#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v54 s ALA 3 N 0.00 0.72 -0.02 2.41 0.00 -1.26 -5.07 121.76 118.54 1v54 s ALA 3 Ca 0.00 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.43 1v54 s ALA 3 Cb 0.00 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1v54 s ALA 3 CO 0.00 -3.19 -0.16 -0.51 0.00 0.00 0.00 175.76 171.90 1v54 s LEU 4 N -6.69 2.67 0.20 0.00 1.43 -1.26 -5.12 118.68 109.91 1v54 s LEU 4 Ca 0.67 -0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 53.29 1v54 s LEU 4 Cb -0.16 -1.55 -0.08 0.00 0.03 0.00 0.00 46.19 44.44 1v54 s LEU 4 CO 0.57 0.31 0.72 0.00 0.23 0.00 0.00 176.35 178.19 1v54 s ALA 5 N -0.79 3.44 -0.16 4.21 0.00 -1.26 -5.00 121.76 122.19 1v54 s ALA 5 Ca 0.13 0.20 -0.28 0.00 0.00 0.00 0.00 51.96 52.00 1v54 s ALA 5 Cb -0.11 -2.84 -0.06 0.00 0.00 0.00 0.00 23.12 20.12 1v54 s ALA 5 CO 0.02 0.33 2.15 0.21 0.00 0.00 0.00 175.76 178.46 1v54 s LYS 6 N -1.71 3.37 0.81 0.00 2.20 -1.26 -4.99 119.74 118.17 1v54 s LYS 6 Ca 0.40 2.14 -0.09 0.00 -0.36 0.00 0.00 55.97 58.07 1v54 s LYS 6 Cb -0.18 -4.32 0.14 0.00 -1.51 0.00 0.00 37.83 31.95 1v54 s LYS 6 CO 0.22 -1.83 1.14 -1.25 -0.36 0.00 0.00 175.35 173.26 1v54 s PRO 7 N 5.89 1.42 0.04 4.03 0.04 -1.26 -5.00 135.00 140.16 1v54 s PRO 7 Ca 0.97 -0.57 -0.31 0.00 0.04 0.00 0.00 61.00 61.14 1v54 s PRO 7 Cb -0.35 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.05 1v54 s PRO 7 CO 0.36 -1.78 1.29 -1.14 0.04 0.00 0.00 177.00 175.78 1v54 s GLN 8 N -5.48 4.36 -0.00 4.56 -0.44 -1.26 -4.91 119.66 116.49 1v54 s GLN 8 Ca 0.67 1.87 0.01 0.00 -2.50 0.00 0.00 55.36 55.41 1v54 s GLN 8 Cb -0.06 -3.41 -0.01 0.00 -1.64 0.00 0.00 33.01 27.89 1v54 s GLN 8 CO 0.48 -0.40 0.03 -1.33 0.50 0.00 0.00 175.29 174.57 1v54 n MET 9 N 4.45 5.76 -4.35 1.67 2.81 -1.26 -5.00 117.12 121.20 1v54 n MET 9 Ca 0.11 -0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.69 1v54 n MET 9 Cb 0.45 -0.61 -0.10 0.00 -0.71 0.00 0.00 33.22 32.25 1v54 n MET 9 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1v54 s ARG 10 N -1.21 2.34 -1.46 0.03 0.52 -1.26 -4.74 118.95 113.17 1v54 s ARG 10 Ca 0.00 -0.88 -0.08 0.00 -0.52 0.00 0.00 55.73 54.25 1v54 s ARG 10 Cb 0.01 -2.40 0.03 0.00 0.52 0.00 0.00 34.95 33.10 1v54 s ARG 10 CO 0.03 0.55 0.83 0.41 0.02 0.00 0.00 175.30 177.14 1v54 n GLY 11 N 1.10 -0.52 0.22 -3.53 0.00 -1.26 -4.91 105.19 96.29 1v54 n GLY 11 Ca -0.14 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1v54 n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1v54 h LEU 12 N -1.85 0.49 -0.11 0.99 3.38 -1.95 -0.47 115.31 115.79 1v54 h LEU 12 Ca -0.54 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.18 1v54 h LEU 12 Cb 1.36 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1v54 h LEU 12 CO 0.58 0.81 -0.16 0.25 0.09 0.00 0.00 178.44 180.01 1v54 h LEU 13 N 0.40 0.32 -0.82 1.67 5.85 -1.99 -2.27 115.31 118.47 1v54 h LEU 13 Ca 0.04 -0.52 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 1v54 h LEU 13 Cb 0.81 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1v54 h LEU 13 CO 0.07 0.78 0.25 0.00 -0.34 0.00 0.00 178.44 179.20 1v54 h ALA 14 N 0.55 1.05 -0.68 1.25 0.00 -1.95 -1.50 119.26 117.98 1v54 h ALA 14 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1v54 h ALA 14 Cb 0.71 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1v54 h ALA 14 CO 0.04 0.65 0.38 -0.09 0.00 0.00 0.00 179.25 180.23 1v54 h ARG 15 N 1.09 0.94 -0.44 0.00 2.43 -1.07 -1.10 114.38 116.23 1v54 h ARG 15 Ca 0.24 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1v54 h ARG 15 Cb 0.27 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1v54 h ARG 15 CO -0.01 0.70 0.13 -0.09 -1.51 0.00 0.00 179.97 179.19 1v54 h ARG 16 N 0.93 0.69 -0.08 0.20 2.43 -1.10 -2.37 114.38 115.09 1v54 h ARG 16 Ca 0.24 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1v54 h ARG 16 Cb 0.03 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1v54 h ARG 16 CO -0.04 0.67 0.04 1.25 -1.51 0.00 0.00 179.97 180.39 1v54 h LEU 17 N 0.58 0.10 -0.56 3.80 5.85 -0.98 -2.18 115.31 121.92 1v54 h LEU 17 Ca 0.14 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1v54 h LEU 17 Cb 0.27 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1v54 h LEU 17 CO -0.00 0.16 0.25 0.03 -0.34 0.00 0.00 178.44 178.54 1v54 h ARG 18 N 0.04 0.46 -0.40 1.25 3.08 -1.08 0.82 114.38 118.54 1v54 h ARG 18 Ca 0.03 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1v54 h ARG 18 Cb 0.08 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1v54 h ARG 18 CO -0.00 0.30 0.23 0.35 -1.07 0.00 0.00 179.97 179.78 1v54 h PHE 19 N 0.47 0.53 0.00 3.04 3.04 -1.33 -2.45 116.94 120.24 1v54 h PHE 19 Ca 0.27 -0.00 -0.13 0.00 3.98 0.00 0.00 57.97 62.08 1v54 h PHE 19 Cb 0.25 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.57 1v54 h PHE 19 CO -0.13 0.38 -0.64 0.45 -2.02 0.00 0.00 178.31 176.36 1v54 h HIS 20 N 0.52 0.00 -0.35 0.41 3.86 -0.95 -2.07 115.15 116.56 1v54 h HIS 20 Ca 0.14 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.21 1v54 h HIS 20 Cb 0.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 1v54 h HIS 20 CO -0.03 0.64 -0.34 0.82 0.86 0.00 0.00 177.93 179.87 1v54 h ILE 21 N 0.00 1.28 -0.60 2.45 1.08 -0.76 -0.59 117.51 120.37 1v54 h ILE 21 Ca -0.01 -1.52 -0.05 0.00 -0.39 0.00 0.00 64.86 62.90 1v54 h ILE 21 Cb 1.30 1.45 -0.03 0.00 -3.07 0.00 0.00 36.82 36.48 1v54 h ILE 21 CO 0.08 0.50 0.18 0.58 -0.69 0.00 0.00 178.15 178.80 1v54 h VAL 22 N 0.65 1.25 -0.54 1.67 2.07 -1.40 -1.50 116.25 118.45 1v54 h VAL 22 Ca 0.06 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 1v54 h VAL 22 Cb 0.93 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1v54 h VAL 22 CO 0.09 0.32 0.05 1.23 0.02 0.00 0.00 177.57 179.28 1v54 h GLY 23 N 0.86 0.94 1.31 2.17 0.00 -1.26 -2.09 103.07 105.00 1v54 h GLY 23 Ca 0.19 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 1v54 h GLY 23 CO -0.00 0.57 0.16 0.00 0.00 0.00 0.00 176.54 177.26 1v54 h ALA 24 N 1.23 1.21 -0.43 3.60 0.00 -0.56 -1.49 119.26 122.81 1v54 h ALA 24 Ca 0.17 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1v54 h ALA 24 Cb 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1v54 h ALA 24 CO 0.01 0.55 -0.00 0.35 0.00 0.00 0.00 179.25 180.16 1v54 h PHE 25 N 0.84 0.84 -0.52 0.00 3.57 -0.97 -1.54 116.94 119.15 1v54 h PHE 25 Ca 0.19 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1v54 h PHE 25 Cb 0.27 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1v54 h PHE 25 CO 0.02 0.83 0.31 0.52 -2.23 0.00 0.00 178.31 177.75 1v54 h MET 26 N 0.61 0.72 -0.07 1.11 2.86 -1.00 -1.73 114.93 117.43 1v54 h MET 26 Ca 0.12 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 1v54 h MET 26 Cb 0.49 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1v54 h MET 26 CO 0.02 0.53 -0.27 0.28 1.06 0.00 0.00 176.91 178.53 1v54 h VAL 27 N 0.70 1.23 -0.46 -2.22 2.07 -1.16 -1.76 116.25 114.64 1v54 h VAL 27 Ca 0.19 -1.07 -0.10 0.00 0.82 0.00 0.00 66.70 66.53 1v54 h VAL 27 Cb 0.01 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1v54 h VAL 27 CO -0.03 0.32 -0.12 0.28 0.02 0.00 0.00 177.57 178.04 1v54 h SER 28 N 0.11 0.91 -0.31 0.57 0.02 -0.73 -0.64 113.55 113.47 1v54 h SER 28 Ca 0.02 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 1v54 h SER 28 Cb 0.55 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1v54 h SER 28 CO 0.04 1.06 0.13 -0.07 -1.14 0.00 0.00 176.83 176.85 1v54 h LEU 29 N 0.74 0.43 -1.26 5.07 4.07 -1.04 0.62 115.31 123.94 1v54 h LEU 29 Ca 0.12 -0.16 -0.06 0.00 0.08 0.00 0.00 57.88 57.86 1v54 h LEU 29 Cb 0.67 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 1v54 h LEU 29 CO 0.05 0.47 -0.15 1.23 -1.08 0.00 0.00 178.44 178.96 1v54 h GLY 30 N 0.36 0.35 1.23 0.83 0.00 -1.20 -1.17 103.07 103.47 1v54 h GLY 30 Ca 0.10 -0.23 -0.24 0.00 0.00 0.00 0.00 47.33 46.97 1v54 h GLY 30 CO -0.01 0.21 -0.88 -2.75 0.00 0.00 0.00 176.54 173.11 1v54 h PHE 31 N 0.30 1.02 -0.14 5.60 3.04 -0.79 -1.85 116.94 124.12 1v54 h PHE 31 Ca 0.06 -0.49 0.01 0.00 3.98 0.00 0.00 57.97 61.52 1v54 h PHE 31 Cb 0.45 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 1v54 h PHE 31 CO 0.01 1.32 0.07 0.00 -2.02 0.00 0.00 178.31 177.70 1v54 h ALA 32 N 0.53 0.17 -0.77 2.41 0.00 -0.51 0.97 119.26 122.05 1v54 h ALA 32 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1v54 h ALA 32 Cb 1.52 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1v54 h ALA 32 CO 0.18 -0.36 0.47 1.15 0.00 0.00 0.00 179.25 180.68 1v54 h THR 33 N 0.16 1.21 -0.04 0.00 2.02 -1.24 0.22 112.91 115.25 1v54 h THR 33 Ca 0.06 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1v54 h THR 33 Cb 0.01 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1v54 h THR 33 CO -0.04 0.22 -0.03 0.15 0.37 0.00 0.00 175.52 176.20 1v54 h PHE 34 N 1.05 0.10 -0.37 3.16 3.57 -0.95 -3.28 116.94 120.22 1v54 h PHE 34 Ca 0.28 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 1v54 h PHE 34 Cb -0.06 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1v54 h PHE 34 CO 0.00 0.51 0.22 -0.92 -2.23 0.00 0.00 178.31 175.90 1v54 h TYR 35 N -0.35 0.49 0.00 0.41 3.20 -0.52 0.33 116.97 120.54 1v54 h TYR 35 Ca 0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1v54 h TYR 35 Cb 0.49 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1v54 h TYR 35 CO 0.08 0.36 0.00 1.63 -1.64 0.00 0.00 178.16 178.59 1v54 n LYS 36 N -4.79 0.71 0.02 1.82 5.02 0.04 -1.17 118.16 119.81 1v54 n LYS 36 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1v54 n LYS 36 Cb 0.06 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1v54 n LYS 36 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1v54 n PHE 37 N 1.28 -1.97 0.96 2.13 -0.00 -1.01 -4.23 117.46 114.62 1v54 n PHE 37 Ca 0.00 0.13 0.14 0.00 -0.00 0.00 0.00 57.45 57.71 1v54 n PHE 37 Cb 0.35 0.75 0.54 0.00 -0.00 0.00 0.00 39.48 41.12 1v54 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1v54 n ALA 38 N -2.59 2.51 0.11 3.13 0.00 0.07 -3.14 120.51 120.60 1v54 n ALA 38 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1v54 n ALA 38 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1v54 n ALA 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1v54 n VAL 39 N -1.58 0.46 0.35 0.00 0.31 -0.32 -4.75 118.33 112.80 1v54 n VAL 39 Ca 0.07 0.15 -0.14 0.00 -0.01 0.00 0.00 64.34 64.41 1v54 n VAL 39 Cb 0.35 -0.90 -0.07 0.00 -0.91 0.00 0.00 33.84 32.32 1v54 n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1v54 h ALA 40 N 0.00 -1.15 -0.69 3.52 0.00 -1.72 -1.77 119.26 117.45 1v54 h ALA 40 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1v54 h ALA 40 Cb 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1v54 h ALA 40 CO 0.00 -1.09 0.44 0.93 0.00 0.00 0.00 179.25 179.53 1v54 h GLU 41 N -0.95 0.92 -0.62 0.00 4.39 -1.76 -2.07 114.58 114.49 1v54 h GLU 41 Ca -0.09 -0.07 0.10 0.00 0.34 0.00 0.00 59.36 59.64 1v54 h GLU 41 Cb 0.68 -0.20 -0.07 0.00 -0.10 0.00 0.00 28.75 29.06 1v54 h GLU 41 CO 0.15 0.63 0.23 -0.22 -1.16 0.00 0.00 179.01 178.64 1v54 h LYS 42 N 0.93 0.40 -0.32 2.33 3.64 -1.59 0.06 116.57 122.01 1v54 h LYS 42 Ca 0.25 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1v54 h LYS 42 Cb -0.07 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1v54 h LYS 42 CO -0.05 0.26 0.03 -0.09 -2.27 0.00 0.00 179.45 177.34 1v54 h ARG 43 N 0.41 0.55 -0.78 1.90 9.65 -0.89 -0.73 114.38 124.49 1v54 h ARG 43 Ca 0.31 -0.16 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1v54 h ARG 43 Cb 0.39 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.88 1v54 h ARG 43 CO -0.31 0.65 0.43 0.87 2.80 0.00 0.00 179.97 184.41 1v54 h LYS 44 N 0.37 1.09 -0.40 0.20 1.57 -0.81 -2.39 116.57 116.21 1v54 h LYS 44 Ca 0.10 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 1v54 h LYS 44 Cb 0.38 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1v54 h LYS 44 CO 0.01 0.80 -0.35 -0.22 -0.57 0.00 0.00 179.45 179.12 1v54 h LYS 45 N 1.08 0.93 -0.61 3.15 3.64 -0.91 -1.07 116.57 122.78 1v54 h LYS 45 Ca 0.27 -0.47 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1v54 h LYS 45 Cb 0.03 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1v54 h LYS 45 CO -0.04 1.12 0.37 0.00 -2.27 0.00 0.00 179.45 178.63 1v54 h ALA 46 N 0.82 0.78 -0.14 5.00 0.00 -0.86 0.26 119.26 125.12 1v54 h ALA 46 Ca 0.07 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1v54 h ALA 46 Cb 0.94 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1v54 h ALA 46 CO 0.09 0.25 -0.81 1.88 0.00 0.00 0.00 179.25 180.66 1v54 h TYR 47 N 0.83 1.07 -0.63 0.00 -1.99 -1.41 -1.57 116.97 113.26 1v54 h TYR 47 Ca 0.22 -0.48 -0.08 0.00 2.00 0.00 0.00 58.73 60.38 1v54 h TYR 47 Cb -0.03 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 38.51 1v54 h TYR 47 CO -0.02 1.32 0.06 0.00 -0.00 0.00 0.00 178.16 179.52 1v54 h ALA 48 N 0.55 0.92 -0.37 3.88 0.00 -1.03 -1.83 119.26 121.37 1v54 h ALA 48 Ca -0.06 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1v54 h ALA 48 Cb 1.44 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1v54 h ALA 48 CO 0.17 0.66 -0.08 -0.44 0.00 0.00 0.00 179.25 179.56 1v54 h ASP 49 N 0.99 0.70 -0.41 0.00 3.45 -0.47 -1.83 116.42 118.85 1v54 h ASP 49 Ca 0.19 -0.36 -0.02 0.00 0.43 0.00 0.00 57.03 57.27 1v54 h ASP 49 Cb 0.48 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.04 1v54 h ASP 49 CO 0.02 0.90 0.17 0.15 -1.57 0.00 0.00 179.24 178.90 1v54 h PHE 50 N 0.50 0.62 -0.00 4.55 3.57 -1.10 -3.19 116.94 121.88 1v54 h PHE 50 Ca 0.09 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1v54 h PHE 50 Cb 0.58 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1v54 h PHE 50 CO 0.05 0.54 -0.29 0.66 -2.23 0.00 0.00 178.31 177.04 1v54 n TYR 51 N -4.64 0.00 0.00 0.41 4.02 -0.71 -3.82 117.16 112.43 1v54 n TYR 51 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 1v54 n TYR 51 Cb 0.14 -0.32 -0.03 0.00 -0.02 0.00 0.00 39.34 39.11 1v54 n TYR 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1v54 h ARG 52 N 0.11 -0.20 -0.28 -0.72 2.43 -1.31 -3.06 114.38 111.35 1v54 h ARG 52 Ca 0.00 0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.98 1v54 h ARG 52 Cb 0.49 0.05 -0.17 0.00 -0.42 0.00 0.00 29.97 29.91 1v54 h ARG 52 CO 0.00 -0.14 -0.64 0.09 -1.51 0.00 0.00 179.97 177.77 1v54 n ASN 53 N -5.31 2.84 -4.74 -3.80 3.02 -1.26 -5.05 115.26 100.96 1v54 n ASN 53 Ca -0.03 -3.76 -0.41 0.00 -0.03 0.00 0.00 54.58 50.35 1v54 n ASN 53 Cb 0.22 -0.45 -0.04 0.00 -0.61 0.00 0.00 39.78 38.90 1v54 n ASN 53 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1v54 s TYR 54 N -3.28 3.50 -0.36 3.10 5.04 -1.16 -5.01 117.35 119.18 1v54 s TYR 54 Ca 0.42 1.51 0.02 0.00 -2.44 0.00 0.00 57.07 56.59 1v54 s TYR 54 Cb 0.38 -3.36 0.10 0.00 0.35 0.00 0.00 41.96 39.43 1v54 s TYR 54 CO -0.03 -0.93 0.09 0.34 -1.34 0.00 0.00 175.55 173.68 1v54 s ASP 55 N -0.05 4.91 0.31 4.32 -1.08 -1.26 -4.99 116.67 118.84 1v54 s ASP 55 Ca 0.51 -2.09 0.01 0.00 -0.52 0.00 0.00 52.55 50.46 1v54 s ASP 55 Cb -0.31 -1.69 0.52 0.00 -1.46 0.00 0.00 42.92 39.98 1v54 s ASP 55 CO 0.37 -0.42 1.89 0.77 0.52 0.00 0.00 175.17 178.29 1v54 h SER 56 N 7.75 0.68 -0.25 -0.34 4.64 -1.99 -1.35 113.55 122.69 1v54 h SER 56 Ca -0.07 -0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 60.98 1v54 h SER 56 Cb 1.03 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1v54 h SER 56 CO 0.57 0.64 -0.53 0.24 -0.87 0.00 0.00 176.83 176.89 1v54 h MET 57 N 0.72 0.79 -0.68 4.77 2.86 -1.99 -0.83 114.93 120.58 1v54 h MET 57 Ca 0.17 -0.52 -0.04 0.00 -2.06 0.00 0.00 59.70 57.24 1v54 h MET 57 Cb 0.21 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1v54 h MET 57 CO -0.01 1.15 0.26 -0.22 1.06 0.00 0.00 176.91 179.15 1v54 h LYS 58 N 0.54 1.02 -0.41 1.72 3.64 -1.94 0.10 116.57 121.24 1v54 h LYS 58 Ca 0.00 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1v54 h LYS 58 Cb 1.14 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 1v54 h LYS 58 CO 0.12 0.86 0.24 0.22 -2.27 0.00 0.00 179.45 178.62 1v54 h ASP 59 N 0.97 0.50 -0.58 4.20 -0.00 -1.18 -1.61 116.42 118.72 1v54 h ASP 59 Ca 0.22 -0.06 -0.03 0.00 -0.00 0.00 0.00 57.03 57.16 1v54 h ASP 59 Cb 0.23 -0.13 -0.03 0.00 -0.00 0.00 0.00 39.33 39.41 1v54 h ASP 59 CO -0.02 0.42 0.23 0.15 -0.00 0.00 0.00 179.24 180.02 1v54 h PHE 60 N 0.54 0.88 -0.65 0.28 3.04 -0.70 -1.93 116.94 118.40 1v54 h PHE 60 Ca 0.15 -0.07 0.04 0.00 3.98 0.00 0.00 57.97 62.07 1v54 h PHE 60 Cb 0.01 -0.26 -0.05 0.00 2.56 0.00 0.00 35.95 38.21 1v54 h PHE 60 CO -0.03 0.71 0.38 1.49 -2.02 0.00 0.00 178.31 178.84 1v54 h GLU 61 N 0.80 0.71 -0.43 1.11 4.57 -0.47 0.13 114.58 121.00 1v54 h GLU 61 Ca 0.19 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1v54 h GLU 61 Cb 0.20 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1v54 h GLU 61 CO -0.02 0.47 0.27 0.93 -1.18 0.00 0.00 179.01 179.49 1v54 h GLU 62 N 0.73 0.53 -0.60 1.92 5.08 -1.00 0.48 114.58 121.72 1v54 h GLU 62 Ca 0.28 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1v54 h GLU 62 Cb 0.10 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1v54 h GLU 62 CO -0.14 0.35 0.11 0.52 -1.00 0.00 0.00 179.01 178.85 1v54 h MET 63 N 0.55 0.96 -0.26 2.33 2.86 -0.78 -1.78 114.93 118.81 1v54 h MET 63 Ca 0.17 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1v54 h MET 63 Cb -0.03 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 1v54 h MET 63 CO -0.06 0.88 0.02 -0.09 1.06 0.00 0.00 176.91 178.72 1v54 h ARG 64 N 0.91 0.45 0.00 1.72 2.43 -0.07 -2.50 114.38 117.32 1v54 h ARG 64 Ca 0.19 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1v54 h ARG 64 Cb 0.38 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1v54 h ARG 64 CO 0.01 0.60 -0.07 0.87 -1.51 0.00 0.00 179.97 179.87 1v54 h LYS 65 N 0.24 0.00 0.00 0.20 1.57 -0.77 0.23 116.57 118.05 1v54 h LYS 65 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1v54 h LYS 65 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1v54 h LYS 65 CO 0.01 0.07 -0.06 0.00 -0.57 0.00 0.00 179.45 178.90 1v54 n ALA 66 N -2.40 2.48 -1.80 3.86 0.00 -0.68 -4.95 120.51 117.01 1v54 n ALA 66 Ca -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 1v54 n ALA 66 Cb 0.16 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 1v54 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1v54 n GLY 67 N 1.49 0.34 0.20 0.00 0.00 0.81 -4.97 105.19 103.07 1v54 n GLY 67 Ca 0.07 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.41 1v54 n GLY 67 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1v54 h ILE 68 N 0.00 0.33 -3.81 -0.61 3.07 -1.71 -3.46 117.51 111.30 1v54 h ILE 68 Ca -0.09 -1.31 -0.48 0.00 1.55 0.00 0.00 64.86 64.53 1v54 h ILE 68 Cb 0.84 2.03 -0.02 0.00 -0.27 0.00 0.00 36.82 39.40 1v54 h ILE 68 CO 0.11 0.17 0.22 -0.36 -1.05 0.00 0.00 178.15 177.25 1v54 s PHE 69 N -3.25 3.50 -0.10 0.16 2.99 -1.26 -5.00 117.98 115.02 1v54 s PHE 69 Ca 0.05 1.49 0.14 0.00 0.00 0.00 0.00 56.93 58.61 1v54 s PHE 69 Cb 0.07 -2.73 -0.24 0.00 0.00 0.00 0.00 43.02 40.12 1v54 s PHE 69 CO 0.67 0.12 0.44 0.94 -0.00 0.00 0.00 175.22 177.40 1v54 n GLN 70 N 0.04 0.65 0.00 0.44 7.27 -1.26 -4.31 117.38 120.21 1v54 n GLN 70 Ca 0.03 0.19 0.10 0.00 0.07 0.00 0.00 57.00 57.38 1v54 n GLN 70 Cb 0.52 -1.69 -0.04 0.00 2.41 0.00 0.00 30.24 31.44 1v54 n GLN 70 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1v54 n SER 71 N -2.95 1.62 -3.67 1.69 3.41 -1.26 -4.83 113.62 107.63 1v54 n SER 71 Ca -0.23 -1.31 -0.25 0.00 -0.26 0.00 0.00 58.87 56.81 1v54 n SER 71 Cb 1.09 0.63 -0.17 0.00 -0.26 0.00 0.00 64.21 65.50 1v54 n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1v54 s ALA 72 N -2.46 0.58 -2.52 7.33 0.00 -1.26 -5.27 121.76 118.17 1v54 s ALA 72 Ca 0.14 -0.33 0.20 0.00 0.00 0.00 0.00 51.96 51.97 1v54 s ALA 72 Cb 0.16 -0.99 0.16 0.00 0.00 0.00 0.00 23.12 22.44 1v54 s ALA 72 CO 0.60 -1.02 1.14 1.63 0.00 0.00 0.00 175.76 178.11