#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pg1 s ALA 6 N 0.00 3.53 -0.25 0.58 0.00 -1.26 -4.68 121.76 119.67 2pg1 s ALA 6 Ca 0.00 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.90 2pg1 s ALA 6 Cb 0.00 -1.38 0.06 0.00 0.00 0.00 0.00 23.12 21.79 2pg1 s ALA 6 CO 0.00 0.68 -0.11 0.08 0.00 0.00 0.00 175.76 176.41 2pg1 s VAL 7 N -1.48 2.08 -0.52 0.00 1.01 -0.55 -4.99 120.40 115.95 2pg1 s VAL 7 Ca 0.29 -1.52 -0.26 0.00 0.00 0.00 0.00 61.98 60.50 2pg1 s VAL 7 Cb -0.12 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.12 2pg1 s VAL 7 CO 0.22 0.02 0.99 -0.63 0.00 0.00 0.00 175.10 175.70 2pg1 s ILE 8 N 1.15 4.34 -0.03 2.22 1.01 -1.26 -0.57 121.20 128.07 2pg1 s ILE 8 Ca -0.07 0.62 -0.11 0.00 0.00 0.00 0.00 60.65 61.08 2pg1 s ILE 8 Cb -0.19 -4.54 -0.06 0.00 0.01 0.00 0.00 42.46 37.68 2pg1 s ILE 8 CO -0.06 -1.04 0.52 0.50 0.00 0.00 0.00 174.94 174.86 2pg1 h LYS 9 N 9.26 -0.38 -3.79 2.79 1.63 -1.58 -3.47 116.57 121.03 2pg1 h LYS 9 Ca -0.25 0.03 -0.30 0.00 -0.85 0.00 0.00 60.65 59.28 2pg1 h LYS 9 Cb 1.07 0.09 -0.31 0.00 -0.60 0.00 0.00 32.23 32.47 2pg1 h LYS 9 CO 1.08 -0.25 -0.74 1.21 -3.45 0.00 0.00 179.45 177.30 2pg1 s ASN 10 N -4.52 0.27 -0.08 4.20 2.47 -0.83 -5.02 114.94 111.44 2pg1 s ASN 10 Ca -0.06 -0.02 -0.19 0.00 0.42 0.00 0.00 52.86 53.01 2pg1 s ASN 10 Cb 0.01 -0.11 0.04 0.00 -1.45 0.00 0.00 41.25 39.74 2pg1 s ASN 10 CO 0.17 -0.05 0.46 0.00 -3.72 0.00 0.00 177.10 173.96 2pg1 s ALA 11 N 0.55 -1.16 -0.41 1.71 0.00 -1.26 -0.60 121.76 120.59 2pg1 s ALA 11 Ca -0.05 0.92 0.02 0.00 0.00 0.00 0.00 51.96 52.85 2pg1 s ALA 11 Cb -0.08 -0.24 0.15 0.00 0.00 0.00 0.00 23.12 22.95 2pg1 s ALA 11 CO -0.01 -0.28 0.28 0.34 0.00 0.00 0.00 175.76 176.09 2pg1 s ASP 12 N -0.75 2.59 -0.25 0.00 2.15 -0.33 -5.01 116.67 115.06 2pg1 s ASP 12 Ca -0.08 -2.69 -0.26 0.00 0.43 0.00 0.00 52.55 49.94 2pg1 s ASP 12 Cb -0.03 -0.58 0.14 0.00 -0.30 0.00 0.00 42.92 42.14 2pg1 s ASP 12 CO 0.04 -0.24 1.09 -0.32 -0.17 0.00 0.00 175.17 175.58 2pg1 s MET 13 N 0.43 0.45 0.88 4.34 1.75 -1.26 -1.73 119.30 124.16 2pg1 s MET 13 Ca 0.24 0.39 -0.13 0.00 -1.25 0.00 0.00 55.69 54.94 2pg1 s MET 13 Cb -0.12 0.22 0.05 0.00 2.84 0.00 0.00 34.83 37.82 2pg1 s MET 13 CO -0.08 -0.08 0.67 -1.13 -0.65 0.00 0.00 175.02 173.75 2pg1 n SER 14 N 1.69 -1.05 -0.11 1.11 3.41 -1.26 -4.73 113.62 112.68 2pg1 n SER 14 Ca -0.11 0.43 -0.10 0.00 -0.26 0.00 0.00 58.87 58.83 2pg1 n SER 14 Cb 0.57 -1.30 -0.03 0.00 -0.26 0.00 0.00 64.21 63.19 2pg1 n SER 14 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2pg1 h GLU 15 N -1.29 0.51 -0.64 4.33 4.39 -2.00 -1.17 114.58 118.71 2pg1 h GLU 15 Ca -0.44 -0.12 0.05 0.00 0.34 0.00 0.00 59.36 59.19 2pg1 h GLU 15 Cb 1.29 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.83 2pg1 h GLU 15 CO 0.39 0.58 0.36 1.49 -1.16 0.00 0.00 179.01 180.66 2pg1 h GLU 16 N 0.35 0.65 -0.40 2.33 4.81 -2.00 -0.67 114.58 119.64 2pg1 h GLU 16 Ca 0.10 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2pg1 h GLU 16 Cb 0.30 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2pg1 h GLU 16 CO 0.00 0.43 0.14 1.98 -0.73 0.00 0.00 179.01 180.82 2pg1 h MET 17 N 0.66 0.61 -0.96 1.92 4.05 -1.88 -2.20 114.93 117.13 2pg1 h MET 17 Ca 0.28 -0.12 0.11 0.00 -0.28 0.00 0.00 59.70 59.69 2pg1 h MET 17 Cb 0.17 -0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 30.80 2pg1 h MET 17 CO -0.17 0.60 0.61 1.96 0.23 0.00 0.00 176.91 180.14 2pg1 h GLN 18 N 0.50 0.92 -0.37 0.39 4.20 -0.13 1.00 115.11 121.61 2pg1 h GLN 18 Ca 0.13 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 2pg1 h GLN 18 Cb 0.23 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2pg1 h GLN 18 CO -0.01 0.61 0.05 0.37 -0.67 0.00 0.00 178.83 179.18 2pg1 h GLN 19 N 0.94 0.62 -0.94 1.46 5.75 -0.74 -2.17 115.11 120.03 2pg1 h GLN 19 Ca 0.47 -0.17 -0.00 0.00 -0.15 0.00 0.00 58.65 58.80 2pg1 h GLN 19 Cb 0.48 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.91 2pg1 h GLN 19 CO -0.23 0.69 0.58 -0.44 -2.65 0.00 0.00 178.83 176.78 2pg1 h ASP 20 N 0.46 1.12 -0.48 -0.69 3.32 -0.62 0.15 116.42 119.67 2pg1 h ASP 20 Ca 0.11 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.13 2pg1 h ASP 20 Cb 0.37 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2pg1 h ASP 20 CO 0.01 0.84 0.27 0.00 -1.72 0.00 0.00 179.24 178.65 2pg1 h ALA 21 N 1.35 0.61 -0.32 3.45 0.00 -0.55 0.37 119.26 124.17 2pg1 h ALA 21 Ca 0.34 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 2pg1 h ALA 21 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2pg1 h ALA 21 CO -0.07 -0.04 -0.03 0.28 0.00 0.00 0.00 179.25 179.39 2pg1 h VAL 22 N 0.55 1.27 -0.59 0.00 2.07 -0.72 -1.64 116.25 117.18 2pg1 h VAL 22 Ca 0.20 -1.03 -0.11 0.00 0.82 0.00 0.00 66.70 66.58 2pg1 h VAL 22 Cb 0.04 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2pg1 h VAL 22 CO -0.10 0.33 -0.04 0.44 0.02 0.00 0.00 177.57 178.22 2pg1 h ASP 23 N 0.37 1.06 -0.24 0.57 3.32 -0.41 0.27 116.42 121.36 2pg1 h ASP 23 Ca 0.09 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 2pg1 h ASP 23 Cb 0.50 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2pg1 h ASP 23 CO 0.02 1.13 0.13 0.00 -1.72 0.00 0.00 179.24 178.80 2pg1 h ALA 25 N 1.02 1.21 -0.95 0.00 0.00 -1.11 -2.22 119.26 117.21 2pg1 h ALA 25 Ca 0.08 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.82 2pg1 h ALA 25 Cb 0.06 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 2pg1 h ALA 25 CO -0.01 0.52 0.60 1.15 0.00 0.00 0.00 179.25 181.50 2pg1 h THR 26 N 0.60 1.03 -0.13 0.00 2.02 -0.54 -1.19 112.91 114.70 2pg1 h THR 26 Ca 0.12 -0.36 -0.20 0.00 0.77 0.00 0.00 66.41 66.74 2pg1 h THR 26 Cb 0.43 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2pg1 h THR 26 CO 0.02 0.19 -0.72 1.56 0.37 0.00 0.00 175.52 176.94 2pg1 h GLN 27 N 1.06 0.60 -0.97 6.66 4.20 -1.22 -2.79 115.11 122.65 2pg1 h GLN 27 Ca 0.42 -0.47 0.10 0.00 0.06 0.00 0.00 58.65 58.76 2pg1 h GLN 27 Cb 0.23 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 28.03 2pg1 h GLN 27 CO -0.19 1.10 0.61 0.00 -0.67 0.00 0.00 178.83 179.67 2pg1 h ALA 28 N 0.78 1.41 0.00 3.87 0.00 -0.70 0.11 119.26 124.72 2pg1 h ALA 28 Ca -0.03 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2pg1 h ALA 28 Cb 1.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2pg1 h ALA 28 CO 0.14 0.28 -0.38 -0.07 0.00 0.00 0.00 179.25 179.22 2pg1 h LEU 29 N 1.02 0.00 -0.32 0.00 3.38 -1.16 0.86 115.31 119.08 2pg1 h LEU 29 Ca 0.46 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.34 2pg1 h LEU 29 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2pg1 h LEU 29 CO -0.23 0.38 -0.43 -0.33 0.09 0.00 0.00 178.44 177.92 2pg1 h GLU 30 N 0.00 0.00 0.00 1.13 5.08 -0.58 -3.31 114.58 116.90 2pg1 h GLU 30 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pg1 h GLU 30 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2pg1 h GLU 30 CO 0.05 0.43 -1.36 1.63 -1.00 0.00 0.00 179.01 178.75 2pg1 n LYS 31 N -3.30 0.96 -4.04 2.33 5.02 -0.35 -5.02 118.16 113.77 2pg1 n LYS 31 Ca 0.01 -0.09 -0.12 0.00 -2.02 0.00 0.00 58.31 56.09 2pg1 n LYS 31 Cb 0.65 -1.34 -0.12 0.00 -0.02 0.00 0.00 35.03 34.20 2pg1 n LYS 31 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2pg1 s TYR 32 N -2.91 0.52 -0.22 2.13 2.02 0.28 -5.03 117.35 114.13 2pg1 s TYR 32 Ca -0.01 -0.47 -0.09 0.00 -0.37 0.00 0.00 57.07 56.13 2pg1 s TYR 32 Cb 0.11 -0.32 -0.10 0.00 -0.40 0.00 0.00 41.96 41.25 2pg1 s TYR 32 CO 0.68 -0.11 -0.27 0.09 -1.57 0.00 0.00 175.55 174.38 2pg1 n ASN 33 N 1.65 1.73 -4.69 2.29 3.02 -1.26 -4.53 115.26 113.47 2pg1 n ASN 33 Ca -0.22 0.20 -0.42 0.00 -0.03 0.00 0.00 54.58 54.11 2pg1 n ASN 33 Cb 0.55 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 2pg1 n ASN 33 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pg1 s ILE 34 N -2.41 3.29 0.23 2.41 1.01 -1.26 -4.92 121.20 119.54 2pg1 s ILE 34 Ca -0.31 0.73 -0.11 0.00 0.00 0.00 0.00 60.65 60.97 2pg1 s ILE 34 Cb 0.11 -3.47 0.26 0.00 0.01 0.00 0.00 42.46 39.37 2pg1 s ILE 34 CO 0.41 0.00 1.63 -0.33 0.00 0.00 0.00 174.94 176.65 2pg1 h GLU 35 N 8.04 0.04 -0.19 2.79 5.08 -1.92 -1.14 114.58 127.28 2pg1 h GLU 35 Ca -0.41 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.98 2pg1 h GLU 35 Cb 1.19 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2pg1 h GLU 35 CO 0.92 0.03 0.13 1.57 -1.00 0.00 0.00 179.01 180.66 2pg1 h LYS 36 N 0.04 0.10 -0.01 2.33 2.10 -1.91 -0.83 116.57 118.40 2pg1 h LYS 36 Ca 0.36 -0.01 -0.19 0.00 -2.00 0.00 0.00 60.65 58.81 2pg1 h LYS 36 Cb 0.58 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 2pg1 h LYS 36 CO -0.67 0.07 -0.85 -0.44 -2.00 0.00 0.00 179.45 175.55 2pg1 h ASP 37 N 0.11 0.28 -0.09 7.07 3.32 -1.61 -1.01 116.42 124.49 2pg1 h ASP 37 Ca 0.08 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 2pg1 h ASP 37 Cb 0.20 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 2pg1 h ASP 37 CO -0.01 1.01 -0.00 0.40 -1.72 0.00 0.00 179.24 178.91 2pg1 h ILE 38 N 0.13 1.25 0.07 0.35 2.04 -1.01 -1.47 117.51 118.87 2pg1 h ILE 38 Ca -0.04 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.03 2pg1 h ILE 38 Cb 1.47 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 39.14 2pg1 h ILE 38 CO 0.13 0.23 -0.22 0.00 0.00 0.00 0.00 178.15 178.28 2pg1 h ALA 39 N 0.73 -0.35 -0.49 1.87 0.00 -1.16 -1.20 119.26 118.67 2pg1 h ALA 39 Ca 0.02 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.01 2pg1 h ALA 39 Cb 0.35 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 2pg1 h ALA 39 CO 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 179.25 178.38 2pg1 h ALA 40 N 0.42 0.31 -0.02 0.00 0.00 -1.08 0.00 119.26 118.88 2pg1 h ALA 40 Ca 0.04 0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2pg1 h ALA 40 Cb 0.44 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2pg1 h ALA 40 CO -0.15 -0.45 -0.19 -0.92 0.00 0.00 0.00 179.25 177.53 2pg1 h TYR 41 N -0.01 -0.51 0.32 0.00 3.20 -0.73 -0.96 116.97 118.29 2pg1 h TYR 41 Ca 0.23 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 2pg1 h TYR 41 Cb 0.37 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2pg1 h TYR 41 CO -0.42 -0.28 -0.33 0.82 -1.64 0.00 0.00 178.16 176.32 2pg1 h ILE 42 N -0.30 0.32 -0.29 1.81 1.08 -0.48 -2.13 117.51 117.52 2pg1 h ILE 42 Ca 0.07 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.60 2pg1 h ILE 42 Cb 0.39 0.32 -0.07 0.00 -3.07 0.00 0.00 36.82 34.39 2pg1 h ILE 42 CO -0.20 0.00 -0.21 0.50 -0.69 0.00 0.00 178.15 177.55 2pg1 h LYS 43 N -0.68 -0.19 0.15 2.37 3.11 -0.85 -2.10 116.57 118.38 2pg1 h LYS 43 Ca -0.02 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.85 2pg1 h LYS 43 Cb 0.62 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.86 2pg1 h LYS 43 CO -0.06 -0.12 -0.30 0.87 -2.81 0.00 0.00 179.45 177.02 2pg1 h LYS 44 N -0.19 -0.51 -0.96 1.90 1.57 -1.02 0.16 116.57 117.52 2pg1 h LYS 44 Ca 0.15 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 59.07 2pg1 h LYS 44 Cb 0.43 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.78 2pg1 h LYS 44 CO -0.40 -0.34 0.62 0.93 -0.57 0.00 0.00 179.45 179.68 2pg1 h GLU 45 N -0.53 0.95 -0.22 3.15 4.39 -1.18 0.69 114.58 121.83 2pg1 h GLU 45 Ca 0.02 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.52 2pg1 h GLU 45 Cb 0.55 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2pg1 h GLU 45 CO -0.15 0.63 -0.45 0.74 -1.16 0.00 0.00 179.01 178.62 2pg1 h PHE 46 N 0.98 0.87 -0.87 4.33 -1.00 -0.87 0.35 116.94 120.74 2pg1 h PHE 46 Ca 0.45 -0.32 0.00 0.00 2.81 0.00 0.00 57.97 60.92 2pg1 h PHE 46 Cb 0.41 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 39.76 2pg1 h PHE 46 CO -0.00 1.10 0.56 -0.44 -1.61 0.00 0.00 178.31 177.91 2pg1 h ASP 47 N 0.40 1.02 -0.24 2.17 3.32 -0.01 0.54 116.42 123.61 2pg1 h ASP 47 Ca 0.01 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.86 2pg1 h ASP 47 Cb 1.05 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 2pg1 h ASP 47 CO 0.10 0.75 -0.43 0.50 -1.72 0.00 0.00 179.24 178.44 2pg1 h LYS 48 N 1.19 0.80 0.01 3.56 3.64 -0.68 -1.06 116.57 124.02 2pg1 h LYS 48 Ca 0.32 -0.44 -0.32 0.00 -1.27 0.00 0.00 60.65 58.94 2pg1 h LYS 48 Cb -0.10 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 2pg1 h LYS 48 CO -0.07 1.07 -1.93 1.17 -2.27 0.00 0.00 179.45 177.43 2pg1 n LYS 49 N -4.03 0.66 -0.28 1.90 4.81 0.12 -4.41 118.16 116.93 2pg1 n LYS 49 Ca -0.02 0.22 0.08 0.00 -0.87 0.00 0.00 58.31 57.71 2pg1 n LYS 49 Cb 0.56 -1.71 0.18 0.00 0.02 0.00 0.00 35.03 34.08 2pg1 n LYS 49 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2pg1 n TYR 50 N -3.03 0.29 -1.21 5.64 4.02 0.19 -5.06 117.16 117.99 2pg1 n TYR 50 Ca -0.23 -1.08 0.00 0.00 -0.01 0.00 0.00 57.90 56.57 2pg1 n TYR 50 Cb 1.08 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 40.17 2pg1 n TYR 50 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2pg1 n ASN 51 N -1.17 -6.53 -4.69 7.72 4.13 -0.40 -4.89 115.26 109.43 2pg1 n ASN 51 Ca 0.19 1.44 -0.31 0.00 1.68 0.00 0.00 54.58 57.58 2pg1 n ASN 51 Cb 0.73 -3.69 0.16 0.00 -1.54 0.00 0.00 39.78 35.44 2pg1 n ASN 51 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 2pg1 s PRO 52 N -5.09 1.19 -0.16 3.52 0.02 -1.23 -4.55 135.00 128.70 2pg1 s PRO 52 Ca 0.00 1.45 0.01 0.00 0.02 0.00 0.00 61.00 62.48 2pg1 s PRO 52 Cb 0.00 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.77 2pg1 s PRO 52 CO 0.00 -2.48 -0.17 0.99 -0.33 0.00 0.00 177.00 175.01 2pg1 s THR 53 N -2.69 2.44 0.23 0.99 2.01 -1.26 -4.98 115.64 112.38 2pg1 s THR 53 Ca 0.66 -0.84 0.07 0.00 0.31 0.00 0.00 61.69 61.89 2pg1 s THR 53 Cb -0.22 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 2pg1 s THR 53 CO 0.58 0.52 0.15 0.26 -0.69 0.00 0.00 174.62 175.44 2pg1 s TRP 54 N 0.95 3.05 -0.00 4.92 0.52 -1.26 -1.48 118.94 125.63 2pg1 s TRP 54 Ca -0.03 -0.11 -0.00 0.00 0.02 0.00 0.00 56.10 55.97 2pg1 s TRP 54 Cb -0.15 -1.39 0.00 0.00 -1.15 0.00 0.00 33.47 30.78 2pg1 s TRP 54 CO -0.03 0.53 0.01 -1.01 0.02 0.00 0.00 176.95 176.48 2pg1 s HIS 55 N -2.07 -0.01 -0.03 -1.98 3.76 -0.21 -4.97 115.29 109.79 2pg1 s HIS 55 Ca 0.32 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.25 2pg1 s HIS 55 Cb -0.08 -0.00 0.03 0.00 1.11 0.00 0.00 32.58 33.64 2pg1 s HIS 55 CO 0.24 -0.01 0.00 0.00 -0.85 0.00 0.00 174.74 174.12 2pg1 s ILE 57 N 0.99 1.84 -0.07 0.00 -1.09 -0.13 -4.84 121.20 117.89 2pg1 s ILE 57 Ca -0.10 -0.87 0.03 0.00 -2.23 0.00 0.00 60.65 57.48 2pg1 s ILE 57 Cb -0.13 -1.62 0.01 0.00 -1.58 0.00 0.00 42.46 39.13 2pg1 s ILE 57 CO -0.02 0.51 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.35 2pg1 s VAL 58 N 0.62 1.40 -0.03 2.92 1.01 -1.26 -0.98 120.40 124.07 2pg1 s VAL 58 Ca -0.13 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 2pg1 s VAL 58 Cb -0.17 -1.24 0.04 0.00 0.00 0.00 0.00 36.38 35.02 2pg1 s VAL 58 CO 0.04 0.41 0.61 0.61 0.00 0.00 0.00 175.10 176.77 2pg1 n GLY 59 N 3.57 0.33 0.00 4.51 0.00 -0.87 -4.76 105.19 107.97 2pg1 n GLY 59 Ca -0.21 -0.91 0.02 0.00 0.00 0.00 0.00 46.02 44.92 2pg1 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pg1 n ARG 60 N -0.44 2.82 -3.42 1.61 1.74 -1.26 -0.38 116.66 117.33 2pg1 n ARG 60 Ca 0.03 -0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 56.94 2pg1 n ARG 60 Cb 0.26 -0.88 -0.10 0.00 -1.02 0.00 0.00 32.46 30.72 2pg1 n ARG 60 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2pg1 s ASN 61 N -1.89 1.20 -0.30 0.55 3.84 -1.26 -4.98 114.94 112.10 2pg1 s ASN 61 Ca -0.00 -0.34 -0.29 0.00 0.21 0.00 0.00 52.86 52.45 2pg1 s ASN 61 Cb 0.02 0.62 0.20 0.00 -0.55 0.00 0.00 41.25 41.54 2pg1 s ASN 61 CO 0.14 -0.35 1.40 0.72 -2.79 0.00 0.00 177.10 176.22 2pg1 s PHE 62 N 2.40 -0.01 0.27 0.43 -0.12 -1.26 -5.17 117.98 114.51 2pg1 s PHE 62 Ca 0.09 0.03 0.11 0.00 -0.05 0.00 0.00 56.93 57.11 2pg1 s PHE 62 Cb -0.15 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.69 2pg1 s PHE 62 CO -0.22 -0.01 -0.11 0.20 -0.05 0.00 0.00 175.22 175.03 2pg1 s GLY 63 N -0.89 1.78 -0.00 1.99 0.00 -1.26 -5.14 107.32 103.80 2pg1 s GLY 63 Ca 0.09 -1.77 -0.19 0.00 0.00 0.00 0.00 44.72 42.86 2pg1 s GLY 63 CO -0.10 -1.85 0.40 -1.35 0.00 0.00 0.00 173.10 170.21 2pg1 s SER 64 N -3.57 -0.30 -0.25 1.64 1.04 -1.26 -5.11 113.70 105.90 2pg1 s SER 64 Ca 0.30 0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.89 2pg1 s SER 64 Cb -0.06 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.53 2pg1 s SER 64 CO 0.17 -0.54 0.06 -0.47 0.98 0.00 0.00 173.24 173.44 2pg1 s TYR 65 N -1.63 1.40 0.11 5.02 5.04 -1.26 -5.13 117.35 120.90 2pg1 s TYR 65 Ca -0.11 -1.32 0.05 0.00 -2.44 0.00 0.00 57.07 53.25 2pg1 s TYR 65 Cb -0.03 -1.37 -0.04 0.00 0.35 0.00 0.00 41.96 40.88 2pg1 s TYR 65 CO 0.03 -0.75 -0.12 0.14 -1.34 0.00 0.00 175.55 173.51 2pg1 s VAL 66 N 1.73 1.16 -0.14 3.14 -7.23 -1.26 -5.15 120.40 112.65 2pg1 s VAL 66 Ca 0.04 -1.67 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 2pg1 s VAL 66 Cb -0.17 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 2pg1 s VAL 66 CO -0.17 -0.47 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.19 2pg1 s THR 67 N -2.24 3.64 0.24 5.32 2.01 -1.26 -5.12 115.64 118.24 2pg1 s THR 67 Ca 0.07 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.65 2pg1 s THR 67 Cb -0.04 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 2pg1 s THR 67 CO 0.02 0.51 0.01 -1.38 -0.69 0.00 0.00 174.62 173.09 2pg1 s HIS 68 N 0.23 1.61 0.20 4.92 -3.43 -1.26 -4.71 115.29 112.86 2pg1 s HIS 68 Ca -0.04 -0.93 -0.30 0.00 -0.80 0.00 0.00 55.06 52.98 2pg1 s HIS 68 Cb -0.14 -0.95 -0.08 0.00 -1.43 0.00 0.00 32.58 29.98 2pg1 s HIS 68 CO 0.04 -0.04 0.98 -1.21 -2.00 0.00 0.00 174.74 172.50 2pg1 s GLU 69 N -3.87 4.77 0.12 -0.38 2.02 -0.63 -4.95 118.70 115.77 2pg1 s GLU 69 Ca 0.30 1.53 -0.35 0.00 0.02 0.00 0.00 54.97 56.47 2pg1 s GLU 69 Cb 0.06 -3.30 -0.17 0.00 0.10 0.00 0.00 34.13 30.82 2pg1 s GLU 69 CO 0.10 0.36 1.12 -2.37 0.02 0.00 0.00 175.26 174.49 2pg1 n THR 70 N 1.93 0.62 -1.27 3.63 5.66 -1.26 -1.37 114.28 122.21 2pg1 n THR 70 Ca -0.00 -0.15 -0.09 0.00 -3.05 0.00 0.00 64.05 60.75 2pg1 n THR 70 Cb 0.47 -0.58 -0.04 0.00 -1.55 0.00 0.00 70.33 68.63 2pg1 n THR 70 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2pg1 n ARG 71 N 1.79 -0.83 -3.21 1.09 1.74 -1.25 -4.93 116.66 111.07 2pg1 n ARG 71 Ca 0.17 0.79 -0.23 0.00 -0.77 0.00 0.00 57.85 57.81 2pg1 n ARG 71 Cb 0.20 -4.74 -0.06 0.00 -1.02 0.00 0.00 32.46 26.84 2pg1 n ARG 71 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2pg1 n HIS 72 N -2.64 0.75 -3.68 -1.55 8.25 -0.47 -4.17 115.22 111.71 2pg1 n HIS 72 Ca -0.09 -3.75 -0.12 0.00 -0.26 0.00 0.00 57.72 53.49 2pg1 n HIS 72 Cb 0.35 -0.41 -0.09 0.00 1.12 0.00 0.00 29.99 30.96 2pg1 n HIS 72 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2pg1 s PHE 73 N -1.89 -0.69 -0.25 4.41 2.19 -0.71 -2.25 117.98 118.79 2pg1 s PHE 73 Ca 0.38 1.57 -0.19 0.00 0.33 0.00 0.00 56.93 59.02 2pg1 s PHE 73 Cb 0.22 0.29 0.07 0.00 -1.31 0.00 0.00 43.02 42.29 2pg1 s PHE 73 CO -0.09 -0.34 0.66 -1.50 1.83 0.00 0.00 175.22 175.77 2pg1 s ILE 74 N 0.70 -0.00 -0.16 3.12 2.07 -0.99 -1.19 121.20 124.75 2pg1 s ILE 74 Ca -0.03 0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.20 2pg1 s ILE 74 Cb -0.05 -0.93 0.05 0.00 0.13 0.00 0.00 42.46 41.66 2pg1 s ILE 74 CO -0.05 0.00 -0.01 -0.47 -1.91 0.00 0.00 174.94 172.51 2pg1 s TYR 75 N 0.92 1.24 0.09 3.50 5.04 0.23 -1.83 117.35 126.55 2pg1 s TYR 75 Ca -0.05 -0.82 -0.04 0.00 -2.44 0.00 0.00 57.07 53.72 2pg1 s TYR 75 Cb -0.05 -1.10 -0.03 0.00 0.35 0.00 0.00 41.96 41.13 2pg1 s TYR 75 CO -0.08 -0.56 0.09 -0.59 -1.34 0.00 0.00 175.55 173.07 2pg1 s PHE 76 N 1.79 0.46 -0.08 4.97 -0.71 -0.54 -1.38 117.98 122.48 2pg1 s PHE 76 Ca 0.01 -0.92 -0.04 0.00 -1.04 0.00 0.00 56.93 54.94 2pg1 s PHE 76 Cb -0.15 -0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.35 2pg1 s PHE 76 CO -0.07 -0.49 0.08 0.71 -1.34 0.00 0.00 175.22 174.10 2pg1 s TYR 77 N -3.93 3.37 -0.24 3.49 2.02 0.27 0.02 117.35 122.35 2pg1 s TYR 77 Ca 0.11 0.34 -0.20 0.00 -0.37 0.00 0.00 57.07 56.94 2pg1 s TYR 77 Cb 0.06 -1.84 0.07 0.00 -0.40 0.00 0.00 41.96 39.85 2pg1 s TYR 77 CO -0.07 0.60 0.64 -1.17 -1.57 0.00 0.00 175.55 173.97 2pg1 s LEU 78 N -1.13 -0.53 0.00 -1.29 2.96 -0.63 -1.49 118.68 116.57 2pg1 s LEU 78 Ca 0.16 1.31 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 2pg1 s LEU 78 Cb -0.12 2.18 0.00 0.00 0.50 0.00 0.00 46.19 48.75 2pg1 s LEU 78 CO 0.06 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 2pg1 n GLY 79 N 3.19 3.54 1.28 7.98 0.00 -1.26 -1.75 105.19 118.16 2pg1 n GLY 79 Ca -0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 2pg1 n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pg1 n GLN 80 N 13.98 2.62 -4.14 1.61 1.13 -1.26 -4.99 117.38 126.32 2pg1 n GLN 80 Ca 0.00 -3.03 -0.10 0.00 -1.94 0.00 0.00 57.00 51.94 2pg1 n GLN 80 Cb 0.00 -1.92 -0.10 0.00 0.11 0.00 0.00 30.24 28.32 2pg1 n GLN 80 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2pg1 s VAL 81 N -3.05 0.54 -0.07 5.09 -7.23 -0.72 -4.77 120.40 110.19 2pg1 s VAL 81 Ca 0.46 -1.84 -0.04 0.00 -1.81 0.00 0.00 61.98 58.75 2pg1 s VAL 81 Cb 0.39 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 2pg1 s VAL 81 CO 0.06 -0.88 0.12 0.00 -0.31 0.00 0.00 175.10 174.09 2pg1 s ALA 82 N -3.56 3.76 -0.11 1.32 0.00 0.49 -1.60 121.76 122.07 2pg1 s ALA 82 Ca 0.09 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.34 2pg1 s ALA 82 Cb 0.05 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.37 2pg1 s ALA 82 CO -0.06 0.66 -0.16 0.42 0.00 0.00 0.00 175.76 176.61 2pg1 s ILE 83 N -1.10 1.57 -0.18 0.00 1.01 0.10 -2.05 121.20 120.55 2pg1 s ILE 83 Ca 0.19 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 2pg1 s ILE 83 Cb -0.12 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 2pg1 s ILE 83 CO 0.09 0.45 -0.10 -0.22 0.00 0.00 0.00 174.94 175.16 2pg1 s LEU 84 N 0.86 2.69 -0.18 2.97 2.96 -0.15 -1.47 118.68 126.36 2pg1 s LEU 84 Ca -0.09 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 53.36 2pg1 s LEU 84 Cb -0.15 -1.65 0.07 0.00 0.50 0.00 0.00 46.19 44.96 2pg1 s LEU 84 CO 0.00 0.05 0.10 -0.22 -1.32 0.00 0.00 176.35 174.97 2pg1 s LEU 85 N 1.02 0.32 0.17 -0.68 2.96 -0.76 -0.96 118.68 120.76 2pg1 s LEU 85 Ca -0.01 -0.64 -0.00 0.00 -0.22 0.00 0.00 54.13 53.26 2pg1 s LEU 85 Cb -0.15 -0.20 -0.04 0.00 0.50 0.00 0.00 46.19 46.30 2pg1 s LEU 85 CO -0.02 -0.36 0.07 0.72 -1.32 0.00 0.00 176.35 175.45 2pg1 s PHE 86 N 2.15 1.08 -0.09 5.38 -0.71 -0.87 -2.35 117.98 122.57 2pg1 s PHE 86 Ca 0.03 -1.24 0.00 0.00 -1.04 0.00 0.00 56.93 54.69 2pg1 s PHE 86 Cb -0.16 -0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 41.04 2pg1 s PHE 86 CO -0.12 -0.48 -0.09 0.21 -1.34 0.00 0.00 175.22 173.40 2pg1 s LYS 87 N -4.06 3.02 -0.30 1.99 2.20 -0.96 -1.04 119.74 120.60 2pg1 s LYS 87 Ca 0.30 -0.61 -0.06 0.00 -0.36 0.00 0.00 55.97 55.25 2pg1 s LYS 87 Cb 0.07 -2.61 0.19 0.00 -1.51 0.00 0.00 37.83 33.97 2pg1 s LYS 87 CO 0.06 0.47 0.85 0.45 -0.36 0.00 0.00 175.35 176.83 2pg1 s SER 88 N -0.30 -0.91 0.00 1.43 0.15 -0.55 -1.61 113.70 111.91 2pg1 s SER 88 Ca 0.04 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2pg1 s SER 88 Cb -0.13 1.65 0.00 0.00 -1.71 0.00 0.00 66.02 65.83 2pg1 s SER 88 CO 0.03 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.91