#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pg4 h GLU 4 N 0.00 0.00 -0.85 -1.24 4.57 -1.90 -3.33 114.58 111.83 2pg4 h GLU 4 Ca 0.00 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.33 2pg4 h GLU 4 Cb 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.50 2pg4 h GLU 4 CO 0.00 0.51 0.44 1.15 -1.18 0.00 0.00 179.01 179.93 2pg4 h THR 5 N 0.00 0.72 0.00 0.32 2.02 -1.91 -1.45 112.91 112.61 2pg4 h THR 5 Ca -0.01 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 2pg4 h THR 5 Cb 1.22 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2pg4 h THR 5 CO 0.07 0.11 -0.23 -0.07 0.37 0.00 0.00 175.52 175.77 2pg4 h LEU 6 N 0.62 0.00 0.00 2.58 4.07 -2.00 -2.73 115.31 117.85 2pg4 h LEU 6 Ca 0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.43 2pg4 h LEU 6 Cb 0.66 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.40 2pg4 h LEU 6 CO -0.37 0.23 0.00 0.54 -1.08 0.00 0.00 178.44 177.77 2pg4 n ARG 7 N -3.79 0.12 -2.38 1.13 1.74 -0.55 -4.86 116.66 108.07 2pg4 n ARG 7 Ca -0.02 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.74 2pg4 n ARG 7 Cb 0.33 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.25 2pg4 n ARG 7 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pg4 s LEU 8 N -2.88 3.71 0.16 0.55 1.43 -1.03 -5.03 118.68 115.59 2pg4 s LEU 8 Ca 0.18 1.84 -0.30 0.00 -1.03 0.00 0.00 54.13 54.82 2pg4 s LEU 8 Cb 0.19 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.79 2pg4 s LEU 8 CO 0.50 -0.86 1.10 -1.58 0.23 0.00 0.00 176.35 175.74 2pg4 s GLN 9 N -3.60 4.59 0.21 1.70 0.74 -1.26 -4.96 119.66 117.08 2pg4 s GLN 9 Ca 0.65 1.70 -0.09 0.00 0.05 0.00 0.00 55.36 57.66 2pg4 s GLN 9 Cb -0.15 -3.29 0.23 0.00 1.10 0.00 0.00 33.01 30.89 2pg4 s GLN 9 CO 0.26 0.05 1.83 0.35 -0.55 0.00 0.00 175.29 177.24 2pg4 h PHE 10 N 5.32 0.78 -0.66 1.67 3.57 -1.96 -2.87 116.94 122.78 2pg4 h PHE 10 Ca -0.44 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.11 2pg4 h PHE 10 Cb 1.21 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 2pg4 h PHE 10 CO 0.63 0.41 0.42 0.78 -2.23 0.00 0.00 178.31 178.32 2pg4 h GLY 11 N 0.80 0.95 1.42 2.40 0.00 -1.98 -0.06 103.07 106.60 2pg4 h GLY 11 Ca 0.30 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 2pg4 h GLY 11 CO -0.15 0.27 0.16 0.45 0.00 0.00 0.00 176.54 177.27 2pg4 h HIS 12 N 0.82 0.75 -0.14 5.60 3.86 -1.93 -1.75 115.15 122.36 2pg4 h HIS 12 Ca 0.27 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.37 2pg4 h HIS 12 Cb 0.01 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.25 2pg4 h HIS 12 CO -0.04 0.61 -0.14 -0.07 0.86 0.00 0.00 177.93 179.15 2pg4 h LEU 13 N 0.72 0.37 -1.25 2.43 3.38 -1.26 -1.76 115.31 117.93 2pg4 h LEU 13 Ca 0.17 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 2pg4 h LEU 13 Cb 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2pg4 h LEU 13 CO -0.01 0.77 -0.30 -0.29 0.09 0.00 0.00 178.44 178.70 2pg4 h ILE 14 N -0.03 0.85 0.01 1.22 2.10 -0.82 -2.32 117.51 118.53 2pg4 h ILE 14 Ca 0.02 -1.20 -0.14 0.00 1.08 0.00 0.00 64.86 64.62 2pg4 h ILE 14 Cb 0.67 1.73 -0.02 0.00 -1.09 0.00 0.00 36.82 38.11 2pg4 h ILE 14 CO 0.03 0.29 -0.76 0.03 -1.08 0.00 0.00 178.15 176.67 2pg4 h ARG 15 N 0.00 0.02 0.09 2.19 3.08 -1.34 -3.39 114.38 115.03 2pg4 h ARG 15 Ca -0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2pg4 h ARG 15 Cb 0.70 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2pg4 h ARG 15 CO 0.04 1.02 -0.04 0.82 -1.07 0.00 0.00 179.97 180.73 2pg4 h ILE 16 N -0.94 1.16 -0.14 2.04 1.08 -1.28 -3.18 117.51 116.25 2pg4 h ILE 16 Ca -0.20 -1.24 -0.09 0.00 -0.39 0.00 0.00 64.86 62.94 2pg4 h ILE 16 Cb 1.22 1.91 0.00 0.00 -3.07 0.00 0.00 36.82 36.88 2pg4 h ILE 16 CO -0.10 0.29 -0.28 -0.07 -0.69 0.00 0.00 178.15 177.30 2pg4 h LEU 17 N -0.72 0.49 -1.16 1.44 3.38 -1.65 -2.07 115.31 115.01 2pg4 h LEU 17 Ca -0.01 -0.56 0.13 0.00 0.09 0.00 0.00 57.88 57.53 2pg4 h LEU 17 Cb 0.56 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 2pg4 h LEU 17 CO 0.02 0.95 0.60 -0.65 0.09 0.00 0.00 178.44 179.45 2pg4 h PRO 18 N 0.04 0.81 -0.37 1.13 0.11 -1.75 -1.78 132.00 130.18 2pg4 h PRO 18 Ca 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 2pg4 h PRO 18 Cb 0.87 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 2pg4 h PRO 18 CO 0.06 0.54 0.14 1.15 -0.21 0.00 0.00 178.00 179.68 2pg4 h THR 19 N 0.83 1.20 -0.34 -1.15 2.02 -1.47 -1.48 112.91 112.52 2pg4 h THR 19 Ca 0.47 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 2pg4 h THR 19 Cb 0.59 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2pg4 h THR 19 CO -0.23 0.22 0.15 -0.07 0.37 0.00 0.00 175.52 175.96 2pg4 h LEU 20 N 0.46 0.46 -0.52 2.58 3.38 -1.23 -2.27 115.31 118.16 2pg4 h LEU 20 Ca 0.12 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2pg4 h LEU 20 Cb 0.21 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2pg4 h LEU 20 CO -0.01 0.48 0.27 0.25 0.09 0.00 0.00 178.44 179.52 2pg4 h LEU 21 N 0.40 0.39 -0.83 1.67 5.85 -1.22 -1.73 115.31 119.84 2pg4 h LEU 21 Ca 0.11 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 2pg4 h LEU 21 Cb 0.16 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2pg4 h LEU 21 CO -0.01 0.26 0.06 -0.33 -0.34 0.00 0.00 178.44 178.09 2pg4 h GLU 22 N 0.52 0.94 -0.55 1.25 5.08 -1.13 -1.52 114.58 119.16 2pg4 h GLU 22 Ca 0.23 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2pg4 h GLU 22 Cb 0.14 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2pg4 h GLU 22 CO -0.16 0.89 0.34 0.74 -1.00 0.00 0.00 179.01 179.82 2pg4 h PHE 23 N 0.88 0.64 -0.60 4.33 0.04 -1.15 -2.97 116.94 118.10 2pg4 h PHE 23 Ca 0.17 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.87 2pg4 h PHE 23 Cb 0.43 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 2pg4 h PHE 23 CO 0.03 0.37 0.03 1.49 -0.60 0.00 0.00 178.31 179.62 2pg4 h GLU 24 N 0.68 1.04 -0.38 1.51 4.81 -0.84 0.30 114.58 121.71 2pg4 h GLU 24 Ca 0.22 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 2pg4 h GLU 24 Cb 0.01 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2pg4 h GLU 24 CO -0.09 1.01 0.12 0.87 -0.73 0.00 0.00 179.01 180.19 2pg4 h LYS 25 N 0.94 0.55 -0.00 1.92 1.57 -1.29 -1.32 116.57 118.94 2pg4 h LYS 25 Ca 0.17 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2pg4 h LYS 25 Cb 0.52 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2pg4 h LYS 25 CO 0.03 0.48 -0.07 1.63 -0.57 0.00 0.00 179.45 180.95 2pg4 n LYS 26 N -4.36 0.47 -1.08 3.15 5.02 -1.01 -4.94 118.16 115.41 2pg4 n LYS 26 Ca 0.02 -0.09 -0.03 0.00 -2.02 0.00 0.00 58.31 56.19 2pg4 n LYS 26 Cb 0.17 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.67 2pg4 n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pg4 n GLY 27 N 1.31 0.60 3.86 0.72 0.00 -0.50 -5.02 105.19 106.18 2pg4 n GLY 27 Ca 0.13 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 2pg4 n GLY 27 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pg4 s TYR 28 N -2.08 3.64 -0.46 1.61 5.04 0.01 -4.99 117.35 120.13 2pg4 s TYR 28 Ca 0.00 0.70 0.00 0.00 -2.44 0.00 0.00 57.07 55.33 2pg4 s TYR 28 Cb 0.00 -2.07 0.12 0.00 0.35 0.00 0.00 41.96 40.36 2pg4 s TYR 28 CO 0.00 0.69 0.23 -1.21 -1.34 0.00 0.00 175.55 173.92 2pg4 s GLU 29 N -1.14 1.99 0.33 4.97 2.02 -1.26 -4.20 118.70 121.41 2pg4 s GLU 29 Ca 0.20 -2.13 -0.18 0.00 0.02 0.00 0.00 54.97 52.87 2pg4 s GLU 29 Cb -0.14 -3.48 -0.09 0.00 0.10 0.00 0.00 34.13 30.52 2pg4 s GLU 29 CO 0.09 -1.07 0.80 -1.25 0.02 0.00 0.00 175.26 173.85 2pg4 s PRO 30 N 0.56 4.16 1.03 0.39 0.04 -1.26 -5.08 135.00 134.85 2pg4 s PRO 30 Ca 0.12 0.88 -0.13 0.00 0.04 0.00 0.00 61.00 61.91 2pg4 s PRO 30 Cb -0.22 -2.49 0.20 0.00 0.04 0.00 0.00 34.50 32.03 2pg4 s PRO 30 CO -0.04 0.17 1.10 -1.54 0.04 0.00 0.00 177.00 176.73 2pg4 s SER 31 N -2.07 2.38 0.19 6.66 1.04 -1.26 -4.33 113.70 116.32 2pg4 s SER 31 Ca 0.53 1.05 -0.09 0.00 0.48 0.00 0.00 55.95 57.93 2pg4 s SER 31 Cb -0.12 -1.64 0.11 0.00 0.10 0.00 0.00 66.02 64.47 2pg4 s SER 31 CO 0.18 -3.27 1.73 -0.07 0.98 0.00 0.00 173.24 172.79 2pg4 h LEU 32 N -1.99 1.02 -1.13 2.42 3.38 -1.71 -2.54 115.31 114.76 2pg4 h LEU 32 Ca -0.53 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.29 2pg4 h LEU 32 Cb 1.33 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 2pg4 h LEU 32 CO 0.55 0.96 0.60 0.00 0.09 0.00 0.00 178.44 180.64 2pg4 h ALA 33 N 1.10 1.50 -0.13 1.53 0.00 -1.93 -1.43 119.26 119.90 2pg4 h ALA 33 Ca 0.23 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 2pg4 h ALA 33 Cb 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2pg4 h ALA 33 CO -0.01 0.36 -0.38 0.93 0.00 0.00 0.00 179.25 180.15 2pg4 h GLU 34 N 1.04 0.28 -0.23 0.00 5.08 -1.85 -1.33 114.58 117.58 2pg4 h GLU 34 Ca 0.40 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 2pg4 h GLU 34 Cb 0.20 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2pg4 h GLU 34 CO -0.15 0.62 -0.01 0.82 -1.00 0.00 0.00 179.01 179.29 2pg4 h ILE 35 N 0.24 1.26 0.04 3.13 2.04 -0.95 -0.81 117.51 122.46 2pg4 h ILE 35 Ca 0.03 -0.93 0.02 0.00 1.00 0.00 0.00 64.86 64.98 2pg4 h ILE 35 Cb 0.78 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 2pg4 h ILE 35 CO 0.06 0.29 -0.16 0.58 0.00 0.00 0.00 178.15 178.92 2pg4 h VAL 36 N 0.17 0.62 0.12 1.67 2.07 -1.20 -0.69 116.25 119.01 2pg4 h VAL 36 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2pg4 h VAL 36 Cb 0.43 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2pg4 h VAL 36 CO 0.01 0.00 -0.06 0.50 0.02 0.00 0.00 177.57 178.05 2pg4 h LYS 37 N -0.28 -0.16 -0.81 1.57 3.64 -1.16 -2.16 116.57 117.21 2pg4 h LYS 37 Ca 0.04 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2pg4 h LYS 37 Cb 0.33 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 2pg4 h LYS 37 CO -0.13 0.19 0.54 0.00 -2.27 0.00 0.00 179.45 177.78 2pg4 h ALA 38 N 0.29 1.47 0.00 5.00 0.00 -1.16 -2.84 119.26 122.02 2pg4 h ALA 38 Ca -0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2pg4 h ALA 38 Cb 0.42 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2pg4 h ALA 38 CO 0.03 0.47 -0.15 0.66 0.00 0.00 0.00 179.25 180.26 2pg4 h SER 39 N 1.05 0.00 0.00 0.00 4.64 -0.98 -3.48 113.55 114.78 2pg4 h SER 39 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2pg4 h SER 39 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2pg4 h SER 39 CO -0.08 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 2pg4 n GLY 40 N 0.84 0.82 3.83 -0.77 0.00 -0.82 -4.78 105.19 104.31 2pg4 n GLY 40 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2pg4 n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pg4 s VAL 41 N -3.27 4.37 0.52 1.61 -7.23 -1.24 -5.07 120.40 110.09 2pg4 s VAL 41 Ca 0.00 1.20 -0.10 0.00 -1.81 0.00 0.00 61.98 61.27 2pg4 s VAL 41 Cb 0.00 -3.64 -0.05 0.00 0.56 0.00 0.00 36.38 33.25 2pg4 s VAL 41 CO 0.00 -0.59 0.90 -0.94 -0.31 0.00 0.00 175.10 174.16 2pg4 s SER 42 N -2.86 6.36 0.24 4.85 1.04 -1.26 -4.64 113.70 117.44 2pg4 s SER 42 Ca 0.60 1.25 -0.05 0.00 0.48 0.00 0.00 55.95 58.23 2pg4 s SER 42 Cb -0.11 -2.38 0.35 0.00 0.10 0.00 0.00 66.02 63.98 2pg4 s SER 42 CO 0.29 -0.65 1.82 -0.08 0.98 0.00 0.00 173.24 175.60 2pg4 h GLU 43 N 0.35 0.79 -0.27 4.02 4.81 -1.98 -1.15 114.58 121.16 2pg4 h GLU 43 Ca -0.46 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 2pg4 h GLU 43 Cb 1.19 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2pg4 h GLU 43 CO 0.62 0.52 -0.01 -0.22 -0.73 0.00 0.00 179.01 179.20 2pg4 h LYS 44 N 0.82 0.48 -0.10 1.92 3.64 -1.96 0.10 116.57 121.47 2pg4 h LYS 44 Ca 0.37 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2pg4 h LYS 44 Cb 0.29 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 2pg4 h LYS 44 CO -0.22 0.65 -0.06 1.15 -2.27 0.00 0.00 179.45 178.71 2pg4 h THR 45 N 0.26 0.82 -0.03 1.00 2.02 -1.92 -3.23 112.91 111.84 2pg4 h THR 45 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 2pg4 h THR 45 Cb 0.44 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2pg4 h THR 45 CO 0.02 0.00 0.02 0.15 0.37 0.00 0.00 175.52 176.07 2pg4 h PHE 46 N -0.05 0.03 -0.43 3.16 3.57 -1.11 -2.83 116.94 119.29 2pg4 h PHE 46 Ca 0.06 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.29 2pg4 h PHE 46 Cb 0.14 -0.01 -0.10 0.00 2.79 0.00 0.00 35.95 38.77 2pg4 h PHE 46 CO -0.18 0.03 0.15 1.19 -2.23 0.00 0.00 178.31 177.27 2pg4 n PHE 47 N -5.07 0.90 0.06 0.41 3.72 0.34 -1.92 117.46 115.90 2pg4 n PHE 47 Ca -0.07 -1.66 -0.05 0.00 -0.05 0.00 0.00 57.45 55.63 2pg4 n PHE 47 Cb 0.03 -1.11 0.15 0.00 -0.94 0.00 0.00 39.48 37.61 2pg4 n PHE 47 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2pg4 h GLY 49 N 3.53 0.39 0.68 1.37 0.00 -1.78 -3.49 103.07 103.76 2pg4 h GLY 49 Ca 0.23 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2pg4 h GLY 49 CO 0.52 0.36 -0.01 -2.00 0.00 0.00 0.00 176.54 175.41 2pg4 h LEU 50 N 0.29 0.09 -0.71 3.11 5.85 -1.47 -1.01 115.31 121.45 2pg4 h LEU 50 Ca 0.02 -0.36 0.12 0.00 0.84 0.00 0.00 57.88 58.49 2pg4 h LEU 50 Cb 0.93 -0.02 -0.13 0.00 0.37 0.00 0.00 40.66 41.81 2pg4 h LEU 50 CO 0.08 0.43 -0.37 0.50 -0.34 0.00 0.00 178.44 178.74 2pg4 h LYS 51 N -0.25 -0.12 0.00 1.25 3.64 -1.63 -1.04 116.57 118.42 2pg4 h LYS 51 Ca 0.01 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 2pg4 h LYS 51 Cb 0.39 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2pg4 h LYS 51 CO 0.00 -0.08 -0.25 -0.44 -2.27 0.00 0.00 179.45 176.41 2pg4 h ASP 52 N -0.13 0.00 -0.00 4.20 3.32 -1.78 -1.81 116.42 120.23 2pg4 h ASP 52 Ca 0.25 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.13 2pg4 h ASP 52 Cb 0.56 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 2pg4 h ASP 52 CO -0.77 0.25 -0.61 0.03 -1.72 0.00 0.00 179.24 176.42 2pg4 h ARG 53 N 0.00 0.61 -0.06 3.56 3.08 -0.32 -1.80 114.38 119.46 2pg4 h ARG 53 Ca -0.00 -0.42 -0.11 0.00 0.07 0.00 0.00 59.98 59.51 2pg4 h ARG 53 Cb 0.72 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 2pg4 h ARG 53 CO 0.03 1.04 -0.49 -0.07 -1.07 0.00 0.00 179.97 179.41 2pg4 h LEU 54 N 0.45 0.16 0.09 3.04 3.38 -0.63 -1.47 115.31 120.33 2pg4 h LEU 54 Ca -0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2pg4 h LEU 54 Cb 1.19 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2pg4 h LEU 54 CO 0.12 0.62 -0.05 0.40 0.09 0.00 0.00 178.44 179.63 2pg4 h ILE 55 N 0.12 1.14 -0.28 1.22 2.04 -1.30 -1.37 117.51 119.09 2pg4 h ILE 55 Ca 0.00 -1.14 0.08 0.00 1.00 0.00 0.00 64.86 64.81 2pg4 h ILE 55 Cb 0.91 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 2pg4 h ILE 55 CO 0.07 0.27 0.22 0.03 0.00 0.00 0.00 178.15 178.74 2pg4 h ARG 56 N -0.68 0.00 -0.00 2.37 3.08 -1.29 0.90 114.38 118.76 2pg4 h ARG 56 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2pg4 h ARG 56 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2pg4 h ARG 56 CO 0.02 0.00 -0.02 0.00 -1.07 0.00 0.00 179.97 178.90 2pg4 n ALA 57 N -2.53 2.63 -2.09 0.04 0.00 -0.56 -4.84 120.51 113.16 2pg4 n ALA 57 Ca 0.04 -0.21 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 2pg4 n ALA 57 Cb 0.38 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 2pg4 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pg4 n GLY 58 N 1.14 0.10 0.06 0.00 0.00 0.31 -4.70 105.19 102.11 2pg4 n GLY 58 Ca 0.19 -0.55 -0.02 0.00 0.00 0.00 0.00 46.02 45.65 2pg4 n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pg4 n LEU 59 N -1.18 0.00 -4.04 0.99 4.77 -0.52 -4.24 117.00 112.77 2pg4 n LEU 59 Ca -0.10 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.80 2pg4 n LEU 59 Cb 0.55 0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.85 2pg4 n LEU 59 CO 0.12 0.30 -0.24 0.68 -1.33 0.00 0.00 177.39 176.92 2pg4 s VAL 60 N -2.88 0.15 -0.06 4.08 -7.23 -1.18 -2.09 120.40 111.18 2pg4 s VAL 60 Ca -0.09 -1.65 0.03 0.00 -1.81 0.00 0.00 61.98 58.46 2pg4 s VAL 60 Cb 0.09 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.35 2pg4 s VAL 60 CO 0.85 -0.67 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.28 2pg4 s LYS 61 N -3.95 1.83 0.01 4.82 1.02 0.72 -4.34 119.74 119.85 2pg4 s LYS 61 Ca 0.13 -0.53 -0.26 0.00 0.02 0.00 0.00 55.97 55.33 2pg4 s LYS 61 Cb 0.07 -1.52 -0.04 0.00 -0.52 0.00 0.00 37.83 35.81 2pg4 s LYS 61 CO -0.05 0.13 0.82 -2.00 -0.92 0.00 0.00 175.35 173.33 2pg4 s GLU 62 N 0.35 4.52 0.04 1.68 2.12 -1.26 -0.35 118.70 125.79 2pg4 s GLU 62 Ca -0.10 1.15 0.04 0.00 0.36 0.00 0.00 54.97 56.42 2pg4 s GLU 62 Cb -0.14 -3.41 -0.02 0.00 0.26 0.00 0.00 34.13 30.82 2pg4 s GLU 62 CO 0.03 0.14 -0.12 -1.21 -0.54 0.00 0.00 175.26 173.57 2pg4 s GLU 63 N 0.41 0.78 -0.27 4.30 2.02 -0.43 -4.98 118.70 120.53 2pg4 s GLU 63 Ca 0.42 -0.70 -0.29 0.00 0.02 0.00 0.00 54.97 54.43 2pg4 s GLU 63 Cb -0.20 -0.74 -0.00 0.00 0.10 0.00 0.00 34.13 33.29 2pg4 s GLU 63 CO 0.24 0.18 1.27 0.99 0.02 0.00 0.00 175.26 177.96 2pg4 s THR 64 N -0.89 4.20 -0.02 3.63 2.01 -1.26 -1.43 115.64 121.88 2pg4 s THR 64 Ca -0.01 1.38 -0.14 0.00 0.31 0.00 0.00 61.69 63.24 2pg4 s THR 64 Cb -0.08 -4.14 -0.32 0.00 0.01 0.00 0.00 72.50 67.97 2pg4 s THR 64 CO 0.01 -0.40 0.79 0.25 -0.69 0.00 0.00 174.62 174.58 2pg4 h LEU 65 N 10.57 0.69 -8.38 4.42 5.85 -1.73 -3.48 115.31 123.25 2pg4 h LEU 65 Ca -0.26 -0.93 -0.21 0.00 0.84 0.00 0.00 57.88 57.33 2pg4 h LEU 65 Cb 1.10 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 2pg4 h LEU 65 CO 1.02 1.74 -0.05 -0.94 -0.34 0.00 0.00 178.44 179.87 2pg4 s SER 66 N -7.38 0.69 0.61 1.25 1.04 -0.96 -5.00 113.70 103.95 2pg4 s SER 66 Ca -0.14 -1.41 0.34 0.00 0.48 0.00 0.00 55.95 55.23 2pg4 s SER 66 Cb 0.05 0.73 1.87 0.00 0.10 0.00 0.00 66.02 68.76 2pg4 s SER 66 CO 0.88 -1.43 2.04 0.10 0.98 0.00 0.00 173.24 175.82 2pg4 h TYR 67 N 2.07 0.00 0.01 5.02 -0.00 -2.04 -3.24 116.97 118.79 2pg4 h TYR 67 Ca -0.29 0.00 -0.40 0.00 -0.00 0.00 0.00 58.73 58.04 2pg4 h TYR 67 Cb 1.24 0.00 -0.06 0.00 -0.00 0.00 0.00 36.73 37.91 2pg4 h TYR 67 CO 1.50 0.00 -2.41 -2.13 -0.00 0.00 0.00 178.16 175.13 2pg4 n ARG 68 N -2.85 0.64 -4.12 0.10 3.00 -1.26 -5.03 116.66 107.14 2pg4 n ARG 68 Ca -0.02 0.20 -0.10 0.00 -0.00 0.00 0.00 57.85 57.93 2pg4 n ARG 68 Cb 0.21 -1.54 -0.10 0.00 0.00 0.00 0.00 32.46 31.03 2pg4 n ARG 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2pg4 s VAL 69 N -2.52 0.52 0.34 5.15 -7.23 -1.22 -5.12 120.40 110.32 2pg4 s VAL 69 Ca -0.34 -1.72 0.09 0.00 -1.81 0.00 0.00 61.98 58.19 2pg4 s VAL 69 Cb 0.10 -1.40 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 2pg4 s VAL 69 CO 0.59 -0.81 0.07 -0.54 -0.31 0.00 0.00 175.10 174.10 2pg4 s LYS 70 N -3.39 2.20 0.23 4.82 1.02 -1.26 -2.06 119.74 121.30 2pg4 s LYS 70 Ca 0.06 -1.68 -0.02 0.00 0.02 0.00 0.00 55.97 54.35 2pg4 s LYS 70 Cb 0.03 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.28 2pg4 s LYS 70 CO -0.05 0.12 0.22 -0.08 -0.92 0.00 0.00 175.35 174.63 2pg4 s THR 71 N -2.49 0.00 -0.06 2.17 -1.32 -0.51 -1.75 115.64 111.68 2pg4 s THR 71 Ca 0.36 -1.90 0.06 0.00 -1.21 0.00 0.00 61.69 59.00 2pg4 s THR 71 Cb -0.01 -2.47 -0.01 0.00 -1.51 0.00 0.00 72.50 68.51 2pg4 s THR 71 CO 0.21 0.00 -0.24 -0.76 -2.21 0.00 0.00 174.62 171.62 2pg4 s LEU 72 N -3.17 2.05 -0.09 9.08 1.43 -1.26 -1.32 118.68 125.40 2pg4 s LEU 72 Ca 0.37 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2pg4 s LEU 72 Cb 0.05 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 2pg4 s LEU 72 CO 0.14 0.23 -0.02 -0.54 0.23 0.00 0.00 176.35 176.39 2pg4 s LYS 73 N -0.12 3.02 0.25 1.70 -0.14 0.52 -4.94 119.74 120.03 2pg4 s LYS 73 Ca -0.04 -0.45 -0.30 0.00 -1.36 0.00 0.00 55.97 53.82 2pg4 s LYS 73 Cb -0.14 -2.77 -0.09 0.00 -1.68 0.00 0.00 37.83 33.16 2pg4 s LYS 73 CO 0.04 0.63 1.22 -0.51 -0.76 0.00 0.00 175.35 175.97 2pg4 s LEU 74 N -0.70 4.47 0.90 3.17 1.43 -1.26 -0.20 118.68 126.49 2pg4 s LEU 74 Ca 0.11 2.37 -0.12 0.00 -1.03 0.00 0.00 54.13 55.47 2pg4 s LEU 74 Cb -0.12 -3.62 0.19 0.00 0.03 0.00 0.00 46.19 42.67 2pg4 s LEU 74 CO 0.02 -0.37 1.24 0.42 0.23 0.00 0.00 176.35 177.89 2pg4 s THR 75 N -0.56 2.03 0.16 5.49 -4.23 -0.89 -4.80 115.64 112.84 2pg4 s THR 75 Ca 0.50 -0.17 -0.09 0.00 -1.18 0.00 0.00 61.69 60.75 2pg4 s THR 75 Cb -0.35 -2.86 -0.03 0.00 1.34 0.00 0.00 72.50 70.61 2pg4 s THR 75 CO 0.42 0.00 1.50 -0.08 -0.54 0.00 0.00 174.62 175.92 2pg4 h GLU 76 N -1.36 0.89 0.01 3.99 4.57 -1.89 0.16 114.58 120.95 2pg4 h GLU 76 Ca -0.42 -0.45 0.02 0.00 -1.18 0.00 0.00 59.36 57.33 2pg4 h GLU 76 Cb 1.24 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.81 2pg4 h GLU 76 CO 0.37 1.10 -0.17 -0.22 -1.18 0.00 0.00 179.01 178.92 2pg4 h LYS 77 N 0.73 -0.27 -0.89 1.92 3.64 -1.91 -0.99 116.57 118.80 2pg4 h LYS 77 Ca 0.06 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.58 2pg4 h LYS 77 Cb 0.95 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.75 2pg4 h LYS 77 CO 0.09 -0.18 0.51 0.78 -2.27 0.00 0.00 179.45 178.38 2pg4 h GLY 78 N -0.28 1.42 0.91 5.01 0.00 -1.62 -1.68 103.07 106.84 2pg4 h GLY 78 Ca 0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2pg4 h GLY 78 CO -0.15 0.09 0.08 -0.09 0.00 0.00 0.00 176.54 176.47 2pg4 h ARG 79 N 0.81 0.54 -0.42 4.80 2.43 -0.34 -0.96 114.38 121.25 2pg4 h ARG 79 Ca 0.45 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 2pg4 h ARG 79 Cb 0.49 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2pg4 h ARG 79 CO -0.28 0.60 0.09 0.00 -1.51 0.00 0.00 179.97 178.87 2pg4 h ARG 80 N 0.39 0.68 -0.33 0.20 3.08 -0.83 -2.88 114.38 114.69 2pg4 h ARG 80 Ca 0.11 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 2pg4 h ARG 80 Cb 0.30 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2pg4 h ARG 80 CO 0.00 0.70 -0.08 1.25 -1.07 0.00 0.00 179.97 180.77 2pg4 h LEU 81 N 0.54 0.51 -0.63 3.04 5.85 -1.27 -2.68 115.31 120.68 2pg4 h LEU 81 Ca 0.13 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2pg4 h LEU 81 Cb 0.33 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2pg4 h LEU 81 CO 0.00 0.64 0.38 0.00 -0.34 0.00 0.00 178.44 179.12 2pg4 h ALA 82 N 1.42 0.82 -0.94 1.25 0.00 -1.05 -0.85 119.26 119.91 2pg4 h ALA 82 Ca 0.10 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2pg4 h ALA 82 Cb 0.45 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2pg4 h ALA 82 CO 0.02 0.12 0.62 0.93 0.00 0.00 0.00 179.25 180.94 2pg4 h GLU 83 N 0.74 1.20 -0.24 0.00 4.39 -1.27 -1.41 114.58 118.00 2pg4 h GLU 83 Ca 0.26 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.76 2pg4 h GLU 83 Cb 0.05 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 2pg4 h GLU 83 CO -0.11 0.79 -0.38 0.00 -1.16 0.00 0.00 179.01 178.15 2pg4 h LEU 85 N 0.45 0.00 -0.40 0.00 3.38 -0.68 -2.48 115.31 115.58 2pg4 h LEU 85 Ca 0.04 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2pg4 h LEU 85 Cb 0.87 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 2pg4 h LEU 85 CO 0.07 0.51 0.18 -0.33 0.09 0.00 0.00 178.44 178.96 2pg4 h GLU 86 N 0.00 0.36 -0.77 1.13 4.39 -1.28 -1.16 114.58 117.26 2pg4 h GLU 86 Ca -0.01 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 2pg4 h GLU 86 Cb 1.07 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.61 2pg4 h GLU 86 CO 0.07 0.24 0.27 0.87 -1.16 0.00 0.00 179.01 179.30 2pg4 h LYS 87 N 0.37 1.17 -0.65 2.33 1.79 -1.53 -2.12 116.57 117.92 2pg4 h LYS 87 Ca 0.17 -0.23 0.04 0.00 -2.18 0.00 0.00 60.65 58.46 2pg4 h LYS 87 Cb 0.10 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.54 2pg4 h LYS 87 CO -0.14 0.97 0.43 0.00 -1.08 0.00 0.00 179.45 179.64 2pg4 h ARG 89 N 0.73 0.05 -0.09 0.00 3.08 -0.57 -2.48 114.38 115.11 2pg4 h ARG 89 Ca 0.27 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.22 2pg4 h ARG 89 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2pg4 h ARG 89 CO -0.08 0.55 -0.25 -0.44 -1.07 0.00 0.00 179.97 178.68 2pg4 h ASP 90 N 0.04 0.15 -0.28 7.04 3.32 -0.94 -1.26 116.42 124.49 2pg4 h ASP 90 Ca -0.00 -0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.84 2pg4 h ASP 90 Cb 0.91 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.42 2pg4 h ASP 90 CO 0.07 0.41 -0.48 0.58 -1.72 0.00 0.00 179.24 178.10 2pg4 h VAL 91 N 0.14 1.28 0.00 -1.35 2.07 -1.33 -3.41 116.25 113.65 2pg4 h VAL 91 Ca 0.02 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.88 2pg4 h VAL 91 Cb 0.53 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2pg4 h VAL 91 CO 0.04 0.55 0.00 0.18 0.02 0.00 0.00 177.57 178.35 2pg4 n LEU 92 N -4.02 0.30 0.00 2.57 4.77 -1.02 -5.14 117.00 114.46 2pg4 n LEU 92 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2pg4 n LEU 92 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2pg4 n LEU 92 CO 0.49 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.16