#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 0.38 6.43 -4.77 -1.26 -4.85 116.67 118.11 1m12 s ASP 2 Ca 0.00 1.44 0.27 0.00 -3.30 0.00 0.00 52.55 50.96 1m12 s ASP 2 Cb 0.00 -2.52 0.90 0.00 -1.09 0.00 0.00 42.92 40.21 1m12 s ASP 2 CO 0.00 -1.99 1.78 -0.37 0.70 0.00 0.00 175.17 175.29 1m12 h VAL 3 N 7.05 0.00 -0.02 2.11 -1.51 -2.01 -3.32 116.25 118.55 1m12 h VAL 3 Ca -0.35 -0.55 -0.01 0.00 -1.23 0.00 0.00 66.70 64.56 1m12 h VAL 3 Cb 1.21 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.85 1m12 h VAL 3 CO 1.03 0.00 -0.04 1.88 -1.23 0.00 0.00 177.57 179.21 1m12 h TYR 4 N 0.00 0.07 -0.60 5.19 0.05 -1.94 -3.05 116.97 116.69 1m12 h TYR 4 Ca 0.00 -0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.82 1m12 h TYR 4 Cb 0.64 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 38.31 1m12 h TYR 4 CO 0.00 0.61 0.30 0.00 -1.05 0.00 0.00 178.16 178.02 1m12 h GLU 6 N 0.55 0.76 -0.11 0.00 4.81 -1.64 -1.73 114.58 117.21 1m12 h GLU 6 Ca 0.28 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 59.25 1m12 h GLU 6 Cb 0.23 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1m12 h GLU 6 CO -0.21 0.50 -0.79 0.28 -0.73 0.00 0.00 179.01 178.06 1m12 h VAL 7 N 0.78 1.32 -0.46 0.32 2.07 -1.13 -2.56 116.25 116.59 1m12 h VAL 7 Ca 0.53 -2.08 -0.00 0.00 0.82 0.00 0.00 66.70 65.97 1m12 h VAL 7 Cb 0.74 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 1m12 h VAL 7 CO -0.35 0.64 0.29 0.00 0.02 0.00 0.00 177.57 178.17 1m12 h GLU 9 N 0.62 0.04 -0.14 0.00 5.08 -1.49 -1.29 114.58 117.40 1m12 h GLU 9 Ca 0.17 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1m12 h GLU 9 Cb -0.03 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1m12 h GLU 9 CO -0.03 0.47 -0.08 0.35 -1.00 0.00 0.00 179.01 178.72 1m12 h PHE 10 N 0.03 0.35 -0.50 4.33 3.57 -0.88 -0.56 116.94 123.29 1m12 h PHE 10 Ca -0.00 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 1m12 h PHE 10 Cb 0.78 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1m12 h PHE 10 CO 0.00 0.64 0.24 -0.07 -2.23 0.00 0.00 178.31 176.90 1m12 h LEU 11 N -0.05 0.65 -0.32 0.59 3.38 -0.85 -0.80 115.31 117.91 1m12 h LEU 11 Ca 0.03 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1m12 h LEU 11 Cb 0.55 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1m12 h LEU 11 CO 0.02 0.59 0.21 0.58 0.09 0.00 0.00 178.44 179.93 1m12 h VAL 12 N 0.66 1.07 -0.62 1.22 2.07 -1.17 0.37 116.25 119.84 1m12 h VAL 12 Ca 0.17 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1m12 h VAL 12 Cb 0.11 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1m12 h VAL 12 CO -0.02 0.08 0.38 0.50 0.02 0.00 0.00 177.57 178.53 1m12 h LYS 13 N 0.42 0.73 -0.23 1.57 3.64 -0.76 -0.39 116.57 121.55 1m12 h LYS 13 Ca 0.12 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.29 1m12 h LYS 13 Cb -0.04 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1m12 h LYS 13 CO -0.04 0.48 -0.53 0.93 -2.27 0.00 0.00 179.45 178.03 1m12 h GLU 14 N 0.75 0.67 -0.25 1.90 3.07 -0.70 -3.00 114.58 117.02 1m12 h GLU 14 Ca 0.25 -0.42 -0.08 0.00 -0.50 0.00 0.00 59.36 58.61 1m12 h GLU 14 Cb 0.01 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1m12 h GLU 14 CO -0.10 1.04 -0.16 0.28 -1.40 0.00 0.00 179.01 178.67 1m12 h VAL 15 N 0.52 1.31 -0.81 3.13 2.07 0.21 -2.53 116.25 120.15 1m12 h VAL 15 Ca 0.01 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 1m12 h VAL 15 Cb 1.10 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 32.43 1m12 h VAL 15 CO 0.11 0.40 0.34 0.71 0.02 0.00 0.00 177.57 179.15 1m12 h THR 16 N 0.27 1.26 -0.24 2.57 1.35 -1.11 0.44 112.91 117.45 1m12 h THR 16 Ca 0.05 -0.79 -0.03 0.00 -0.55 0.00 0.00 66.41 65.09 1m12 h THR 16 Cb 0.69 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.36 1m12 h THR 16 CO 0.04 0.33 0.02 0.50 -0.25 0.00 0.00 175.52 176.16 1m12 h LYS 17 N 1.17 0.34 -0.16 4.72 3.64 -1.50 0.98 116.57 125.77 1m12 h LYS 17 Ca 0.27 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.45 1m12 h LYS 17 Cb 0.18 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1m12 h LYS 17 CO -0.03 0.36 -0.54 -0.07 -2.27 0.00 0.00 179.45 176.90 1m12 h LEU 18 N 0.34 0.54 -0.67 5.20 -0.00 -0.65 0.16 115.31 120.23 1m12 h LEU 18 Ca 0.08 -0.29 -0.14 0.00 -0.00 0.00 0.00 57.88 57.53 1m12 h LEU 18 Cb 0.21 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.70 1m12 h LEU 18 CO 0.00 0.98 -0.59 0.40 -0.00 0.00 0.00 178.44 179.23 1m12 h ILE 19 N 0.37 1.38 0.00 1.22 2.04 0.18 -2.75 117.51 119.95 1m12 h ILE 19 Ca 0.01 -1.96 -0.08 0.00 1.00 0.00 0.00 64.86 63.83 1m12 h ILE 19 Cb 1.07 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 1m12 h ILE 19 CO 0.10 0.58 -0.38 -0.78 0.00 0.00 0.00 178.15 177.67 1m12 h ASP 20 N 0.17 0.00 -0.09 1.72 1.82 0.14 -2.99 116.42 117.20 1m12 h ASP 20 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1m12 h ASP 20 Cb 1.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.10 1m12 h ASP 20 CO 0.09 0.38 0.00 -3.20 -1.61 0.00 0.00 179.24 174.90 1m12 n ASN 21 N -3.33 1.20 -0.72 2.28 5.15 0.50 -4.93 115.26 115.41 1m12 n ASN 21 Ca 0.01 -1.54 -0.02 0.00 -0.60 0.00 0.00 54.58 52.42 1m12 n ASN 21 Cb 0.59 -0.05 0.01 0.00 -0.53 0.00 0.00 39.78 39.80 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 -2.29 -4.89 1.20 5.03 -1.13 -5.06 115.26 108.10 1m12 n ASN 22 Ca 0.17 -0.04 -0.31 0.00 0.87 0.00 0.00 54.58 55.27 1m12 n ASN 22 Cb 0.27 -0.92 -0.05 0.00 -1.02 0.00 0.00 39.78 38.07 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 -5.00 3.66 0.57 3.52 1.02 -1.06 -5.07 119.74 117.39 1m12 s LYS 23 Ca 0.05 -0.00 -0.14 0.00 0.02 0.00 0.00 55.97 55.90 1m12 s LYS 23 Cb -0.02 -2.77 -0.05 0.00 -0.52 0.00 0.00 37.83 34.47 1m12 s LYS 23 CO 0.06 0.39 1.01 0.95 -0.92 0.00 0.00 175.35 176.84 1m12 s THR 24 N -1.77 4.47 0.25 2.17 -4.23 -1.26 -4.82 115.64 110.44 1m12 s THR 24 Ca 0.43 1.02 -0.03 0.00 -1.18 0.00 0.00 61.69 61.93 1m12 s THR 24 Cb -0.12 -3.71 0.22 0.00 1.34 0.00 0.00 72.50 70.24 1m12 s THR 24 CO 0.25 -0.84 1.74 -0.33 -0.54 0.00 0.00 174.62 174.91 1m12 h GLU 25 N 0.32 0.50 -0.78 3.99 3.07 -2.00 0.29 114.58 119.98 1m12 h GLU 25 Ca -0.46 -0.03 0.18 0.00 -0.50 0.00 0.00 59.36 58.55 1m12 h GLU 25 Cb 1.19 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.94 1m12 h GLU 25 CO 0.61 0.33 0.53 0.87 -1.40 0.00 0.00 179.01 179.94 1m12 h LYS 26 N 0.51 0.30 0.03 2.33 1.57 -2.00 -0.94 116.57 118.38 1m12 h LYS 26 Ca 0.42 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.95 1m12 h LYS 26 Cb 0.61 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1m12 h LYS 26 CO -0.38 0.20 -1.01 0.93 -0.57 0.00 0.00 179.45 178.61 1m12 h GLU 27 N 0.31 0.39 -0.50 3.15 5.08 -0.78 -2.36 114.58 119.87 1m12 h GLU 27 Ca 0.39 -0.46 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1m12 h GLU 27 Cb 1.05 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1m12 h GLU 27 CO -0.10 1.14 0.02 0.82 -1.00 0.00 0.00 179.01 179.89 1m12 h ILE 28 N 0.20 1.26 -0.01 3.13 2.04 -0.79 0.13 117.51 123.47 1m12 h ILE 28 Ca -0.09 -1.03 -0.11 0.00 1.00 0.00 0.00 64.86 64.63 1m12 h ILE 28 Cb 1.67 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1m12 h ILE 28 CO 0.17 0.36 -0.49 -0.07 0.00 0.00 0.00 178.15 178.13 1m12 h LEU 29 N 0.72 0.03 -0.28 1.44 3.38 -1.47 -1.97 115.31 117.17 1m12 h LEU 29 Ca 0.14 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1m12 h LEU 29 Cb 0.48 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1m12 h LEU 29 CO 0.02 0.52 -0.15 -0.78 0.09 0.00 0.00 178.44 178.14 1m12 h ASP 30 N 0.02 0.62 0.71 -0.43 3.58 -0.88 -2.96 116.42 117.09 1m12 h ASP 30 Ca -0.00 -0.41 -0.04 0.00 0.42 0.00 0.00 57.03 56.99 1m12 h ASP 30 Cb 0.88 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 1m12 h ASP 30 CO 0.07 0.90 -0.20 0.00 -2.88 0.00 0.00 179.24 177.12 1m12 h ALA 31 N 0.74 1.11 0.00 -0.78 0.00 -0.74 -2.82 119.26 116.78 1m12 h ALA 31 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1m12 h ALA 31 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1m12 h ALA 31 CO 0.04 0.25 0.17 1.19 0.00 0.00 0.00 179.25 180.90 1m12 n PHE 32 N -3.49 0.00 0.46 0.00 3.01 -0.76 0.08 117.46 116.76 1m12 n PHE 32 Ca -0.01 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 1m12 n PHE 32 Cb 0.37 -0.28 0.19 0.00 -0.01 0.00 0.00 39.48 39.75 1m12 n PHE 32 CO 0.00 0.00 0.00 0.38 1.01 0.00 0.00 176.76 178.15 1m12 h ASP 33 N 0.00 0.00 0.00 4.37 2.03 -1.68 -3.35 116.42 117.79 1m12 h ASP 33 Ca 0.00 -0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.19 1m12 h ASP 33 Cb 0.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 1m12 h ASP 33 CO 0.00 0.05 -0.06 2.29 -1.03 0.00 0.00 179.24 180.49 1m12 n LYS 34 N -2.36 1.00 0.02 4.15 2.85 0.11 -4.83 118.16 119.11 1m12 n LYS 34 Ca 0.03 -1.02 -0.19 0.00 -1.05 0.00 0.00 58.31 56.08 1m12 n LYS 34 Cb 0.47 -0.72 -0.14 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 0.23 0.00 -1.58 4.05 -1.45 -3.01 114.93 113.17 1m12 h MET 35 Ca 0.00 -0.39 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 1m12 h MET 35 Cb 0.90 0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 1m12 h MET 35 CO 0.00 1.19 0.00 0.00 0.23 0.00 0.00 176.91 178.33 1m12 n SER 37 N -1.19 0.00 -1.60 0.00 7.64 -1.14 -3.34 113.62 113.99 1m12 n SER 37 Ca 0.03 0.07 0.06 0.00 1.01 0.00 0.00 58.87 60.04 1m12 n SER 37 Cb 0.03 -0.36 0.33 0.00 -1.01 0.00 0.00 64.21 63.21 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 -1.36 4.03 -4.60 1.43 4.01 -0.18 -4.89 118.16 116.60 1m12 n LYS 38 Ca 0.12 -2.57 -0.24 0.00 -0.51 0.00 0.00 58.31 55.11 1m12 n LYS 38 Cb 0.27 -2.06 -0.14 0.00 -0.51 0.00 0.00 35.03 32.59 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 -2.13 2.13 0.94 -0.35 1.43 -1.21 -5.12 118.68 114.37 1m12 s LEU 39 Ca 0.45 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 52.95 1m12 s LEU 39 Cb 0.33 -0.84 -0.08 0.00 0.03 0.00 0.00 46.19 45.63 1m12 s LEU 39 CO 0.15 0.14 -0.26 -2.65 0.23 0.00 0.00 176.35 173.96 1m12 n PRO 40 N 2.08 -0.09 0.26 1.29 -0.02 -1.26 -4.72 135.00 132.54 1m12 n PRO 40 Ca -0.17 -0.01 0.18 0.00 -2.02 0.00 0.00 63.50 61.48 1m12 n PRO 40 Cb 0.54 -1.36 0.88 0.00 -0.02 0.00 0.00 33.50 33.54 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 -1.12 0.00 0.00 -0.52 3.64 -1.97 -2.83 116.57 113.77 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 0.29 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 178.13 1m12 h SER 42 N 0.00 0.00 -0.01 4.20 4.64 -2.02 -2.75 113.55 117.62 1m12 h SER 42 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1m12 h SER 42 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1m12 h SER 42 CO 0.00 0.00 -0.04 0.18 -0.87 0.00 0.00 176.83 176.10 1m12 n LEU 43 N -2.42 1.37 0.00 5.97 4.77 -1.07 -4.80 117.00 120.82 1m12 n LEU 43 Ca 0.02 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 1m12 n LEU 43 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1m12 n LEU 43 CO 0.21 0.28 0.34 -0.24 -1.33 0.00 0.00 177.39 176.65 1m12 n SER 44 N 0.16 0.00 -0.09 -1.43 2.88 -1.04 -2.77 113.62 111.33 1m12 n SER 44 Ca 0.03 0.67 -0.06 0.00 -1.33 0.00 0.00 58.87 58.19 1m12 n SER 44 Cb 0.15 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 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 -0.05 -0.15 -1.46 5.08 -1.87 -1.46 114.58 114.67 1m12 h GLU 45 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1m12 h GLU 45 Cb 0.00 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1m12 h GLU 45 CO 0.00 -0.03 0.24 0.93 -1.00 0.00 0.00 179.01 179.14 1m12 h GLU 46 N -0.05 0.00 0.10 2.33 4.39 -1.86 0.76 114.58 120.24 1m12 h GLU 46 Ca 0.17 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.65 1m12 h GLU 46 Cb 0.31 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1m12 h GLU 46 CO -0.37 0.00 -0.92 0.00 -1.16 0.00 0.00 179.01 176.55 1m12 h GLN 48 N -0.08 0.49 -0.35 0.00 -0.00 -0.64 0.38 115.11 114.92 1m12 h GLN 48 Ca -0.14 -0.03 -0.11 0.00 -0.00 0.00 0.00 58.65 58.37 1m12 h GLN 48 Cb 1.66 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 29.02 1m12 h GLN 48 CO 0.18 0.33 -0.20 0.93 0.00 0.00 0.00 178.83 180.06 1m12 h GLU 49 N 0.51 0.76 0.01 1.69 5.08 -1.47 0.15 114.58 121.30 1m12 h GLU 49 Ca 0.30 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1m12 h GLU 49 Cb 0.31 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1m12 h GLU 49 CO -0.25 0.96 -0.00 0.28 -1.00 0.00 0.00 179.01 178.99 1m12 h VAL 50 N 0.54 1.26 0.25 3.13 2.07 -0.91 0.04 116.25 122.62 1m12 h VAL 50 Ca 0.07 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1m12 h VAL 50 Cb 0.75 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1m12 h VAL 50 CO 0.06 0.20 -0.12 0.58 0.02 0.00 0.00 177.57 178.31 1m12 h VAL 51 N -0.35 0.77 -0.54 2.57 2.07 -0.26 0.76 116.25 121.28 1m12 h VAL 51 Ca -0.00 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1m12 h VAL 51 Cb 0.34 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1m12 h VAL 51 CO 0.00 0.03 0.20 -0.78 0.02 0.00 0.00 177.57 177.04 1m12 h ASP 52 N -0.41 0.76 0.18 0.57 3.58 -0.73 0.23 116.42 120.59 1m12 h ASP 52 Ca -0.03 -0.18 -0.36 0.00 0.42 0.00 0.00 57.03 56.88 1m12 h ASP 52 Cb 0.31 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1m12 h ASP 52 CO 0.06 0.74 -1.80 0.74 -2.88 0.00 0.00 179.24 176.09 1m12 h THR 53 N 0.74 0.87 -0.50 2.25 2.02 -0.97 -3.38 112.91 113.94 1m12 h THR 53 Ca 0.18 -2.48 -0.27 0.00 0.77 0.00 0.00 66.41 64.61 1m12 h THR 53 Cb 0.23 2.71 -0.16 0.00 -1.74 0.00 0.00 68.15 69.19 1m12 h THR 53 CO -0.01 0.87 0.03 -1.22 0.37 0.00 0.00 175.52 175.56 1m12 n TYR 54 N -3.58 1.56 -0.06 3.16 4.02 0.26 -4.75 117.16 117.78 1m12 n TYR 54 Ca -0.26 -1.74 -0.03 0.00 -0.01 0.00 0.00 57.90 55.85 1m12 n TYR 54 Cb 1.07 -0.60 -0.03 0.00 -0.02 0.00 0.00 39.34 39.76 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 1.10 0.00 1.96 2.72 0.00 -0.49 -2.82 103.07 105.54 1m12 h GLY 55 Ca 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.59 1m12 h GLY 55 CO 0.57 0.00 -0.23 1.76 0.00 0.00 0.00 176.54 178.64 1m12 h SER 56 N -1.00 0.05 -0.02 0.19 0.02 -1.85 -2.60 113.55 108.33 1m12 h SER 56 Ca -0.01 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 1m12 h SER 56 Cb 0.26 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1m12 h SER 56 CO -0.00 0.28 -0.16 0.77 -1.14 0.00 0.00 176.83 176.58 1m12 h SER 57 N 0.05 0.16 -0.51 3.07 4.64 -1.87 -1.08 113.55 118.01 1m12 h SER 57 Ca 0.01 -0.71 0.08 0.00 -0.47 0.00 0.00 61.79 60.69 1m12 h SER 57 Cb 0.43 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 62.40 1m12 h SER 57 CO 0.03 0.85 0.14 0.40 -0.87 0.00 0.00 176.83 177.38 1m12 h ILE 58 N -0.51 0.76 0.00 0.95 2.04 -1.46 0.11 117.51 119.41 1m12 h ILE 58 Ca -0.01 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1m12 h ILE 58 Cb 0.86 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1m12 h ILE 58 CO 0.03 0.05 -0.10 -0.07 0.00 0.00 0.00 178.15 178.07 1m12 h LEU 59 N 0.29 0.00 0.08 1.44 -0.00 -1.45 -2.61 115.31 113.06 1m12 h LEU 59 Ca 0.25 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.86 1m12 h LEU 59 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 1m12 h LEU 59 CO -0.30 0.10 -1.30 -1.28 -0.00 0.00 0.00 178.44 175.66 1m12 h SER 60 N 0.00 0.27 -0.15 -0.43 0.87 0.56 -3.30 113.55 111.37 1m12 h SER 60 Ca -0.00 -0.32 -0.09 0.00 -1.23 0.00 0.00 61.79 60.14 1m12 h SER 60 Cb 0.21 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1m12 h SER 60 CO 0.01 1.26 -0.27 0.40 -0.53 0.00 0.00 176.83 177.70 1m12 h ILE 61 N 0.05 1.36 -0.90 2.23 2.04 -1.15 -3.14 117.51 117.98 1m12 h ILE 61 Ca -0.14 -1.52 0.12 0.00 1.00 0.00 0.00 64.86 64.32 1m12 h ILE 61 Cb 1.94 1.97 -0.07 0.00 -0.74 0.00 0.00 36.82 39.91 1m12 h ILE 61 CO 0.16 0.45 0.58 -0.07 0.00 0.00 0.00 178.15 179.28 1m12 h LEU 62 N 0.07 0.74 -0.74 1.44 3.38 -1.60 0.37 115.31 118.98 1m12 h LEU 62 Ca 0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1m12 h LEU 62 Cb 0.86 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1m12 h LEU 62 CO 0.06 0.40 0.00 -0.07 0.09 0.00 0.00 178.44 178.92 1m12 h LEU 63 N 0.80 0.00 -2.65 1.67 3.38 -1.63 -2.89 115.31 113.99 1m12 h LEU 63 Ca 0.44 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.25 1m12 h LEU 63 Cb 0.57 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.23 1m12 h LEU 63 CO -0.20 0.00 0.20 1.21 0.09 0.00 0.00 178.44 179.74 1m12 n GLU 64 N -2.50 1.39 -2.88 1.13 4.07 0.13 -4.82 120.64 117.16 1m12 n GLU 64 Ca 0.02 -0.91 -0.15 0.00 -0.06 0.00 0.00 57.16 56.07 1m12 n GLU 64 Cb 0.30 -1.36 -0.01 0.00 -0.06 0.00 0.00 31.44 30.31 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 0.06 -2.74 -3.51 5.31 1.02 -1.09 -4.93 120.64 114.76 1m12 n GLU 65 Ca 0.18 0.40 -0.34 0.00 -0.02 0.00 0.00 57.16 57.37 1m12 n GLU 65 Cb 0.83 -5.01 -0.05 0.00 -0.02 0.00 0.00 31.44 27.18 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 -2.62 5.02 0.57 2.62 1.01 -1.25 -5.04 120.40 120.71 1m12 s VAL 66 Ca 0.18 0.54 -0.20 0.00 0.00 0.00 0.00 61.98 62.51 1m12 s VAL 66 Cb -0.10 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 1m12 s VAL 66 CO 0.22 0.24 0.99 -1.20 0.00 0.00 0.00 175.10 175.35 1m12 n SER 67 N 0.76 0.95 -0.20 3.32 7.64 -1.26 -4.80 113.62 120.03 1m12 n SER 67 Ca -0.06 0.85 -0.06 0.00 1.01 0.00 0.00 58.87 60.60 1m12 n SER 67 Cb 0.52 -1.39 0.09 0.00 -1.01 0.00 0.00 64.21 62.42 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 0.71 1.01 0.00 1.43 0.13 -1.97 -2.78 132.00 130.53 1m12 h PRO 68 Ca -0.48 -0.26 -0.01 0.00 -0.87 0.00 0.00 66.00 64.38 1m12 h PRO 68 Cb 1.36 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1m12 h PRO 68 CO 0.52 0.93 -0.06 1.49 -0.23 0.00 0.00 178.00 180.65 1m12 h GLU 69 N 0.95 0.00 0.00 0.86 4.81 -2.00 -2.34 114.58 116.86 1m12 h GLU 69 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1m12 h GLU 69 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1m12 h GLU 69 CO 0.01 0.06 0.00 -0.07 -0.73 0.00 0.00 179.01 178.29 1m12 h LEU 70 N 0.00 0.00 0.44 1.64 3.38 -1.85 -3.25 115.31 115.67 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 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1m12 h LEU 70 CO 0.01 0.00 -0.21 0.58 0.09 0.00 0.00 178.44 178.91 1m12 h VAL 71 N 0.00 0.47 0.00 1.22 2.07 -1.46 -0.15 116.25 118.40 1m12 h VAL 71 Ca 0.00 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1m12 h VAL 71 Cb 0.50 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1m12 h VAL 71 CO 0.00 0.07 -0.20 0.00 0.02 0.00 0.00 177.57 177.46 1m12 h SER 73 N 0.00 0.66 -0.07 0.00 0.87 -1.57 -2.93 113.55 110.51 1m12 h SER 73 Ca -0.00 -0.52 -0.25 0.00 -1.23 0.00 0.00 61.79 59.79 1m12 h SER 73 Cb 0.42 -0.20 0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1m12 h SER 73 CO 0.03 1.32 -0.93 0.24 -0.53 0.00 0.00 176.83 176.96 1m12 h MET 74 N 0.29 0.75 -0.50 2.24 2.86 -0.74 -3.13 114.93 116.71 1m12 h MET 74 Ca -0.09 -0.72 0.00 0.00 -2.06 0.00 0.00 59.70 56.83 1m12 h MET 74 Cb 1.61 0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.45 1m12 h MET 74 CO 0.18 1.30 0.00 1.28 1.06 0.00 0.00 176.91 180.73 1m12 n LEU 75 N -3.89 0.50 -1.02 1.22 4.77 -0.86 -4.76 117.00 112.97 1m12 n LEU 75 Ca -0.09 -0.25 -0.06 0.00 -0.03 0.00 0.00 56.01 55.58 1m12 n LEU 75 Cb 0.82 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1m12 n LEU 75 CO 0.55 0.12 -0.06 0.00 -1.33 0.00 0.00 177.39 176.67 1m12 n HIS 76 N 0.06 -0.55 0.84 -1.77 1.44 -1.18 -4.69 115.22 109.37 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 0.12 -1.73 0.49 0.00 0.12 0.00 0.00 29.99 29.00 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 -1.24 0.36 -4.20 2.39 4.77 -1.18 -4.80 117.00 113.10 1m12 n LEU 77 Ca -0.06 0.48 -0.17 0.00 -0.03 0.00 0.00 56.01 56.22 1m12 n LEU 77 Cb 0.23 -0.40 -0.11 0.00 -2.33 0.00 0.00 43.42 40.80 1m12 n LEU 77 CO 0.09 -0.06 -0.45 0.00 -1.33 0.00 0.00 177.39 175.65 1m12 h SER 79 N 3.86 0.00 -2.52 0.00 4.64 -1.90 -3.45 113.55 114.17 1m12 h SER 79 Ca -0.40 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.00 1m12 h SER 79 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1m12 h SER 79 CO 0.46 0.00 -0.11 0.61 -0.87 0.00 0.00 176.83 176.93 1m12 n GLY 80 N -1.51 -1.56 0.44 -0.77 0.00 -1.26 -3.28 105.19 97.26 1m12 n GLY 80 Ca -0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 0.81 -4.05 0.99 4.77 -1.26 -4.52 117.00 113.74 1m12 n LEU 81 Ca 0.00 -0.41 -0.34 0.00 -0.03 0.00 0.00 56.01 55.24 1m12 n LEU 81 Cb 0.13 -0.41 -0.12 0.00 -2.33 0.00 0.00 43.42 40.69 1m12 n LEU 81 CO 0.00 0.20 -0.15 -0.69 -1.33 0.00 0.00 177.39 175.43 1m12 s VAL 82 N -1.12 3.02 0.00 4.08 1.01 -1.21 -4.96 120.40 121.22 1m12 s VAL 82 Ca 0.00 -2.67 -0.00 0.00 0.00 0.00 0.00 61.98 59.30 1m12 s VAL 82 Cb 0.00 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1m12 s VAL 82 CO 0.00 -0.75 0.80 -0.81 0.00 0.00 0.00 175.10 174.35 1m12 n PRO 83 N 3.86 0.39 -0.35 2.72 -0.05 -1.26 -4.94 135.00 135.37 1m12 n PRO 83 Ca 0.04 -0.04 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 1m12 n PRO 83 Cb 0.38 -1.36 0.00 0.00 -0.05 0.00 0.00 33.50 32.47 1m12 n PRO 83 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 175.50 173.32