#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 0.00 0.00 1.61 7.64 -1.26 -4.29 113.62 117.32 2jpn n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jpn n SER 2 Cb 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2jpn n SER 2 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2jpn n HIS 3 N -0.90 0.00 -2.42 1.43 -0.00 -1.26 -5.11 115.22 106.96 2jpn n HIS 3 Ca 0.00 -0.03 -0.30 0.00 -0.00 0.00 0.00 57.72 57.40 2jpn n HIS 3 Cb 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 29.98 2jpn n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2jpn s MET 4 N -0.05 3.66 0.58 -0.41 1.00 -1.26 -4.99 119.30 117.82 2jpn s MET 4 Ca 0.00 0.52 0.29 0.00 0.00 0.00 0.00 55.69 56.51 2jpn s MET 4 Cb 0.00 -2.26 1.76 0.00 0.00 0.00 0.00 34.83 34.33 2jpn s MET 4 CO 0.00 -0.29 2.22 -0.07 0.00 0.00 0.00 175.02 176.89 2jpn h LEU 5 N 0.37 0.00 -1.15 -0.03 3.38 -1.99 -2.92 115.31 112.97 2jpn h LEU 5 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2jpn h LEU 5 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2jpn h LEU 5 CO 0.62 0.02 0.00 0.18 0.09 0.00 0.00 178.44 179.36 2jpn n LEU 6 N -3.80 0.52 0.09 1.67 4.32 -1.26 -1.87 117.00 116.66 2jpn n LEU 6 Ca -0.03 0.72 0.08 0.00 -0.02 0.00 0.00 56.01 56.76 2jpn n LEU 6 Cb 0.11 -0.75 0.37 0.00 -1.62 0.00 0.00 43.42 41.53 2jpn n LEU 6 CO 0.28 -0.83 0.73 -0.62 -1.22 0.00 0.00 177.39 175.73 2jpn n GLU 7 N -2.17 0.09 -4.11 3.23 -0.58 -1.10 -4.78 120.64 111.21 2jpn n GLU 7 Ca -0.01 0.51 -0.12 0.00 -0.42 0.00 0.00 57.16 57.12 2jpn n GLU 7 Cb 0.07 -1.75 -0.11 0.00 -0.57 0.00 0.00 31.44 29.08 2jpn n GLU 7 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2jpn s PHE 8 N -3.28 0.78 0.25 -0.32 0.08 -0.78 -5.08 117.98 109.63 2jpn s PHE 8 Ca 0.01 -0.69 0.07 0.00 0.12 0.00 0.00 56.93 56.44 2jpn s PHE 8 Cb 0.05 -0.46 0.30 0.00 -0.57 0.00 0.00 43.02 42.35 2jpn s PHE 8 CO 0.19 -0.11 1.59 0.87 -0.10 0.00 0.00 175.22 177.65 2jpn h LYS 9 N 3.79 0.12 0.00 0.44 1.79 -1.86 -3.37 116.57 117.48 2jpn h LYS 9 Ca -0.36 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2jpn h LYS 9 Cb 1.18 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2jpn h LYS 9 CO 0.52 0.70 0.00 1.96 -1.08 0.00 0.00 179.45 181.54 2jpn h GLN 10 N 0.09 0.00 -0.39 3.15 4.20 -1.98 -1.78 115.11 118.40 2jpn h GLN 10 Ca -0.01 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 2jpn h GLN 10 Cb 1.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 2jpn h GLN 10 CO 0.09 0.00 0.26 0.27 -0.67 0.00 0.00 178.83 178.78 2jpn h PHE 11 N 0.00 0.34 0.00 2.96 -0.00 -1.85 -1.30 116.94 117.09 2jpn h PHE 11 Ca 0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 57.97 57.93 2jpn h PHE 11 Cb 0.22 -0.11 -0.01 0.00 -0.00 0.00 0.00 35.95 36.05 2jpn h PHE 11 CO 0.00 0.19 -0.21 -0.07 -0.00 0.00 0.00 178.31 178.22 2jpn h LEU 12 N 0.35 0.00 0.00 2.10 4.07 -1.63 -3.00 115.31 117.19 2jpn h LEU 12 Ca 0.17 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.05 2jpn h LEU 12 Cb 0.22 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 2jpn h LEU 12 CO -0.04 0.21 -1.48 -1.22 -1.08 0.00 0.00 178.44 174.83 2jpn n TYR 13 N -3.16 0.65 0.15 1.13 4.01 -0.59 -3.32 117.16 116.03 2jpn n TYR 13 Ca 0.03 0.20 0.03 0.00 -0.16 0.00 0.00 57.90 58.00 2jpn n TYR 13 Cb 0.60 -0.88 0.15 0.00 -0.31 0.00 0.00 39.34 38.90 2jpn n TYR 13 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2jpn h GLU 14 N 0.00 0.00 -0.48 -0.72 5.08 -1.41 -3.40 114.58 113.65 2jpn h GLU 14 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2jpn h GLU 14 Cb 1.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2jpn h GLU 14 CO 0.01 0.48 0.31 0.00 -1.00 0.00 0.00 179.01 178.82 2jpn h ALA 15 N 1.52 0.61 -0.36 3.43 0.00 -1.52 -3.36 119.26 119.58 2jpn h ALA 15 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2jpn h ALA 15 Cb 1.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2jpn h ALA 15 CO 0.06 0.07 0.24 0.77 0.00 0.00 0.00 179.25 180.39 2jpn h SER 16 N 0.65 0.34 0.00 0.00 0.02 -1.78 -3.11 113.55 109.67 2jpn h SER 16 Ca 0.17 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2jpn h SER 16 Cb -0.05 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.40 2jpn h SER 16 CO -0.04 0.24 0.00 -0.38 -1.14 0.00 0.00 176.83 175.51 2jpn n ILE 17 N -4.49 0.18 0.14 3.27 -0.00 -1.26 -4.47 119.36 112.73 2jpn n ILE 17 Ca 0.03 -0.41 -0.01 0.00 -0.00 0.00 0.00 62.75 62.36 2jpn n ILE 17 Cb 0.13 1.17 0.19 0.00 -0.00 0.00 0.00 39.64 41.13 2jpn n ILE 17 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 2jpn h ASP 18 N 0.00 0.04 0.00 4.38 3.58 -1.68 -3.38 116.42 119.36 2jpn h ASP 18 Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2jpn h ASP 18 Cb 0.32 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2jpn h ASP 18 CO 0.00 0.61 -0.33 -0.62 -2.88 0.00 0.00 179.24 176.01 2jpn n GLU 19 N -3.86 0.00 -0.05 0.28 1.02 -1.26 -4.89 120.64 111.89 2jpn n GLU 19 Ca -0.01 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.04 2jpn n GLU 19 Cb 0.58 -0.60 -0.02 0.00 -0.02 0.00 0.00 31.44 31.38 2jpn n GLU 19 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2jpn h PHE 20 N 0.00 0.07 -0.19 -0.32 3.04 -1.78 0.19 116.94 117.94 2jpn h PHE 20 Ca 0.00 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.01 2jpn h PHE 20 Cb 0.33 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 2jpn h PHE 20 CO 0.00 0.02 0.14 0.52 -2.02 0.00 0.00 178.31 176.97 2jpn h MET 21 N 0.12 0.06 -0.16 1.11 2.86 -1.81 0.34 114.93 117.46 2jpn h MET 21 Ca 0.10 -0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.52 2jpn h MET 21 Cb 0.09 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.75 2jpn h MET 21 CO -0.13 0.04 -0.74 0.78 1.06 0.00 0.00 176.91 177.92 2jpn h GLY 22 N 0.07 0.81 0.96 8.32 0.00 -1.54 -0.05 103.07 111.64 2jpn h GLY 22 Ca 0.09 -1.11 -0.06 0.00 0.00 0.00 0.00 47.33 46.25 2jpn h GLY 22 CO -0.01 0.99 0.03 0.07 0.00 0.00 0.00 176.54 177.62 2jpn h LYS 23 N 0.51 0.75 -0.21 4.80 2.10 0.16 0.19 116.57 124.87 2jpn h LYS 23 Ca -0.04 -0.22 -0.14 0.00 -2.00 0.00 0.00 60.65 58.24 2jpn h LYS 23 Cb 1.36 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2jpn h LYS 23 CO 0.15 0.80 -0.43 -0.84 -2.00 0.00 0.00 179.45 177.13 2jpn h ILE 24 N 0.60 1.32 0.00 0.07 3.07 -1.18 -1.93 117.51 119.47 2jpn h ILE 24 Ca 0.13 -1.65 -0.01 0.00 1.55 0.00 0.00 64.86 64.88 2jpn h ILE 24 Cb 0.44 1.84 -0.00 0.00 -0.27 0.00 0.00 36.82 38.83 2jpn h ILE 24 CO 0.02 0.52 -0.04 0.00 -1.05 0.00 0.00 178.15 177.59 2jpn h ALA 25 N 0.61 1.16 -0.32 0.16 0.00 -0.63 -2.17 119.26 118.07 2jpn h ALA 25 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jpn h ALA 25 Cb 1.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jpn h ALA 25 CO 0.09 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 2jpn n SER 26 N -3.37 3.14 0.32 0.00 3.41 0.63 -4.77 113.62 112.99 2jpn n SER 26 Ca -0.02 -2.25 0.21 0.00 -0.26 0.00 0.00 58.87 56.55 2jpn n SER 26 Cb 0.17 -0.30 1.05 0.00 -0.26 0.00 0.00 64.21 64.86 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 -3.09 0.00 -3.70 0.00 6.02 -1.26 -4.59 117.38 110.76 2jpn n GLN 28 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.84 2jpn n GLN 28 Cb 0.15 -3.93 -0.09 0.00 1.02 0.00 0.00 30.24 27.39 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 -0.93 -0.00 0.23 5.09 -4.23 -1.26 -5.04 115.64 109.50 2jpn s THR 29 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.53 2jpn s THR 29 Cb 0.00 -0.70 -0.02 0.00 1.34 0.00 0.00 72.50 73.12 2jpn s THR 29 CO 0.00 0.00 1.57 0.25 -0.54 0.00 0.00 174.62 175.91 2jpn h LEU 30 N 5.47 0.45 -1.25 4.79 5.85 -1.87 -0.71 115.31 128.05 2jpn h LEU 30 Ca -0.28 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 2jpn h LEU 30 Cb 1.18 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 2jpn h LEU 30 CO 0.19 0.88 0.26 -0.08 -0.34 0.00 0.00 178.44 179.35 2jpn h GLU 31 N 0.32 0.77 -0.15 1.25 4.81 -1.94 0.33 114.58 119.97 2jpn h GLU 31 Ca 0.01 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 2jpn h GLU 31 Cb 1.01 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.25 2jpn h GLU 31 CO 0.09 0.61 -0.56 0.78 -0.73 0.00 0.00 179.01 179.20 2jpn h GLY 32 N 0.88 0.71 1.06 1.92 0.00 -1.81 -2.90 103.07 102.94 2jpn h GLY 32 Ca 0.19 -0.95 0.03 0.00 0.00 0.00 0.00 47.33 46.60 2jpn h GLY 32 CO -0.02 0.85 0.55 -2.00 0.00 0.00 0.00 176.54 175.92 2jpn h LEU 33 N 0.31 0.89 -1.20 3.11 5.85 0.10 0.36 115.31 124.74 2jpn h LEU 33 Ca -0.03 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 2jpn h LEU 33 Cb 1.19 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2jpn h LEU 33 CO 0.12 0.61 -0.17 -0.33 -0.34 0.00 0.00 178.44 178.33 2jpn h GLU 34 N 1.04 0.34 -0.09 1.25 4.39 -0.54 0.53 114.58 121.50 2jpn h GLU 34 Ca 0.33 -0.10 -0.23 0.00 0.34 0.00 0.00 59.36 59.70 2jpn h GLU 34 Cb 0.03 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2jpn h GLU 34 CO -0.10 0.51 -0.86 0.93 -1.16 0.00 0.00 179.01 178.33 2jpn h GLU 35 N 0.31 0.69 -0.77 2.33 4.39 -0.84 -0.73 114.58 119.96 2jpn h GLU 35 Ca 0.06 -0.62 -0.02 0.00 0.34 0.00 0.00 59.36 59.12 2jpn h GLU 35 Cb 0.49 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 2jpn h GLU 35 CO 0.03 1.23 0.41 -0.07 -1.16 0.00 0.00 179.01 179.45 2jpn h LEU 36 N 0.44 0.96 -0.40 1.33 3.38 -0.21 0.19 115.31 121.00 2jpn h LEU 36 Ca -0.07 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2jpn h LEU 36 Cb 1.49 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2jpn h LEU 36 CO 0.17 0.78 0.02 -0.08 0.09 0.00 0.00 178.44 179.43 2jpn h GLU 37 N 1.08 0.70 -0.16 1.13 4.22 0.17 0.17 114.58 121.88 2jpn h GLU 37 Ca 0.27 -0.21 -0.02 0.00 0.08 0.00 0.00 59.36 59.48 2jpn h GLU 37 Cb 0.05 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2jpn h GLU 37 CO -0.04 0.77 0.04 0.00 -2.18 0.00 0.00 179.01 177.59 2jpn h ALA 38 N 0.90 0.22 -0.27 2.92 0.00 -0.99 -2.37 119.26 119.67 2jpn h ALA 38 Ca 0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2jpn h ALA 38 Cb 0.44 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jpn h ALA 38 CO 0.02 -0.14 0.02 -0.92 0.00 0.00 0.00 179.25 178.22 2jpn h TYR 39 N 0.07 0.40 0.61 0.00 3.20 -0.16 0.19 116.97 121.27 2jpn h TYR 39 Ca 0.05 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2jpn h TYR 39 Cb 0.27 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2jpn h TYR 39 CO 0.01 0.39 -0.31 -0.92 -1.64 0.00 0.00 178.16 175.70 2jpn h TYR 40 N 0.39 -0.81 -0.73 -3.82 3.20 -0.69 -0.01 116.97 114.50 2jpn h TYR 40 Ca 0.09 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 2jpn h TYR 40 Cb 0.23 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 2jpn h TYR 40 CO 0.01 -0.49 0.45 0.87 -1.64 0.00 0.00 178.16 177.35 2jpn h LYS 41 N -0.84 0.99 -0.44 1.82 1.79 -0.60 -1.77 116.57 117.51 2jpn h LYS 41 Ca -0.08 -0.08 -0.09 0.00 -2.18 0.00 0.00 60.65 58.22 2jpn h LYS 41 Cb 0.65 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 2jpn h LYS 41 CO 0.12 0.68 -0.08 0.87 -1.08 0.00 0.00 179.45 179.97 2jpn h LYS 42 N 1.01 0.84 -0.18 3.15 1.79 -0.63 -3.27 116.57 119.28 2jpn h LYS 42 Ca 0.26 -0.31 -0.09 0.00 -2.18 0.00 0.00 60.65 58.34 2jpn h LYS 42 Cb -0.06 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.54 2jpn h LYS 42 CO -0.05 0.93 -0.23 -0.09 -1.08 0.00 0.00 179.45 178.94 2jpn h ARG 43 N 0.67 0.46 -0.84 3.15 2.43 -0.65 -3.37 114.38 116.25 2jpn h ARG 43 Ca 0.12 -0.26 0.20 0.00 -0.81 0.00 0.00 59.98 59.22 2jpn h ARG 43 Cb 0.61 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.05 2jpn h ARG 43 CO 0.04 0.85 0.30 0.28 -1.51 0.00 0.00 179.97 179.93 2jpn h VAL 44 N 0.11 0.48 -0.16 0.20 2.07 -1.38 0.94 116.25 118.52 2jpn h VAL 44 Ca 0.02 -0.12 -0.12 0.00 0.82 0.00 0.00 66.70 67.30 2jpn h VAL 44 Cb 0.79 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2jpn h VAL 44 CO 0.05 0.06 -0.42 0.07 0.02 0.00 0.00 177.57 177.35 2jpn h LYS 45 N 0.34 0.37 0.00 1.57 2.10 -1.75 -3.30 116.57 115.90 2jpn h LYS 45 Ca 0.50 -0.19 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 2jpn h LYS 45 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2jpn h LYS 45 CO -0.53 0.73 -0.48 -1.91 -2.00 0.00 0.00 179.45 175.27 2jpn n GLU 46 N -4.01 0.24 0.00 0.07 4.07 0.25 -4.90 120.64 116.35 2jpn n GLU 46 Ca -0.02 0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 2jpn n GLU 46 Cb 0.51 -1.67 0.00 0.00 -0.06 0.00 0.00 31.44 30.21 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 -2.03 0.00 -2.98 6.31 5.66 -0.75 -5.09 114.28 115.39 2jpn n THR 47 Ca 0.04 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.87 2jpn n THR 47 Cb 0.42 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.19 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 0.00 1.36 -1.78 1.09 1.02 -1.26 -4.90 120.64 116.17 2jpn n GLU 48 Ca 0.00 -3.54 -0.22 0.00 -0.02 0.00 0.00 57.16 53.38 2jpn n GLU 48 Cb 0.00 -1.65 -0.06 0.00 -0.02 0.00 0.00 31.44 29.71 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 -2.78 3.06 1.06 -4.62 0.20 -1.25 -4.97 118.68 109.37 2jpn s LEU 49 Ca 0.38 -0.09 -0.20 0.00 0.69 0.00 0.00 54.13 54.90 2jpn s LEU 49 Cb 0.38 -2.55 0.01 0.00 -0.43 0.00 0.00 46.19 43.60 2jpn s LEU 49 CO -0.06 -3.26 -0.38 2.29 -0.29 0.00 0.00 176.35 174.65 2jpn n LYS 50 N 8.88 -0.95 -0.12 1.98 0.00 -1.26 -4.93 118.16 121.76 2jpn n LYS 50 Ca 0.41 -0.26 -0.01 0.00 -0.00 0.00 0.00 58.31 58.45 2jpn n LYS 50 Cb 0.46 -1.50 0.25 0.00 -0.00 0.00 0.00 35.03 34.24 2jpn n LYS 50 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2jpn h ASP 51 N -1.68 0.73 -0.45 -5.58 2.03 -2.00 -3.27 116.42 106.20 2jpn h ASP 51 Ca -0.48 -0.08 -0.02 0.00 -0.73 0.00 0.00 57.03 55.71 2jpn h ASP 51 Cb 1.36 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 39.65 2jpn h ASP 51 CO 0.33 0.64 0.19 0.74 -1.03 0.00 0.00 179.24 180.11 2jpn h THR 52 N 0.80 1.20 -0.26 1.15 2.02 -1.97 -2.26 112.91 113.59 2jpn h THR 52 Ca 0.19 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 2jpn h THR 52 Cb 0.13 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2jpn h THR 52 CO -0.02 0.22 0.14 -0.78 0.37 0.00 0.00 175.52 175.45 2jpn h ASP 53 N 0.58 0.32 -0.34 4.18 1.82 -1.92 -2.93 116.42 118.13 2jpn h ASP 53 Ca 0.15 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 2jpn h ASP 53 Cb 0.17 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.08 2jpn h ASP 53 CO -0.01 0.30 0.21 -0.78 -1.61 0.00 0.00 179.24 177.35 2jpn h ASP 54 N 0.31 0.39 -0.14 2.28 3.58 -1.48 -0.55 116.42 120.80 2jpn h ASP 54 Ca 0.09 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.47 2jpn h ASP 54 Cb 0.05 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.00 2jpn h ASP 54 CO -0.02 0.31 -0.09 0.16 -2.88 0.00 0.00 179.24 176.73 2jpn h ILE 55 N 0.45 1.32 -0.02 2.25 3.07 -1.63 0.14 117.51 123.08 2jpn h ILE 55 Ca 0.12 -1.15 -0.00 0.00 1.55 0.00 0.00 64.86 65.38 2jpn h ILE 55 Cb -0.03 1.78 -0.00 0.00 -0.27 0.00 0.00 36.82 38.30 2jpn h ILE 55 CO -0.02 0.34 0.01 0.28 -1.05 0.00 0.00 178.15 177.70 2jpn h SER 56 N -0.03 0.04 -0.20 2.16 0.02 -1.14 -0.24 113.55 114.15 2jpn h SER 56 Ca 0.03 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 2jpn h SER 56 Cb 0.57 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2jpn h SER 56 CO 0.02 0.26 -0.07 1.62 -1.14 0.00 0.00 176.83 177.53 2jpn h VAL 57 N -0.19 1.30 -0.61 2.27 3.04 -1.29 -3.12 116.25 117.64 2jpn h VAL 57 Ca 0.01 -1.09 -0.02 0.00 -1.01 0.00 0.00 66.70 64.58 2jpn h VAL 57 Cb 0.24 1.59 -0.03 0.00 -2.01 0.00 0.00 31.29 31.09 2jpn h VAL 57 CO 0.00 0.33 0.29 -0.09 -1.01 0.00 0.00 177.57 177.09 2jpn h ARG 58 N 0.12 0.89 0.00 4.17 9.65 -0.61 0.28 114.38 128.88 2jpn h ARG 58 Ca 0.05 -0.13 -0.08 0.00 -1.10 0.00 0.00 59.98 58.72 2jpn h ARG 58 Cb 0.54 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 2jpn h ARG 58 CO 0.02 0.72 -0.38 0.22 2.80 0.00 0.00 179.97 183.36 2jpn h ASP 59 N 0.84 0.00 -0.17 -3.80 3.58 -1.12 0.53 116.42 116.29 2jpn h ASP 59 Ca 0.21 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.56 2jpn h ASP 59 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2jpn h ASP 59 CO -0.03 0.38 -0.30 0.00 -2.88 0.00 0.00 179.24 176.42 2jpn h ALA 60 N 1.62 0.26 0.08 -0.78 0.00 -1.42 -0.52 119.26 118.49 2jpn h ALA 60 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2jpn h ALA 60 Cb 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2jpn h ALA 60 CO 0.05 0.28 -0.04 1.25 0.00 0.00 0.00 179.25 180.79 2jpn h LEU 61 N 0.13 -0.09 -1.90 0.00 6.46 0.26 0.50 115.31 120.67 2jpn h LEU 61 Ca 0.01 -0.42 -0.00 0.00 -0.12 0.00 0.00 57.88 57.35 2jpn h LEU 61 Cb 0.88 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.83 2jpn h LEU 61 CO 0.07 0.40 0.02 0.00 -0.62 0.00 0.00 178.44 178.31 2jpn h ALA 62 N 0.24 1.92 0.12 1.25 0.00 -0.16 0.63 119.26 123.27 2jpn h ALA 62 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jpn h ALA 62 Cb 0.50 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2jpn h ALA 62 CO 0.02 0.07 -0.36 0.78 0.00 0.00 0.00 179.25 179.76 2jpn h GLY 63 N 0.14 -0.70 1.60 0.00 0.00 -0.48 -2.84 103.07 100.78 2jpn h GLY 63 Ca 0.02 0.43 -0.13 0.00 0.00 0.00 0.00 47.33 47.65 2jpn h GLY 63 CO -0.00 -0.26 -0.45 1.70 0.00 0.00 0.00 176.54 177.53 2jpn h LYS 64 N -0.59 0.44 -0.33 4.80 1.63 0.27 -3.35 116.57 119.45 2jpn h LYS 64 Ca 0.03 -0.23 0.05 0.00 -0.85 0.00 0.00 60.65 59.64 2jpn h LYS 64 Cb 0.62 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.21 2jpn h LYS 64 CO -0.21 0.80 0.06 -0.09 -3.45 0.00 0.00 179.45 176.56 2jpn h ARG 65 N 0.36 0.16 -0.65 1.90 2.43 -0.63 0.14 114.38 118.09 2jpn h ARG 65 Ca 0.03 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2jpn h ARG 65 Cb 0.93 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 2jpn h ARG 65 CO 0.08 0.11 0.43 0.00 -1.51 0.00 0.00 179.97 179.08 2jpn h ALA 66 N 1.25 1.60 -0.13 2.80 0.00 -1.67 0.12 119.26 123.23 2jpn h ALA 66 Ca 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2jpn h ALA 66 Cb 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jpn h ALA 66 CO -0.21 0.34 -0.02 0.93 0.00 0.00 0.00 179.25 180.29 2jpn h GLU 67 N 0.81 0.25 -0.14 0.00 4.39 -1.16 -1.31 114.58 117.43 2jpn h GLU 67 Ca 0.25 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 2jpn h GLU 67 Cb 0.01 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2jpn h GLU 67 CO -0.06 0.52 -0.32 -0.07 -1.16 0.00 0.00 179.01 177.92 2jpn h LEU 68 N -0.05 0.27 -0.40 1.33 3.38 -0.09 0.01 115.31 119.76 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 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2jpn h LEU 68 CO 0.01 0.58 -0.80 -0.33 0.09 0.00 0.00 178.44 177.99 2jpn h GLU 69 N 0.23 0.15 0.00 1.13 5.08 -0.80 -0.76 114.58 119.62 2jpn h GLU 69 Ca 0.03 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2jpn h GLU 69 Cb 0.68 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2jpn h GLU 69 CO 0.05 0.87 0.00 -0.25 -1.00 0.00 0.00 179.01 178.68 2jpn n ASP 70 N -3.69 0.47 -1.36 1.42 8.00 -0.49 -3.68 116.55 117.21 2jpn n ASP 70 Ca -0.03 0.59 -0.10 0.00 0.71 0.00 0.00 54.79 55.97 2jpn n ASP 70 Cb 0.75 -0.70 0.14 0.00 -0.02 0.00 0.00 41.12 41.29 2jpn n ASP 70 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2jpn n SER 71 N -1.99 3.40 0.20 -2.24 2.88 -0.03 -4.93 113.62 110.92 2jpn n SER 71 Ca 0.04 -3.82 0.08 0.00 -1.33 0.00 0.00 58.87 53.84 2jpn n SER 71 Cb 0.27 -0.54 0.44 0.00 -0.75 0.00 0.00 64.21 63.62 2jpn n SER 71 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2jpn h ASP 72 N 1.44 0.00 -0.97 -3.46 3.58 -1.34 -3.45 116.42 112.22 2jpn h ASP 72 Ca 0.24 0.00 -0.82 0.00 0.42 0.00 0.00 57.03 56.87 2jpn h ASP 72 Cb 1.38 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.45 2jpn h ASP 72 CO 0.49 0.00 0.46 0.47 -2.88 0.00 0.00 179.24 177.78 2jpn n ASP 73 N -2.23 0.77 -4.61 2.28 9.92 -1.26 -4.86 116.55 116.55 2jpn n ASP 73 Ca -0.01 1.14 -0.39 0.00 -0.53 0.00 0.00 54.79 55.00 2jpn n ASP 73 Cb 0.36 -0.86 -0.09 0.00 -0.64 0.00 0.00 41.12 39.89 2jpn n ASP 73 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2jpn s GLU 74 N 1.92 4.03 0.00 -1.24 2.02 -1.18 -4.39 118.70 119.86 2jpn s GLU 74 Ca 0.97 0.04 0.00 0.00 0.02 0.00 0.00 54.97 56.00 2jpn s GLU 74 Cb -1.37 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 29.21 2jpn s GLU 74 CO 0.71 -0.25 0.00 0.28 0.02 0.00 0.00 175.26 176.03 2jpn n VAL 75 N 5.02 0.00 0.00 2.63 0.31 -1.26 -1.75 118.33 123.28 2jpn n VAL 75 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2jpn n VAL 75 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 2jpn n VAL 75 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2jpn n GLU 76 N 0.00 0.89 0.14 5.55 0.28 -1.26 -4.97 120.64 121.27 2jpn n GLU 76 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2jpn n GLU 76 Cb 0.00 -0.36 0.00 0.00 1.43 0.00 0.00 31.44 32.51 2jpn n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2jpn n GLU 77 N -0.40 0.00 -0.26 3.44 2.13 -0.75 -5.05 120.64 119.75 2jpn n GLU 77 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jpn n GLU 77 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2jpn n GLU 77 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2jpn n SER 78 N -3.09 0.00 0.00 4.31 3.41 -0.86 -3.08 113.62 114.31 2jpn n SER 78 Ca 0.00 -0.75 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 2jpn n SER 78 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2jpn n SER 78 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21