 113.55 120.28 1m12 h SER 57 Ca -0.00 -0.76 -0.02 0.00 -0.47 0.00 0.00 61.79 60.54 1m12 h SER 57 Cb 0.49 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1m12 h SER 57 CO 0.04 0.99 -0.32 0.40 -0.87 0.00 0.00 176.83 177.06 1m12 h ILE 58 N -0.44 0.34 -0.05 0.95 2.04 -1.41 -0.17 117.51 118.76 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 1.03 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1m12 h ILE 58 CO 0.06 0.00 0.05 0.25 0.00 0.00 0.00 178.15 178.51 1m12 h LEU 59 N -0.77 0.00 0.11 1.44 5.85 -1.51 -1.64 115.31 118.78 1m12 h LEU 59 Ca -0.05 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.40 1m12 h LEU 59 Cb 0.65 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 1m12 h LEU 59 CO 0.03 0.00 -1.27 -1.28 -0.34 0.00 0.00 178.44 175.58 1m12 h SER 60 N 0.00 0.37 -0.01 1.25 0.87 0.27 -3.31 113.55 112.99 1m12 h SER 60 Ca 0.02 -0.41 -0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1m12 h SER 60 Cb 0.13 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1m12 h SER 60 CO -0.00 1.33 -0.01 0.40 -0.53 0.00 0.00 176.83 178.02 1m12 h ILE 61 N 0.06 1.36 -0.56 2.23 1.08 -0.17 -3.04 117.51 118.47 1m12 h ILE 61 Ca -0.14 -1.07 0.16 0.00 -0.39 0.00 0.00 64.86 63.42 1m12 h ILE 61 Cb 1.96 2.05 -0.02 0.00 -3.07 0.00 0.00 36.82 37.74 1m12 h ILE 61 CO 0.19 0.28 0.44 -0.07 -0.69 0.00 0.00 178.15 178.31 1m12 h LEU 62 N -0.41 0.00 -0.24 1.44 3.38 -1.53 0.71 115.31 118.66 1m12 h LEU 62 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1m12 h LEU 62 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1m12 h LEU 62 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.46 1m12 h LEU 63 N 0.00 0.00 -2.64 1.67 3.38 -1.61 -3.09 115.31 113.02 1m12 h LEU 63 Ca 0.27 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.08 1m12 h LEU 63 Cb 1.15 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 1m12 h LEU 63 CO -0.00 0.00 0.19 -0.62 0.09 0.00 0.00 178.44 178.10 1m12 n GLU 64 N -2.50 1.37 -2.71 1.13 1.02 0.25 -4.81 120.64 114.40 1m12 n GLU 64 Ca 0.04 -0.87 -0.13 0.00 -0.02 0.00 0.00 57.16 56.18 1m12 n GLU 64 Cb 0.40 -1.34 -0.01 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.10 -2.65 -3.40 3.49 1.02 -1.17 -4.93 120.64 113.11 1m12 n GLU 65 Ca 0.17 0.46 -0.36 0.00 -0.02 0.00 0.00 57.16 57.41 1m12 n GLU 65 Cb 0.81 -5.07 -0.06 0.00 -0.02 0.00 0.00 31.44 27.10 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 -2.60 4.90 0.62 2.62 1.01 -1.25 -5.03 120.40 120.67 1m12 s VAL 66 Ca 0.11 0.80 -0.18 0.00 0.00 0.00 0.00 61.98 62.71 1m12 s VAL 66 Cb -0.06 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 1m12 s VAL 66 CO 0.14 0.30 0.62 -1.20 0.00 0.00 0.00 175.10 174.96 1m12 n SER 67 N 0.97 -0.69 -0.20 3.32 7.64 -1.26 -4.78 113.62 118.61 1m12 n SER 67 Ca -0.07 0.71 -0.10 0.00 1.01 0.00 0.00 58.87 60.43 1m12 n SER 67 Cb 0.52 -1.23 0.02 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 0.12 1.05 0.00 1.43 0.13 -1.97 -3.05 132.00 129.70 1m12 h PRO 68 Ca -0.46 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 1m12 h PRO 68 Cb 1.38 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1m12 h PRO 68 CO 0.47 1.04 0.00 1.05 -0.23 0.00 0.00 178.00 180.33 1m12 h GLU 69 N 0.94 0.00 0.00 0.86 4.11 -2.00 -2.86 114.58 115.63 1m12 h GLU 69 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 1m12 h GLU 69 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1m12 h GLU 69 CO 0.04 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 179.05 1m12 h LEU 70 N 0.00 0.00 0.41 3.06 3.38 -1.89 -3.21 115.31 117.06 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 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 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 -0.27 116.25 118.24 1m12 h VAL 71 Ca 0.00 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 1m12 h VAL 71 Cb 0.47 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1m12 h VAL 71 CO 0.00 0.07 -0.22 0.00 0.02 0.00 0.00 177.57 177.45 1m12 h SER 73 N 0.00 0.76 -0.23 0.00 0.87 -1.57 -3.00 113.55 110.38 1m12 h SER 73 Ca -0.00 -0.63 -0.17 0.00 -1.23 0.00 0.00 61.79 59.76 1m12 h SER 73 Cb 0.45 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1m12 h SER 73 CO 0.03 1.43 -0.53 0.24 -0.53 0.00 0.00 176.83 177.47 1m12 h MET 74 N 0.31 0.76 -0.45 2.24 2.86 -0.83 -3.03 114.93 116.79 1m12 h MET 74 Ca -0.12 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 57.00 1m12 h MET 74 Cb 1.70 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.44 1m12 h MET 74 CO 0.20 1.14 0.00 1.28 1.06 0.00 0.00 176.91 180.59 1m12 n LEU 75 N -4.09 0.45 -1.57 1.22 4.77 -0.98 -4.75 117.00 112.05 1m12 n LEU 75 Ca -0.06 -0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 55.61 1m12 n LEU 75 Cb 0.62 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1m12 n LEU 75 CO 0.49 0.11 -0.10 1.41 -1.33 0.00 0.00 177.39 177.98 1m12 n HIS 76 N 0.09 -0.82 0.93 -1.77 8.25 -1.14 -4.74 115.22 116.02 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 -2.15 0.38 0.00 1.12 0.00 0.00 29.99 29.45 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 -1.89 0.36 -4.29 2.41 4.77 -1.15 -4.84 117.00 112.36 1m12 n LEU 77 Ca -0.10 0.24 -0.20 0.00 -0.03 0.00 0.00 56.01 55.92 1m12 n LEU 77 Cb 0.37 -0.34 -0.11 0.00 -2.33 0.00 0.00 43.42 41.01 1m12 n LEU 77 CO 0.14 0.04 -0.47 0.00 -1.33 0.00 0.00 177.39 175.77 1m12 h SER 79 N 3.43 -0.45 0.00 0.00 4.64 -1.92 -3.47 113.55 115.78 1m12 h SER 79 Ca -0.42 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1m12 h SER 79 Cb 1.20 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1m12 h SER 79 CO 0.50 -0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 1m12 n GLY 80 N -0.92 3.52 0.22 -0.77 0.00 -1.26 -4.92 105.19 101.06 1m12 n GLY 80 Ca -0.11 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.62 1m12 n GLY 80 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1m12 h LEU 81 N 0.00 0.00 -9.93 0.99 -0.00 -1.93 -3.40 115.31 101.04 1m12 h LEU 81 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 57.39 1m12 h LEU 81 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 1m12 h LEU 81 CO 0.00 0.00 0.20 0.68 -0.00 0.00 0.00 178.44 179.32 1m12 s VAL 82 N -3.45 4.47 -1.32 1.22 -7.23 -1.26 -4.89 120.40 107.94 1m12 s VAL 82 Ca -0.01 1.38 0.00 0.00 -1.81 0.00 0.00 61.98 61.54 1m12 s VAL 82 Cb 0.03 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.17 1m12 s VAL 82 CO 0.09 0.02 0.81 -0.81 -0.31 0.00 0.00 175.10 174.91 1m12 n PRO 83 N 0.24 0.00 0.00 4.82 -0.04 -1.26 -5.09 135.00 133.66 1m12 n PRO 83 Ca 0.01 0.31 0.15 0.00 -0.04 0.00 0.00 63.50 63.94 1m12 n PRO 83 Cb 0.52 -1.51 0.74 0.00 -0.04 0.00 0.00 33.50 33.21 1m12 n PRO 83 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33