#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 3.61 -0.18 7.82 0.00 -1.26 -3.55 121.76 128.20 2pg1 s ALA 6 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2pg1 s ALA 6 Cb 0.00 -2.58 0.04 0.00 0.00 0.00 0.00 23.12 20.58 2pg1 s ALA 6 CO 0.00 0.42 -0.10 0.08 0.00 0.00 0.00 175.76 176.16 2pg1 s VAL 7 N -1.11 1.49 -0.62 0.00 1.01 -0.05 -4.96 120.40 116.15 2pg1 s VAL 7 Ca 0.28 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 2pg1 s VAL 7 Cb -0.19 -1.55 0.07 0.00 0.00 0.00 0.00 36.38 34.71 2pg1 s VAL 7 CO 0.18 0.23 0.92 -0.63 0.00 0.00 0.00 175.10 175.79 2pg1 s ILE 8 N 1.48 4.40 0.05 2.22 1.01 -1.26 0.17 121.20 129.26 2pg1 s ILE 8 Ca 0.01 -0.29 -0.17 0.00 0.00 0.00 0.00 60.65 60.19 2pg1 s ILE 8 Cb -0.15 -4.62 -0.19 0.00 0.01 0.00 0.00 42.46 37.51 2pg1 s ILE 8 CO -0.09 -1.33 1.22 0.50 0.00 0.00 0.00 174.94 175.24 2pg1 h LYS 9 N 9.46 0.55 -2.63 2.79 1.63 -1.79 -3.46 116.57 123.13 2pg1 h LYS 9 Ca -0.28 -0.48 -0.12 0.00 -0.85 0.00 0.00 60.65 58.93 2pg1 h LYS 9 Cb 1.07 0.11 -0.27 0.00 -0.60 0.00 0.00 32.23 32.54 2pg1 h LYS 9 CO 1.15 1.10 -0.32 1.21 -3.45 0.00 0.00 179.45 179.13 2pg1 s ASN 10 N -6.78 -0.42 0.18 4.20 2.47 -0.97 -5.05 114.94 108.57 2pg1 s ASN 10 Ca -0.12 0.90 -0.07 0.00 0.42 0.00 0.00 52.86 53.98 2pg1 s ASN 10 Cb 0.06 0.90 -0.02 0.00 -1.45 0.00 0.00 41.25 40.74 2pg1 s ASN 10 CO 0.84 -0.20 0.26 0.00 -3.72 0.00 0.00 177.10 174.28 2pg1 s ALA 11 N 1.71 0.23 -0.48 1.71 0.00 -1.26 -0.44 121.76 123.23 2pg1 s ALA 11 Ca -0.07 -1.07 0.06 0.00 0.00 0.00 0.00 51.96 50.88 2pg1 s ALA 11 Cb -0.09 0.96 0.25 0.00 0.00 0.00 0.00 23.12 24.24 2pg1 s ALA 11 CO -0.13 -0.65 0.90 -3.47 0.00 0.00 0.00 175.76 172.41 2pg1 n ASP 12 N -0.23 -2.67 -3.53 0.00 2.03 0.56 -4.98 116.55 107.74 2pg1 n ASP 12 Ca -0.05 -3.32 -0.10 0.00 0.52 0.00 0.00 54.79 51.84 2pg1 n ASP 12 Cb 0.63 1.71 -0.02 0.00 -0.72 0.00 0.00 41.12 42.73 2pg1 n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pg1 s MET 13 N 0.54 1.29 0.67 -0.67 0.23 -1.26 -2.51 119.30 117.59 2pg1 s MET 13 Ca 0.31 -0.54 -0.17 0.00 -1.03 0.00 0.00 55.69 54.26 2pg1 s MET 13 Cb 0.23 0.55 -0.00 0.00 -1.53 0.00 0.00 34.83 34.08 2pg1 s MET 13 CO -0.22 -0.57 1.15 -1.13 -2.03 0.00 0.00 175.02 172.21 2pg1 n SER 14 N -0.38 1.35 -0.22 -1.18 3.41 -1.26 -4.70 113.62 110.64 2pg1 n SER 14 Ca -0.13 0.76 0.06 0.00 -0.26 0.00 0.00 58.87 59.30 2pg1 n SER 14 Cb 0.63 -1.49 0.32 0.00 -0.26 0.00 0.00 64.21 63.42 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 0.19 0.81 -0.07 4.33 4.39 -2.01 0.17 114.58 122.38 2pg1 h GLU 15 Ca -0.49 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.18 2pg1 h GLU 15 Cb 1.34 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 2pg1 h GLU 15 CO 0.50 0.53 -0.05 0.93 -1.16 0.00 0.00 179.01 179.77 2pg1 h GLU 16 N 0.83 -0.05 -0.38 2.33 4.39 -2.00 -0.99 114.58 118.71 2pg1 h GLU 16 Ca 0.34 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.96 2pg1 h GLU 16 Cb 0.26 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2pg1 h GLU 16 CO -0.12 -0.03 -0.08 1.98 -1.16 0.00 0.00 179.01 179.60 2pg1 h MET 17 N -0.05 0.73 -0.47 2.33 4.05 -1.64 -2.45 114.93 117.43 2pg1 h MET 17 Ca 0.05 -0.27 0.10 0.00 -0.28 0.00 0.00 59.70 59.30 2pg1 h MET 17 Cb 0.12 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 2pg1 h MET 17 CO -0.10 0.87 0.32 1.96 0.23 0.00 0.00 176.91 180.19 2pg1 h GLN 18 N 0.54 0.16 -0.05 0.39 4.20 -0.45 -0.32 115.11 119.57 2pg1 h GLN 18 Ca 0.10 -0.01 -0.23 0.00 0.06 0.00 0.00 58.65 58.57 2pg1 h GLN 18 Cb 0.59 -0.04 0.02 0.00 0.30 0.00 0.00 27.48 28.35 2pg1 h GLN 18 CO 0.04 0.11 -0.88 0.37 -0.67 0.00 0.00 178.83 177.79 2pg1 h GLN 19 N 0.17 0.69 -0.73 1.46 5.75 -0.77 -2.88 115.11 118.80 2pg1 h GLN 19 Ca 0.22 -0.67 0.04 0.00 -0.15 0.00 0.00 58.65 58.08 2pg1 h GLN 19 Cb 0.64 0.17 -0.05 0.00 1.07 0.00 0.00 27.48 29.32 2pg1 h GLN 19 CO -0.03 1.26 0.45 -0.44 -2.65 0.00 0.00 178.83 177.42 2pg1 h ASP 20 N 0.36 0.73 0.40 -0.69 3.32 -0.67 0.80 116.42 120.67 2pg1 h ASP 20 Ca -0.10 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2pg1 h ASP 20 Cb 1.53 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.90 2pg1 h ASP 20 CO 0.18 0.50 -0.50 0.00 -1.72 0.00 0.00 179.24 177.70 2pg1 h ALA 21 N 1.32 -1.07 -0.33 3.45 0.00 -1.18 0.57 119.26 122.02 2pg1 h ALA 21 Ca 0.30 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2pg1 h ALA 21 Cb 0.04 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 2pg1 h ALA 21 CO -0.12 -1.15 -0.08 0.28 0.00 0.00 0.00 179.25 178.18 2pg1 h VAL 22 N -0.93 0.68 -0.75 0.00 2.07 -1.22 0.29 116.25 116.38 2pg1 h VAL 22 Ca -0.04 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2pg1 h VAL 22 Cb 0.83 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2pg1 h VAL 22 CO -0.12 0.00 0.39 0.44 0.02 0.00 0.00 177.57 178.30 2pg1 h ASP 23 N 0.01 0.96 -0.62 0.57 3.32 -0.47 -1.41 116.42 118.77 2pg1 h ASP 23 Ca 0.16 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 2pg1 h ASP 23 Cb 0.24 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2pg1 h ASP 23 CO -0.33 0.80 0.15 0.00 -1.72 0.00 0.00 179.24 178.14 2pg1 h ALA 25 N 1.05 0.65 0.15 0.00 0.00 0.06 -1.39 119.26 119.78 2pg1 h ALA 25 Ca 0.20 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2pg1 h ALA 25 Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2pg1 h ALA 25 CO 0.00 0.09 -0.18 1.15 0.00 0.00 0.00 179.25 180.32 2pg1 h THR 26 N 0.69 0.61 -0.69 0.00 2.02 -1.01 -0.88 112.91 113.64 2pg1 h THR 26 Ca 0.19 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.42 2pg1 h THR 26 Cb -0.08 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 2pg1 h THR 26 CO -0.04 0.00 0.39 1.56 0.37 0.00 0.00 175.52 177.80 2pg1 h GLN 27 N -0.37 0.71 -0.25 6.66 4.20 -1.31 -1.86 115.11 122.89 2pg1 h GLN 27 Ca 0.01 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.74 2pg1 h GLN 27 Cb 0.36 -0.16 -0.07 0.00 0.30 0.00 0.00 27.48 27.91 2pg1 h GLN 27 CO -0.06 0.47 -0.25 0.00 -0.67 0.00 0.00 178.83 178.32 2pg1 h ALA 28 N 1.35 -0.14 -0.86 3.87 0.00 -0.65 -1.65 119.26 121.18 2pg1 h ALA 28 Ca 0.30 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2pg1 h ALA 28 Cb 0.17 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2pg1 h ALA 28 CO -0.17 -0.68 0.41 -0.07 0.00 0.00 0.00 179.25 178.74 2pg1 h LEU 29 N -0.26 1.12 0.00 0.00 3.38 -0.71 0.10 115.31 118.95 2pg1 h LEU 29 Ca 0.14 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pg1 h LEU 29 Cb 0.47 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2pg1 h LEU 29 CO -0.39 0.94 0.00 -1.84 0.09 0.00 0.00 178.44 177.24 2pg1 n GLU 30 N -4.30 0.67 -0.00 1.13 0.28 -0.74 -3.55 120.64 114.12 2pg1 n GLU 30 Ca 0.09 0.01 0.01 0.00 -0.16 0.00 0.00 57.16 57.11 2pg1 n GLU 30 Cb 0.14 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.49 2pg1 n GLU 30 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2pg1 n LYS 31 N -1.12 0.10 -4.04 3.44 4.81 -0.66 -5.06 118.16 115.62 2pg1 n LYS 31 Ca 0.18 -0.02 -0.10 0.00 -0.87 0.00 0.00 58.31 57.50 2pg1 n LYS 31 Cb 0.15 -1.06 -0.11 0.00 0.02 0.00 0.00 35.03 34.03 2pg1 n LYS 31 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2pg1 s TYR 32 N -2.18 0.48 -0.07 5.64 2.02 0.28 -5.06 117.35 118.46 2pg1 s TYR 32 Ca -0.01 -0.68 0.02 0.00 -0.37 0.00 0.00 57.07 56.03 2pg1 s TYR 32 Cb 0.02 -0.32 -0.06 0.00 -0.40 0.00 0.00 41.96 41.20 2pg1 s TYR 32 CO 0.11 -0.20 -0.04 0.09 -1.57 0.00 0.00 175.55 173.94 2pg1 n ASN 33 N 1.07 3.47 -4.71 2.29 3.02 -1.26 -4.48 115.26 114.65 2pg1 n ASN 33 Ca -0.20 -0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 53.90 2pg1 n ASN 33 Cb 0.57 0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.86 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 -2.15 3.02 0.20 2.41 -1.09 -1.26 -4.91 121.20 117.42 2pg1 s ILE 34 Ca -0.07 0.71 -0.12 0.00 -2.23 0.00 0.00 60.65 58.93 2pg1 s ILE 34 Cb 0.02 -3.45 0.15 0.00 -1.58 0.00 0.00 42.46 37.59 2pg1 s ILE 34 CO 0.19 0.05 1.69 -0.33 -1.23 0.00 0.00 174.94 175.31 2pg1 h GLU 35 N 6.95 0.17 -0.04 2.79 5.08 -1.93 -1.65 114.58 125.95 2pg1 h GLU 35 Ca -0.42 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2pg1 h GLU 35 Cb 1.21 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2pg1 h GLU 35 CO 0.89 0.11 0.00 1.57 -1.00 0.00 0.00 179.01 180.58 2pg1 h LYS 36 N 0.17 0.05 0.00 2.33 2.10 -1.91 -0.92 116.57 118.39 2pg1 h LYS 36 Ca 0.28 -0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.84 2pg1 h LYS 36 Cb 0.42 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 2pg1 h LYS 36 CO -0.42 0.06 -0.40 -0.44 -2.00 0.00 0.00 179.45 176.25 2pg1 h ASP 37 N 0.05 0.00 0.01 7.07 3.32 -1.69 -0.40 116.42 124.78 2pg1 h ASP 37 Ca 0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 2pg1 h ASP 37 Cb 0.04 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.59 2pg1 h ASP 37 CO 0.00 0.40 -0.24 0.40 -1.72 0.00 0.00 179.24 178.08 2pg1 h ILE 38 N 0.00 1.57 -0.08 0.35 2.04 -1.04 -1.77 117.51 118.57 2pg1 h ILE 38 Ca -0.00 -2.00 0.04 0.00 1.00 0.00 0.00 64.86 63.90 2pg1 h ILE 38 Cb 0.98 2.85 -0.05 0.00 -0.74 0.00 0.00 36.82 39.86 2pg1 h ILE 38 CO 0.05 0.54 -0.27 0.00 0.00 0.00 0.00 178.15 178.47 2pg1 h ALA 39 N 0.23 -0.32 -0.48 1.87 0.00 -1.24 -0.08 119.26 119.25 2pg1 h ALA 39 Ca -0.03 0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2pg1 h ALA 39 Cb 1.02 0.51 -0.10 0.00 0.00 0.00 0.00 17.79 19.23 2pg1 h ALA 39 CO 0.05 -0.75 -0.19 0.00 0.00 0.00 0.00 179.25 178.35 2pg1 h ALA 40 N 0.49 0.18 0.04 0.00 0.00 -1.10 1.00 119.26 119.87 2pg1 h ALA 40 Ca 0.09 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2pg1 h ALA 40 Cb 0.50 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2pg1 h ALA 40 CO -0.29 -0.53 -0.20 -0.92 0.00 0.00 0.00 179.25 177.30 2pg1 h TYR 41 N -0.09 -0.54 0.39 0.00 3.20 -0.56 0.28 116.97 119.66 2pg1 h TYR 41 Ca 0.23 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2pg1 h TYR 41 Cb 0.44 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 2pg1 h TYR 41 CO -0.47 -0.29 -0.51 0.82 -1.64 0.00 0.00 178.16 176.07 2pg1 h ILE 42 N -0.35 0.00 -0.90 1.81 1.08 -0.13 -2.37 117.51 116.64 2pg1 h ILE 42 Ca 0.05 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.68 2pg1 h ILE 42 Cb 0.40 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.05 2pg1 h ILE 42 CO -0.16 0.00 0.48 0.50 -0.69 0.00 0.00 178.15 178.29 2pg1 h LYS 43 N -0.93 0.63 -0.37 2.37 3.11 -0.67 -1.92 116.57 118.78 2pg1 h LYS 43 Ca -0.05 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.74 2pg1 h LYS 43 Cb 0.83 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.91 2pg1 h LYS 43 CO -0.12 0.41 0.15 0.87 -2.81 0.00 0.00 179.45 177.95 2pg1 h LYS 44 N 0.64 0.55 -0.54 1.90 1.57 -0.63 0.00 116.57 120.06 2pg1 h LYS 44 Ca 0.51 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 59.17 2pg1 h LYS 44 Cb 0.77 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 2pg1 h LYS 44 CO -0.39 0.52 0.25 0.93 -0.57 0.00 0.00 179.45 180.20 2pg1 h GLU 45 N 0.45 0.76 0.03 3.15 4.39 -0.86 -1.46 114.58 121.05 2pg1 h GLU 45 Ca 0.12 -0.10 -0.23 0.00 0.34 0.00 0.00 59.36 59.50 2pg1 h GLU 45 Cb 0.17 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2pg1 h GLU 45 CO -0.01 0.60 -1.00 0.74 -1.16 0.00 0.00 179.01 178.18 2pg1 h PHE 46 N 0.76 0.50 0.00 4.33 -1.00 -1.16 0.19 116.94 120.57 2pg1 h PHE 46 Ca 0.19 -0.30 -0.07 0.00 2.81 0.00 0.00 57.97 60.60 2pg1 h PHE 46 Cb 0.10 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 2pg1 h PHE 46 CO 0.01 1.14 -0.35 -0.44 -1.61 0.00 0.00 178.31 177.06 2pg1 h ASP 47 N 0.16 0.00 0.06 2.17 5.19 -0.68 0.76 116.42 124.08 2pg1 h ASP 47 Ca -0.08 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.15 2pg1 h ASP 47 Cb 1.66 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.16 2pg1 h ASP 47 CO 0.17 0.35 -0.87 0.50 -3.12 0.00 0.00 179.24 176.26 2pg1 h LYS 48 N 0.00 0.13 0.00 3.56 3.64 -1.19 -2.83 116.57 119.88 2pg1 h LYS 48 Ca -0.00 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2pg1 h LYS 48 Cb 0.65 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2pg1 h LYS 48 CO 0.04 1.11 -0.28 -0.22 -2.27 0.00 0.00 179.45 177.83 2pg1 h LYS 49 N -0.67 0.00 0.00 1.90 3.64 -0.93 -3.36 116.57 117.15 2pg1 h LYS 49 Ca -0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2pg1 h LYS 49 Cb 1.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 2pg1 h LYS 49 CO -0.00 0.00 -0.38 0.66 -2.27 0.00 0.00 179.45 177.46 2pg1 n TYR 50 N -2.22 0.00 -0.88 1.91 4.02 0.25 -5.05 117.16 115.19 2pg1 n TYR 50 Ca 0.04 -0.21 0.01 0.00 -0.01 0.00 0.00 57.90 57.74 2pg1 n TYR 50 Cb 0.44 -0.07 -0.01 0.00 -0.02 0.00 0.00 39.34 39.68 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 -0.29 -4.77 -4.72 7.72 3.02 -1.07 -4.92 115.26 110.23 2pg1 n ASN 51 Ca 0.03 1.04 -0.31 0.00 -0.03 0.00 0.00 54.58 55.31 2pg1 n ASN 51 Cb 0.68 -2.51 0.13 0.00 -0.61 0.00 0.00 39.78 37.46 2pg1 n ASN 51 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2pg1 s PRO 52 N -4.66 1.53 -0.16 3.52 0.02 -1.21 -4.46 135.00 129.58 2pg1 s PRO 52 Ca 0.00 1.16 0.01 0.00 0.02 0.00 0.00 61.00 62.18 2pg1 s PRO 52 Cb 0.00 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.73 2pg1 s PRO 52 CO 0.00 -2.15 -0.15 0.99 -0.33 0.00 0.00 177.00 175.36 2pg1 s THR 53 N -2.83 1.68 0.29 0.99 2.01 -1.26 -5.00 115.64 111.52 2pg1 s THR 53 Ca 0.63 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.95 2pg1 s THR 53 Cb -0.19 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 2pg1 s THR 53 CO 0.57 0.43 0.32 0.26 -0.69 0.00 0.00 174.62 175.51 2pg1 s TRP 54 N 1.43 3.14 -0.01 4.92 0.52 -1.26 -0.46 118.94 127.23 2pg1 s TRP 54 Ca 0.04 -0.16 0.00 0.00 0.02 0.00 0.00 56.10 56.00 2pg1 s TRP 54 Cb -0.13 -1.67 0.01 0.00 -1.15 0.00 0.00 33.47 30.53 2pg1 s TRP 54 CO -0.11 0.31 0.01 -1.01 0.02 0.00 0.00 176.95 176.16 2pg1 s HIS 55 N -2.15 0.08 0.00 -1.98 3.76 0.13 -4.94 115.29 110.19 2pg1 s HIS 55 Ca 0.38 0.03 0.04 0.00 -0.15 0.00 0.00 55.06 55.37 2pg1 s HIS 55 Cb -0.08 -0.14 -0.01 0.00 1.11 0.00 0.00 32.58 33.46 2pg1 s HIS 55 CO 0.28 -0.04 -0.14 0.00 -0.85 0.00 0.00 174.74 173.98 2pg1 s ILE 57 N -0.46 0.38 -0.17 0.00 1.01 -0.18 -4.83 121.20 116.96 2pg1 s ILE 57 Ca 0.04 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.82 2pg1 s ILE 57 Cb -0.06 -0.54 0.01 0.00 0.01 0.00 0.00 42.46 41.88 2pg1 s ILE 57 CO -0.00 0.26 -0.18 -0.69 0.00 0.00 0.00 174.94 174.33 2pg1 s VAL 58 N 1.96 2.31 0.22 2.92 1.01 -1.26 -0.70 120.40 126.86 2pg1 s VAL 58 Ca 0.05 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 2pg1 s VAL 58 Cb -0.12 -1.97 0.06 0.00 0.00 0.00 0.00 36.38 34.35 2pg1 s VAL 58 CO -0.05 0.52 0.94 -0.83 0.00 0.00 0.00 175.10 175.68 2pg1 s GLY 59 N 1.12 0.01 0.00 4.51 0.00 -0.77 -4.78 107.32 107.41 2pg1 s GLY 59 Ca 0.01 -0.23 0.09 0.00 0.00 0.00 0.00 44.72 44.59 2pg1 s GLY 59 CO -0.07 0.81 0.50 0.54 0.00 0.00 0.00 173.10 174.87 2pg1 n ARG 60 N -0.56 3.04 -3.26 2.90 1.74 -1.26 -0.48 116.66 118.78 2pg1 n ARG 60 Ca -0.05 -0.31 -0.05 0.00 -0.77 0.00 0.00 57.85 56.68 2pg1 n ARG 60 Cb 0.60 -1.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.00 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 -1.56 -0.28 -0.29 0.55 3.84 -1.26 -4.94 114.94 111.01 2pg1 s ASN 61 Ca 0.06 -0.01 -0.33 0.00 0.21 0.00 0.00 52.86 52.78 2pg1 s ASN 61 Cb 0.07 1.43 0.18 0.00 -0.55 0.00 0.00 41.25 42.38 2pg1 s ASN 61 CO 0.30 -0.32 1.38 0.72 -2.79 0.00 0.00 177.10 176.38 2pg1 s PHE 62 N 2.64 -0.02 0.26 0.43 -0.12 -1.26 -5.17 117.98 114.74 2pg1 s PHE 62 Ca 0.11 0.02 0.11 0.00 -0.05 0.00 0.00 56.93 57.13 2pg1 s PHE 62 Cb -0.13 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.71 2pg1 s PHE 62 CO -0.26 -0.02 -0.18 0.20 -0.05 0.00 0.00 175.22 174.91 2pg1 s GLY 63 N -1.44 1.74 0.06 1.99 0.00 -1.26 -5.13 107.32 103.28 2pg1 s GLY 63 Ca 0.10 -1.81 -0.14 0.00 0.00 0.00 0.00 44.72 42.88 2pg1 s GLY 63 CO -0.06 -1.90 0.32 -1.35 0.00 0.00 0.00 173.10 170.11 2pg1 s SER 64 N -3.44 -0.13 -0.22 1.64 1.04 -1.26 -5.12 113.70 106.21 2pg1 s SER 64 Ca 0.28 -0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.42 2pg1 s SER 64 Cb -0.04 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.54 2pg1 s SER 64 CO 0.12 -0.67 0.12 -0.47 0.98 0.00 0.00 173.24 173.33 2pg1 s TYR 65 N -2.88 0.17 0.26 5.02 5.04 -1.26 -5.14 117.35 118.56 2pg1 s TYR 65 Ca -0.03 -0.46 0.02 0.00 -2.44 0.00 0.00 57.07 54.16 2pg1 s TYR 65 Cb 0.00 -0.73 -0.05 0.00 0.35 0.00 0.00 41.96 41.53 2pg1 s TYR 65 CO -0.05 -0.65 0.07 0.14 -1.34 0.00 0.00 175.55 173.72 2pg1 s VAL 66 N 2.15 0.73 -0.08 3.14 -7.23 -1.26 -5.15 120.40 112.70 2pg1 s VAL 66 Ca 0.05 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.27 2pg1 s VAL 66 Cb -0.16 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.18 2pg1 s VAL 66 CO -0.20 -0.07 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.40 2pg1 s THR 67 N -3.63 2.19 0.08 5.32 2.01 -1.26 -5.13 115.64 115.21 2pg1 s THR 67 Ca 0.36 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.38 2pg1 s THR 67 Cb 0.08 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 2pg1 s THR 67 CO 0.13 0.56 -0.08 -1.38 -0.69 0.00 0.00 174.62 173.17 2pg1 s HIS 68 N 0.04 0.83 0.33 4.92 -3.43 -1.26 -4.75 115.29 111.96 2pg1 s HIS 68 Ca -0.09 -0.72 -0.28 0.00 -0.80 0.00 0.00 55.06 53.17 2pg1 s HIS 68 Cb -0.15 -0.48 -0.10 0.00 -1.43 0.00 0.00 32.58 30.42 2pg1 s HIS 68 CO 0.06 -0.11 1.23 -1.21 -2.00 0.00 0.00 174.74 172.71 2pg1 s GLU 69 N -2.81 4.36 0.50 -0.38 2.02 -0.66 -4.92 118.70 116.81 2pg1 s GLU 69 Ca 0.02 2.04 -0.21 0.00 0.02 0.00 0.00 54.97 56.85 2pg1 s GLU 69 Cb -0.02 -3.02 -0.10 0.00 0.10 0.00 0.00 34.13 31.09 2pg1 s GLU 69 CO -0.02 -0.12 0.69 -2.37 0.02 0.00 0.00 175.26 173.46 2pg1 n THR 70 N 0.75 2.32 -0.91 3.63 5.66 -1.26 -1.39 114.28 123.08 2pg1 n THR 70 Ca 0.01 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 2pg1 n THR 70 Cb 0.43 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.42 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 0.07 -0.99 -3.07 1.09 1.74 -1.24 -4.89 116.66 109.37 2pg1 n ARG 71 Ca 0.11 0.25 -0.23 0.00 -0.77 0.00 0.00 57.85 57.21 2pg1 n ARG 71 Cb 0.43 -4.22 -0.04 0.00 -1.02 0.00 0.00 32.46 27.62 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 -2.23 2.12 -3.75 -1.55 8.25 -0.49 -4.24 115.22 113.34 2pg1 n HIS 72 Ca 0.00 -3.91 -0.13 0.00 -0.26 0.00 0.00 57.72 53.43 2pg1 n HIS 72 Cb 0.25 -0.46 -0.13 0.00 1.12 0.00 0.00 29.99 30.77 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 -2.94 -0.29 -0.10 4.41 2.19 -1.17 -1.91 117.98 118.17 2pg1 s PHE 73 Ca 0.44 0.71 -0.08 0.00 0.33 0.00 0.00 56.93 58.33 2pg1 s PHE 73 Cb 0.31 0.05 0.03 0.00 -1.31 0.00 0.00 43.02 42.10 2pg1 s PHE 73 CO -0.11 -0.20 0.26 -1.50 1.83 0.00 0.00 175.22 175.51 2pg1 s ILE 74 N 0.95 -0.01 -0.29 3.12 -1.16 -0.55 -0.32 121.20 122.94 2pg1 s ILE 74 Ca -0.07 0.03 -0.04 0.00 -0.51 0.00 0.00 60.65 60.07 2pg1 s ILE 74 Cb -0.08 -0.38 0.10 0.00 0.61 0.00 0.00 42.46 42.71 2pg1 s ILE 74 CO -0.06 0.01 0.14 -0.47 -2.81 0.00 0.00 174.94 171.75 2pg1 s TYR 75 N 0.40 0.28 0.29 3.50 5.04 0.41 -1.18 117.35 126.09 2pg1 s TYR 75 Ca -0.02 -0.83 0.05 0.00 -2.44 0.00 0.00 57.07 53.83 2pg1 s TYR 75 Cb -0.04 -0.87 -0.06 0.00 0.35 0.00 0.00 41.96 41.34 2pg1 s TYR 75 CO -0.02 -0.82 -0.02 -0.59 -1.34 0.00 0.00 175.55 172.76 2pg1 s PHE 76 N 2.11 1.91 -0.04 4.97 -0.71 -0.49 -2.13 117.98 123.59 2pg1 s PHE 76 Ca 0.09 -0.80 0.02 0.00 -1.04 0.00 0.00 56.93 55.20 2pg1 s PHE 76 Cb -0.16 -1.15 -0.03 0.00 -1.21 0.00 0.00 43.02 40.48 2pg1 s PHE 76 CO -0.36 0.16 -0.09 0.71 -1.34 0.00 0.00 175.22 174.30 2pg1 s TYR 77 N -3.14 2.86 -0.41 3.49 2.02 0.13 -0.07 117.35 122.22 2pg1 s TYR 77 Ca 0.31 -0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.99 2pg1 s TYR 77 Cb 0.06 -1.66 0.12 0.00 -0.40 0.00 0.00 41.96 40.07 2pg1 s TYR 77 CO 0.12 0.31 0.17 -1.17 -1.57 0.00 0.00 175.55 173.41 2pg1 s LEU 78 N -0.95 3.34 0.00 -1.29 2.96 0.55 -0.87 118.68 122.42 2pg1 s LEU 78 Ca 0.13 -2.39 0.00 0.00 -0.22 0.00 0.00 54.13 51.65 2pg1 s LEU 78 Cb -0.11 -1.24 0.00 0.00 0.50 0.00 0.00 46.19 45.34 2pg1 s LEU 78 CO 0.03 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.35 2pg1 n GLY 79 N 3.89 0.96 0.04 7.98 0.00 -1.23 -2.20 105.19 114.62 2pg1 n GLY 79 Ca 0.05 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 12.41 0.11 -2.75 1.61 3.00 -1.26 -4.87 117.38 125.64 2pg1 n GLN 80 Ca 0.00 -0.08 -0.43 0.00 -0.01 0.00 0.00 57.00 56.49 2pg1 n GLN 80 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.71 2pg1 n GLN 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2pg1 s VAL 81 N -2.94 4.72 0.21 5.09 1.01 -0.94 -4.71 120.40 122.85 2pg1 s VAL 81 Ca 0.11 1.82 -0.17 0.00 0.00 0.00 0.00 61.98 63.74 2pg1 s VAL 81 Cb 0.17 -4.25 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 2pg1 s VAL 81 CO 0.73 -0.17 0.67 0.00 0.00 0.00 0.00 175.10 176.34 2pg1 s ALA 82 N 3.11 3.45 -0.08 5.51 0.00 0.37 -0.33 121.76 133.78 2pg1 s ALA 82 Ca 0.41 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.41 2pg1 s ALA 82 Cb -0.15 -2.72 0.03 0.00 0.00 0.00 0.00 23.12 20.28 2pg1 s ALA 82 CO 0.07 0.37 0.02 0.42 0.00 0.00 0.00 175.76 176.64 2pg1 s ILE 83 N -1.57 0.30 -0.22 0.00 1.01 0.90 -1.84 121.20 119.77 2pg1 s ILE 83 Ca 0.43 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 61.14 2pg1 s ILE 83 Cb -0.15 -0.52 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 2pg1 s ILE 83 CO 0.20 0.19 -0.04 -0.22 0.00 0.00 0.00 174.94 175.07 2pg1 s LEU 84 N 2.00 2.89 -0.08 2.97 2.96 0.12 -1.40 118.68 128.14 2pg1 s LEU 84 Ca 0.04 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 2pg1 s LEU 84 Cb -0.13 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 44.85 2pg1 s LEU 84 CO -0.05 -0.02 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.72 2pg1 s LEU 85 N 1.48 0.70 0.08 -0.68 2.96 -0.33 -1.01 118.68 121.89 2pg1 s LEU 85 Ca 0.06 -0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 2pg1 s LEU 85 Cb -0.14 -0.49 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 2pg1 s LEU 85 CO -0.03 -0.18 0.16 0.72 -1.32 0.00 0.00 176.35 175.70 2pg1 s PHE 86 N 1.88 0.19 -0.12 5.38 -0.71 -0.77 -1.48 117.98 122.37 2pg1 s PHE 86 Ca 0.04 -0.62 -0.02 0.00 -1.04 0.00 0.00 56.93 55.29 2pg1 s PHE 86 Cb -0.12 -0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.55 2pg1 s PHE 86 CO -0.05 -0.51 -0.02 0.21 -1.34 0.00 0.00 175.22 173.51 2pg1 s LYS 87 N -3.75 3.27 -0.30 1.99 2.20 -0.80 0.20 119.74 122.56 2pg1 s LYS 87 Ca 0.04 -0.47 -0.14 0.00 -0.36 0.00 0.00 55.97 55.05 2pg1 s LYS 87 Cb 0.05 -2.83 0.14 0.00 -1.51 0.00 0.00 37.83 33.67 2pg1 s LYS 87 CO -0.10 0.50 0.85 0.45 -0.36 0.00 0.00 175.35 176.69 2pg1 s SER 88 N -0.32 -0.78 0.00 1.43 0.15 0.40 -1.66 113.70 112.92 2pg1 s SER 88 Ca 0.06 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.82 2pg1 s SER 88 Cb -0.12 1.74 0.00 0.00 -1.71 0.00 0.00 66.02 65.93 2pg1 s SER 88 CO 0.02 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.91