#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpn n SER 2 N 0.00 0.48 0.24 1.61 7.64 -1.26 -4.77 113.62 117.57 2jpn n SER 2 Ca 0.00 -1.15 0.12 0.00 1.01 0.00 0.00 58.87 58.85 2jpn n SER 2 Cb 0.00 0.00 0.59 0.00 -1.01 0.00 0.00 64.21 63.79 2jpn n SER 2 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2jpn h HIS 3 N 0.00 0.00 -1.62 1.43 -0.00 -2.12 -3.50 115.15 109.34 2jpn h HIS 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2jpn h HIS 3 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.98 2jpn h HIS 3 CO 0.00 0.16 0.00 -1.33 -0.00 0.00 0.00 177.93 176.76 2jpn n MET 4 N -3.40 0.00 0.00 5.26 0.00 -1.26 -4.07 117.12 113.65 2jpn n MET 4 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.74 2jpn n MET 4 Cb 0.35 0.00 0.22 0.00 0.00 0.00 0.00 33.22 33.79 2jpn n MET 4 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2jpn n LEU 5 N 0.00 0.00 -2.77 4.03 4.77 -1.26 -4.92 117.00 116.85 2jpn n LEU 5 Ca 0.00 0.35 -0.39 0.00 -0.03 0.00 0.00 56.01 55.94 2jpn n LEU 5 Cb 0.00 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 40.67 2jpn n LEU 5 CO 0.00 -0.24 1.08 -0.11 -1.33 0.00 0.00 177.39 176.79 2jpn n LEU 6 N -1.35 0.51 0.00 2.23 7.94 -1.26 -1.24 117.00 123.84 2jpn n LEU 6 Ca 0.04 0.47 0.00 0.00 -1.11 0.00 0.00 56.01 55.40 2jpn n LEU 6 Cb 0.08 -0.58 0.00 0.00 0.53 0.00 0.00 43.42 43.45 2jpn n LEU 6 CO 0.07 -0.50 0.00 -0.62 -1.11 0.00 0.00 177.39 175.23 2jpn n GLU 7 N 4.65 -0.72 -3.12 1.96 1.02 -1.26 -5.01 120.64 118.15 2jpn n GLU 7 Ca 0.34 0.18 -0.33 0.00 -0.02 0.00 0.00 57.16 57.34 2jpn n GLU 7 Cb -0.03 -4.37 -0.06 0.00 -0.02 0.00 0.00 31.44 26.96 2jpn n GLU 7 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2jpn s PHE 8 N -1.37 3.37 0.43 -0.32 0.08 -0.37 -5.02 117.98 114.79 2jpn s PHE 8 Ca 0.00 1.24 0.12 0.00 0.12 0.00 0.00 56.93 58.41 2jpn s PHE 8 Cb 0.00 -2.55 0.94 0.00 -0.57 0.00 0.00 43.02 40.83 2jpn s PHE 8 CO 0.00 0.09 1.98 1.57 -0.10 0.00 0.00 175.22 178.76 2jpn h LYS 9 N 2.25 0.13 0.00 0.44 2.10 -1.95 -3.36 116.57 116.19 2jpn h LYS 9 Ca -0.48 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2jpn h LYS 9 Cb 1.17 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2jpn h LYS 9 CO 0.65 0.25 0.00 1.96 -2.00 0.00 0.00 179.45 180.31 2jpn h GLN 10 N 0.13 0.00 -0.39 0.07 4.20 -1.95 -2.77 115.11 114.40 2jpn h GLN 10 Ca 0.03 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.78 2jpn h GLN 10 Cb 0.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 2jpn h GLN 10 CO 0.02 0.00 0.26 0.27 -0.67 0.00 0.00 178.83 178.71 2jpn h PHE 11 N 0.00 0.34 0.00 2.96 -0.00 -1.91 -0.35 116.94 117.97 2jpn h PHE 11 Ca 0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 57.97 57.94 2jpn h PHE 11 Cb 0.50 -0.11 -0.01 0.00 -0.00 0.00 0.00 35.95 36.33 2jpn h PHE 11 CO 0.00 0.19 -0.17 -0.07 -0.00 0.00 0.00 178.31 178.26 2jpn h LEU 12 N 0.34 0.00 0.00 2.10 4.07 -1.81 -3.04 115.31 116.97 2jpn h LEU 12 Ca 0.17 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.03 2jpn h LEU 12 Cb 0.24 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 2jpn h LEU 12 CO -0.04 0.17 -1.97 -1.22 -1.08 0.00 0.00 178.44 174.30 2jpn n TYR 13 N -3.22 0.00 0.16 1.13 4.01 -0.30 -3.66 117.16 115.28 2jpn n TYR 13 Ca 0.02 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.79 2jpn n TYR 13 Cb 0.48 -0.56 0.15 0.00 -0.31 0.00 0.00 39.34 39.10 2jpn n TYR 13 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 2jpn h GLU 14 N 0.00 0.00 -0.34 -0.72 4.11 -1.26 -3.35 114.58 113.02 2jpn h GLU 14 Ca -0.14 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.22 2jpn h GLU 14 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2jpn h GLU 14 CO 0.01 0.48 -0.08 0.00 0.07 0.00 0.00 179.01 179.49 2jpn h ALA 15 N 1.52 1.22 -0.19 1.06 0.00 -1.63 -3.37 119.26 117.87 2jpn h ALA 15 Ca -0.00 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2jpn h ALA 15 Cb 1.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2jpn h ALA 15 CO 0.06 0.51 0.13 0.77 0.00 0.00 0.00 179.25 180.72 2jpn h SER 16 N 0.53 0.10 0.00 0.00 0.02 -1.69 -3.16 113.55 109.35 2jpn h SER 16 Ca 0.10 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2jpn h SER 16 Cb 0.47 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2jpn h SER 16 CO 0.03 0.07 -0.14 -0.38 -1.14 0.00 0.00 176.83 175.27 2jpn n ILE 17 N -4.50 0.33 0.29 3.27 -0.00 -1.26 -4.78 119.36 112.72 2jpn n ILE 17 Ca 0.01 -0.37 0.12 0.00 -0.00 0.00 0.00 62.75 62.51 2jpn n ILE 17 Cb 0.19 0.67 0.04 0.00 -0.00 0.00 0.00 39.64 40.53 2jpn n ILE 17 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2jpn n ASP 18 N -0.21 0.75 0.10 4.38 2.03 -1.19 -4.42 116.55 117.98 2jpn n ASP 18 Ca 0.01 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.51 2jpn n ASP 18 Cb 0.53 0.47 0.00 0.00 -0.72 0.00 0.00 41.12 41.40 2jpn n ASP 18 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jpn n GLU 19 N -2.42 0.00 -0.14 -0.67 1.02 -1.26 -4.86 120.64 112.31 2jpn n GLU 19 Ca 0.01 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.10 2jpn n GLU 19 Cb 0.51 -0.24 0.03 0.00 -0.02 0.00 0.00 31.44 31.72 2jpn n GLU 19 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 2jpn h PHE 20 N 0.00 0.37 -0.66 -0.32 -1.00 -1.86 -2.30 116.94 111.18 2jpn h PHE 20 Ca 0.00 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.84 2jpn h PHE 20 Cb 0.02 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 39.44 2jpn h PHE 20 CO 0.00 0.18 0.44 0.52 -1.61 0.00 0.00 178.31 177.84 2jpn h MET 21 N 0.41 0.73 -0.18 1.51 2.86 -1.88 0.35 114.93 118.72 2jpn h MET 21 Ca 0.19 -0.04 -0.20 0.00 -2.06 0.00 0.00 59.70 57.59 2jpn h MET 21 Cb 0.12 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2jpn h MET 21 CO -0.15 0.48 -0.69 0.78 1.06 0.00 0.00 176.91 178.40 2jpn h GLY 22 N 0.75 0.81 0.99 8.32 0.00 -1.80 0.35 103.07 112.49 2jpn h GLY 22 Ca 0.27 -1.07 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 2jpn h GLY 22 CO -0.08 0.95 0.31 0.07 0.00 0.00 0.00 176.54 177.79 2jpn h LYS 23 N 0.53 0.84 -0.23 4.80 2.10 0.12 0.15 116.57 124.89 2jpn h LYS 23 Ca -0.03 -0.11 -0.15 0.00 -2.00 0.00 0.00 60.65 58.36 2jpn h LYS 23 Cb 1.29 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2jpn h LYS 23 CO 0.14 0.66 -0.45 -0.84 -2.00 0.00 0.00 179.45 176.96 2jpn h ILE 24 N 0.81 1.31 0.00 0.07 3.07 -0.78 -1.27 117.51 120.72 2jpn h ILE 24 Ca 0.21 -1.66 -0.01 0.00 1.55 0.00 0.00 64.86 64.94 2jpn h ILE 24 Cb 0.08 1.79 -0.00 0.00 -0.27 0.00 0.00 36.82 38.42 2jpn h ILE 24 CO -0.03 0.53 -0.04 0.00 -1.05 0.00 0.00 178.15 177.55 2jpn h ALA 25 N 0.62 1.15 -0.31 0.16 0.00 -0.62 -2.42 119.26 117.85 2jpn h ALA 25 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jpn h ALA 25 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jpn h ALA 25 CO 0.10 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.27 2jpn n SER 26 N -3.35 3.12 0.28 0.00 3.41 0.51 -4.78 113.62 112.80 2jpn n SER 26 Ca -0.02 -2.26 0.19 0.00 -0.26 0.00 0.00 58.87 56.52 2jpn n SER 26 Cb 0.18 -0.30 0.88 0.00 -0.26 0.00 0.00 64.21 64.71 2jpn n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jpn n GLN 28 N -2.95 0.00 -3.70 0.00 6.02 -1.26 -4.60 117.38 110.89 2jpn n GLN 28 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.85 2jpn n GLN 28 Cb 0.19 -3.96 -0.09 0.00 1.02 0.00 0.00 30.24 27.40 2jpn n GLN 28 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2jpn s THR 29 N -0.95 -0.00 0.22 5.09 -4.23 -1.26 -4.83 115.64 109.67 2jpn s THR 29 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 2jpn s THR 29 Cb 0.00 -0.70 -0.02 0.00 1.34 0.00 0.00 72.50 73.13 2jpn s THR 29 CO 0.00 0.00 1.57 0.25 -0.54 0.00 0.00 174.62 175.90 2jpn h LEU 30 N 5.44 0.57 -1.37 4.79 5.85 -1.74 -0.62 115.31 128.22 2jpn h LEU 30 Ca -0.28 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 2jpn h LEU 30 Cb 1.18 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2jpn h LEU 30 CO 0.19 0.94 0.21 -0.08 -0.34 0.00 0.00 178.44 179.36 2jpn h GLU 31 N 0.43 0.64 -0.14 1.25 4.81 -1.94 0.31 114.58 119.93 2jpn h GLU 31 Ca 0.03 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 2jpn h GLU 31 Cb 0.96 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.22 2jpn h GLU 31 CO 0.09 0.51 -0.54 0.78 -0.73 0.00 0.00 179.01 179.11 2jpn h GLY 32 N 0.76 0.68 0.93 1.92 0.00 -1.80 -2.93 103.07 102.63 2jpn h GLY 32 Ca 0.16 -0.91 0.04 0.00 0.00 0.00 0.00 47.33 46.61 2jpn h GLY 32 CO -0.02 0.81 0.62 -2.00 0.00 0.00 0.00 176.54 175.96 2jpn h LEU 33 N 0.27 1.03 -1.38 3.11 5.85 0.30 0.34 115.31 124.82 2jpn h LEU 33 Ca -0.03 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2jpn h LEU 33 Cb 1.17 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 2jpn h LEU 33 CO 0.11 0.70 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.55 2jpn h GLU 34 N 1.19 0.37 -0.08 1.25 4.39 -0.59 0.49 114.58 121.60 2jpn h GLU 34 Ca 0.38 -0.07 -0.23 0.00 0.34 0.00 0.00 59.36 59.78 2jpn h GLU 34 Cb 0.02 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2jpn h GLU 34 CO -0.12 0.42 -0.86 0.93 -1.16 0.00 0.00 179.01 178.22 2jpn h GLU 35 N 0.36 0.67 -0.65 2.33 4.39 -0.79 -1.40 114.58 119.48 2jpn h GLU 35 Ca 0.08 -0.61 -0.02 0.00 0.34 0.00 0.00 59.36 59.15 2jpn h GLU 35 Cb 0.29 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2jpn h GLU 35 CO 0.01 1.22 0.33 -0.07 -1.16 0.00 0.00 179.01 179.34 2jpn h LEU 36 N 0.43 0.82 -0.29 1.33 3.38 -0.22 0.17 115.31 120.93 2jpn h LEU 36 Ca -0.07 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 2jpn h LEU 36 Cb 1.49 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2jpn h LEU 36 CO 0.17 0.68 -0.05 -0.08 0.09 0.00 0.00 178.44 179.24 2jpn h GLU 37 N 0.92 0.56 -0.10 1.13 4.22 0.09 0.23 114.58 121.61 2jpn h GLU 37 Ca 0.23 -0.20 -0.01 0.00 0.08 0.00 0.00 59.36 59.46 2jpn h GLU 37 Cb 0.06 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2jpn h GLU 37 CO -0.03 0.74 0.04 0.00 -2.18 0.00 0.00 179.01 177.58 2jpn h ALA 38 N 0.80 0.13 -0.21 2.92 0.00 -1.15 -2.14 119.26 119.62 2jpn h ALA 38 Ca 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jpn h ALA 38 Cb 0.52 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jpn h ALA 38 CO 0.03 -0.29 -0.02 -0.92 0.00 0.00 0.00 179.25 178.05 2jpn h TYR 39 N 0.02 0.31 0.60 0.00 5.03 -0.34 0.16 116.97 122.75 2jpn h TYR 39 Ca 0.04 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.30 2jpn h TYR 39 Cb 0.15 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.34 2jpn h TYR 39 CO -0.02 0.34 -0.30 -0.92 -1.32 0.00 0.00 178.16 175.93 2jpn h TYR 40 N 0.30 -0.79 -0.63 -3.82 3.20 -0.53 -2.57 116.97 112.13 2jpn h TYR 40 Ca 0.07 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.93 2jpn h TYR 40 Cb 0.24 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 2jpn h TYR 40 CO 0.00 -0.48 0.42 0.87 -1.64 0.00 0.00 178.16 177.33 2jpn h LYS 41 N -0.83 0.82 -0.39 1.82 1.79 -0.41 -1.20 116.57 118.16 2jpn h LYS 41 Ca -0.08 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.24 2jpn h LYS 41 Cb 0.64 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 2jpn h LYS 41 CO 0.12 0.54 -0.16 0.87 -1.08 0.00 0.00 179.45 179.74 2jpn h LYS 42 N 0.84 0.73 -0.05 3.15 1.79 -0.73 -1.58 116.57 120.72 2jpn h LYS 42 Ca 0.23 -0.26 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 2jpn h LYS 42 Cb -0.08 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.52 2jpn h LYS 42 CO -0.05 0.85 -0.07 -0.09 -1.08 0.00 0.00 179.45 179.01 2jpn h ARG 43 N 0.65 0.14 0.00 3.15 2.43 -1.24 -3.40 114.38 116.11 2jpn h ARG 43 Ca 0.10 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2jpn h ARG 43 Cb 0.64 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2jpn h ARG 43 CO 0.04 0.62 0.00 0.28 -1.51 0.00 0.00 179.97 179.41 2jpn n VAL 44 N -4.72 1.04 0.18 0.20 0.31 -0.47 0.18 118.33 115.05 2jpn n VAL 44 Ca -0.08 0.41 0.02 0.00 -0.01 0.00 0.00 64.34 64.69 2jpn n VAL 44 Cb 0.31 -1.35 0.34 0.00 -0.91 0.00 0.00 33.84 32.24 2jpn n VAL 44 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2jpn h LYS 45 N 0.00 0.00 0.00 5.55 2.10 -1.52 -3.23 116.57 119.48 2jpn h LYS 45 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jpn h LYS 45 Cb 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 2jpn h LYS 45 CO 0.00 0.40 -1.57 -1.91 -2.00 0.00 0.00 179.45 174.37 2jpn n GLU 46 N -4.05 0.49 -1.99 0.07 4.07 0.13 -5.08 120.64 114.29 2jpn n GLU 46 Ca -0.02 -0.12 0.00 0.00 -0.06 0.00 0.00 57.16 56.97 2jpn n GLU 46 Cb 0.43 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.33 2jpn n GLU 46 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2jpn n THR 47 N -1.94 -5.94 -0.58 6.31 5.66 0.13 -5.00 114.28 112.92 2jpn n THR 47 Ca -0.01 1.45 0.01 0.00 -3.05 0.00 0.00 64.05 62.46 2jpn n THR 47 Cb 0.46 -3.16 0.02 0.00 -1.55 0.00 0.00 70.33 66.10 2jpn n THR 47 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2jpn n GLU 48 N 1.84 1.71 -1.92 1.09 1.02 -1.26 -5.03 120.64 118.09 2jpn n GLU 48 Ca 0.00 -1.35 -0.23 0.00 -0.02 0.00 0.00 57.16 55.55 2jpn n GLU 48 Cb 0.00 -0.90 -0.07 0.00 -0.02 0.00 0.00 31.44 30.45 2jpn n GLU 48 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2jpn s LEU 49 N -0.93 2.97 1.11 -4.62 1.98 -1.26 -4.98 118.68 112.96 2jpn s LEU 49 Ca 0.05 -0.90 -0.18 0.00 -2.89 0.00 0.00 54.13 50.21 2jpn s LEU 49 Cb 0.04 -2.57 0.11 0.00 0.66 0.00 0.00 46.19 44.43 2jpn s LEU 49 CO 0.00 -3.30 0.10 2.29 -1.89 0.00 0.00 176.35 173.55 2jpn n LYS 50 N 8.58 -1.57 -0.31 1.98 2.85 -1.26 -4.94 118.16 123.49 2jpn n LYS 50 Ca 0.43 -0.44 -0.04 0.00 -1.05 0.00 0.00 58.31 57.21 2jpn n LYS 50 Cb 0.46 -1.74 0.10 0.00 -0.65 0.00 0.00 35.03 33.20 2jpn n LYS 50 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2jpn h ASP 51 N -2.08 1.09 -0.18 -5.58 3.32 -2.01 -3.23 116.42 107.75 2jpn h ASP 51 Ca -0.54 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 56.41 2jpn h ASP 51 Cb 1.35 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 2jpn h ASP 51 CO 0.39 0.89 0.10 0.74 -1.72 0.00 0.00 179.24 179.64 2jpn h THR 52 N 1.21 1.01 -0.45 0.35 2.02 -1.97 -2.06 112.91 113.02 2jpn h THR 52 Ca 0.30 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.40 2jpn h THR 52 Cb 0.07 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2jpn h THR 52 CO -0.04 0.04 0.27 -0.78 0.37 0.00 0.00 175.52 175.37 2jpn h ASP 53 N 0.21 0.53 -0.31 4.18 1.82 -1.86 -3.10 116.42 117.89 2jpn h ASP 53 Ca 0.07 -0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 2jpn h ASP 53 Cb 0.00 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 2jpn h ASP 53 CO -0.04 0.43 0.16 -0.78 -1.61 0.00 0.00 179.24 177.40 2jpn h ASP 54 N 0.59 0.40 -0.15 2.28 1.82 -1.40 -0.82 116.42 119.13 2jpn h ASP 54 Ca 0.16 -0.11 -0.05 0.00 -0.39 0.00 0.00 57.03 56.64 2jpn h ASP 54 Cb -0.01 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 39.90 2jpn h ASP 54 CO -0.03 0.39 -0.10 0.40 -1.61 0.00 0.00 179.24 178.30 2jpn h ILE 55 N 0.37 1.33 -0.01 2.25 5.03 -1.56 0.53 117.51 125.44 2jpn h ILE 55 Ca 0.11 -1.19 -0.00 0.00 -0.12 0.00 0.00 64.86 63.66 2jpn h ILE 55 Cb 0.09 1.78 -0.00 0.00 -3.03 0.00 0.00 36.82 35.66 2jpn h ILE 55 CO -0.02 0.35 0.00 0.28 -0.68 0.00 0.00 178.15 178.09 2jpn h SER 56 N -0.01 0.02 -0.20 1.72 0.02 -1.38 -1.00 113.55 112.73 2jpn h SER 56 Ca 0.03 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 2jpn h SER 56 Cb 0.59 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 2jpn h SER 56 CO 0.03 0.25 -0.07 1.62 -1.14 0.00 0.00 176.83 177.51 2jpn h VAL 57 N -0.21 1.30 -0.32 2.27 3.04 -1.25 -3.13 116.25 117.95 2jpn h VAL 57 Ca 0.00 -1.10 -0.13 0.00 -1.01 0.00 0.00 66.70 64.46 2jpn h VAL 57 Cb 0.24 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.12 2jpn h VAL 57 CO 0.00 0.33 -0.34 -0.09 -1.01 0.00 0.00 177.57 176.46 2jpn h ARG 58 N 0.10 0.71 -0.00 4.17 9.65 -0.83 0.32 114.38 128.51 2jpn h ARG 58 Ca 0.05 -0.34 -0.09 0.00 -1.10 0.00 0.00 59.98 58.50 2jpn h ARG 58 Cb 0.54 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 2jpn h ARG 58 CO 0.02 0.95 -0.43 0.22 2.80 0.00 0.00 179.97 183.54 2jpn h ASP 59 N 0.60 0.00 -0.21 -3.80 3.58 -1.28 0.40 116.42 115.71 2jpn h ASP 59 Ca 0.06 -0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.37 2jpn h ASP 59 Cb 0.86 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2jpn h ASP 59 CO 0.07 0.43 -0.41 0.00 -2.88 0.00 0.00 179.24 176.45 2jpn h ALA 60 N 1.57 0.33 0.08 -0.78 0.00 -1.40 0.07 119.26 119.13 2jpn h ALA 60 Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jpn h ALA 60 Cb 0.75 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2jpn h ALA 60 CO 0.06 0.44 -0.04 1.25 0.00 0.00 0.00 179.25 180.95 2jpn h LEU 61 N 0.33 -0.09 -1.88 0.00 6.46 0.04 0.47 115.31 120.64 2jpn h LEU 61 Ca 0.01 -0.44 -0.00 0.00 -0.12 0.00 0.00 57.88 57.32 2jpn h LEU 61 Cb 1.01 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.96 2jpn h LEU 61 CO 0.09 0.42 0.02 0.00 -0.62 0.00 0.00 178.44 178.35 2jpn h ALA 62 N 0.19 1.91 0.14 1.25 0.00 -0.41 0.50 119.26 122.84 2jpn h ALA 62 Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2jpn h ALA 62 Cb 0.52 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2jpn h ALA 62 CO 0.02 0.08 -0.26 0.78 0.00 0.00 0.00 179.25 179.87 2jpn h GLY 63 N 0.16 -0.49 1.59 0.00 0.00 -0.49 -2.69 103.07 101.15 2jpn h GLY 63 Ca 0.02 0.30 -0.13 0.00 0.00 0.00 0.00 47.33 47.52 2jpn h GLY 63 CO -0.00 -0.22 -0.43 1.70 0.00 0.00 0.00 176.54 177.59 2jpn h LYS 64 N -0.47 0.45 -0.24 4.80 1.63 0.17 -3.34 116.57 119.57 2jpn h LYS 64 Ca 0.02 -0.23 0.04 0.00 -0.85 0.00 0.00 60.65 59.63 2jpn h LYS 64 Cb 0.49 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.09 2jpn h LYS 64 CO -0.13 0.80 -0.01 -0.09 -3.45 0.00 0.00 179.45 176.56 2jpn h ARG 65 N 0.37 0.06 -0.71 1.90 2.43 -0.57 0.13 114.38 117.99 2jpn h ARG 65 Ca 0.03 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 2jpn h ARG 65 Cb 0.91 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.40 2jpn h ARG 65 CO 0.08 0.04 0.46 0.00 -1.51 0.00 0.00 179.97 179.04 2jpn h ALA 66 N 1.21 1.70 -0.13 2.80 0.00 -1.64 0.17 119.26 123.38 2jpn h ALA 66 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2jpn h ALA 66 Cb 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jpn h ALA 66 CO -0.20 0.19 -0.02 0.93 0.00 0.00 0.00 179.25 180.15 2jpn h GLU 67 N 0.75 0.24 -0.14 0.00 4.39 -1.23 -2.14 114.58 116.44 2jpn h GLU 67 Ca 0.30 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.82 2jpn h GLU 67 Cb 0.23 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2jpn h GLU 67 CO -0.10 0.52 -0.31 -0.07 -1.16 0.00 0.00 179.01 177.89 2jpn h LEU 68 N -0.07 0.27 -0.41 1.33 3.38 0.05 -0.41 115.31 119.45 2jpn h LEU 68 Ca 0.03 -0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 2jpn h LEU 68 Cb 0.43 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2jpn h LEU 68 CO 0.01 0.58 -0.79 -0.33 0.09 0.00 0.00 178.44 177.99 2jpn h GLU 69 N 0.23 0.13 -0.07 1.13 5.08 -0.70 0.39 114.58 120.76 2jpn h GLU 69 Ca 0.03 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 2jpn h GLU 69 Cb 0.68 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2jpn h GLU 69 CO 0.05 0.85 -0.49 0.22 -1.00 0.00 0.00 179.01 178.65 2jpn h ASP 70 N 0.08 0.20 0.47 1.42 3.58 -1.28 -3.32 116.42 117.57 2jpn h ASP 70 Ca -0.02 -0.09 -0.18 0.00 0.42 0.00 0.00 57.03 57.15 2jpn h ASP 70 Cb 1.39 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 2jpn h ASP 70 CO 0.11 0.66 -0.78 -1.28 -2.88 0.00 0.00 179.24 175.07 2jpn h SER 71 N 0.15 0.29 -1.63 2.28 0.87 0.50 -3.47 113.55 112.54 2jpn h SER 71 Ca 0.01 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.32 2jpn h SER 71 Cb 0.92 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 2jpn h SER 71 CO 0.07 0.96 -0.04 -0.67 -0.53 0.00 0.00 176.83 176.63 2jpn n ASP 72 N -3.75 -0.60 -4.77 6.23 2.03 0.12 -4.96 116.55 110.86 2jpn n ASP 72 Ca -0.03 0.05 -0.37 0.00 0.52 0.00 0.00 54.79 54.96 2jpn n ASP 72 Cb 0.74 -0.95 -0.01 0.00 -0.72 0.00 0.00 41.12 40.18 2jpn n ASP 72 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jpn s ASP 73 N -1.05 6.07 0.08 1.67 2.15 -1.26 -4.95 116.67 119.38 2jpn s ASP 73 Ca 0.00 2.29 0.00 0.00 0.43 0.00 0.00 52.55 55.28 2jpn s ASP 73 Cb 0.00 -2.60 -0.04 0.00 -0.30 0.00 0.00 42.92 39.98 2jpn s ASP 73 CO 0.00 -0.99 -0.04 -1.61 -0.17 0.00 0.00 175.17 172.36 2jpn s GLU 74 N -2.81 0.73 0.00 4.34 2.02 -1.26 -2.79 118.70 118.94 2jpn s GLU 74 Ca 0.65 -1.29 0.21 0.00 0.02 0.00 0.00 54.97 54.57 2jpn s GLU 74 Cb -0.28 0.02 1.09 0.00 0.10 0.00 0.00 34.13 35.06 2jpn s GLU 74 CO 0.34 -0.08 1.72 1.55 0.02 0.00 0.00 175.26 178.81 2jpn n VAL 75 N 0.03 0.05 0.00 2.63 3.14 -1.26 -4.38 118.33 118.54 2jpn n VAL 75 Ca -0.13 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 2jpn n VAL 75 Cb 0.61 -0.10 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 2jpn n VAL 75 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2jpn n GLU 76 N -0.47 0.30 0.06 1.45 0.28 -1.26 -4.59 120.64 116.41 2jpn n GLU 76 Ca 0.16 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 57.06 2jpn n GLU 76 Cb 0.15 -0.18 0.03 0.00 1.43 0.00 0.00 31.44 32.87 2jpn n GLU 76 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2jpn h GLU 77 N 0.00 0.38 0.00 3.44 5.08 -2.03 -3.38 114.58 118.07 2jpn h GLU 77 Ca 0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2jpn h GLU 77 Cb 0.00 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2jpn h GLU 77 CO 0.00 0.96 0.00 0.43 -1.00 0.00 0.00 179.01 179.40 2jpn n SER 78 N -3.82 0.00 0.00 1.42 7.64 -1.26 -5.19 113.62 112.41 2jpn n SER 78 Ca -0.04 -1.00 0.06 0.00 1.01 0.00 0.00 58.87 58.90 2jpn n SER 78 Cb 0.72 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 64.28 2jpn n SER 78 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36