#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jpb s LEU 2 N 0.00 4.13 0.67 1.34 1.02 -1.26 -5.06 118.68 119.52 1jpb s LEU 2 Ca 0.00 1.80 -0.09 0.00 0.02 0.00 0.00 54.13 55.86 1jpb s LEU 2 Cb 0.00 -4.28 0.02 0.00 0.02 0.00 0.00 46.19 41.95 1jpb s LEU 2 CO 0.00 -0.27 1.01 -0.94 0.02 0.00 0.00 176.35 176.18 1jpb s SER 3 N -1.87 5.35 0.28 2.29 1.04 -1.26 -4.88 113.70 114.65 1jpb s SER 3 Ca 0.57 0.85 -0.03 0.00 0.48 0.00 0.00 55.95 57.82 1jpb s SER 3 Cb -0.15 -1.69 0.38 0.00 0.10 0.00 0.00 66.02 64.67 1jpb s SER 3 CO 0.19 -1.31 1.94 -0.08 0.98 0.00 0.00 173.24 174.97 1jpb h GLU 4 N -0.49 1.17 -0.77 4.02 4.57 -1.99 -0.97 114.58 120.13 1jpb h GLU 4 Ca -0.45 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 57.60 1jpb h GLU 4 Cb 1.27 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 29.56 1jpb h GLU 4 CO 0.62 0.78 0.27 0.78 -1.18 0.00 0.00 179.01 180.28 1jpb h GLY 5 N 1.21 1.27 0.94 1.92 0.00 -1.99 -0.91 103.07 105.50 1jpb h GLY 5 Ca 0.35 -0.73 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1jpb h GLY 5 CO -0.09 0.68 0.04 0.83 0.00 0.00 0.00 176.54 178.00 1jpb h GLU 6 N 1.14 0.68 -0.50 4.80 5.08 -1.72 -2.41 114.58 121.65 1jpb h GLU 6 Ca 0.25 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1jpb h GLU 6 Cb 0.27 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1jpb h GLU 6 CO -0.01 0.74 0.27 -1.49 -1.00 0.00 0.00 179.01 177.52 1jpb h TRP 7 N 0.53 0.67 -0.68 4.33 -0.00 -0.94 -1.62 115.95 118.24 1jpb h TRP 7 Ca 0.12 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 58.96 1jpb h TRP 7 Cb 0.41 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.16 29.32 1jpb h TRP 7 CO 0.03 0.48 0.26 0.37 -0.00 0.00 0.00 178.44 179.57 1jpb h GLN 8 N 0.70 1.02 -0.50 0.49 4.15 -0.83 -0.05 115.11 120.09 1jpb h GLN 8 Ca 0.18 -0.19 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 1jpb h GLN 8 Cb 0.02 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 1jpb h GLN 8 CO -0.03 0.86 -0.10 -0.07 -1.93 0.00 0.00 178.83 177.55 1jpb h LEU 9 N 0.97 0.93 -0.02 -2.39 3.38 -0.88 -0.54 115.31 116.76 1jpb h LEU 9 Ca 0.22 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jpb h LEU 9 Cb 0.23 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1jpb h LEU 9 CO -0.02 1.05 0.01 0.58 0.09 0.00 0.00 178.44 180.14 1jpb h VAL 10 N 0.84 1.18 0.00 1.22 2.07 -0.94 -2.82 116.25 117.79 1jpb h VAL 10 Ca 0.13 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 1jpb h VAL 10 Cb 0.64 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1jpb h VAL 10 CO 0.04 0.14 -0.26 -0.07 0.02 0.00 0.00 177.57 177.45 1jpb h LEU 11 N -0.18 0.00 -0.15 2.57 3.38 -0.95 -1.40 115.31 118.58 1jpb h LEU 11 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1jpb h LEU 11 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1jpb h LEU 11 CO -0.00 0.26 -0.10 -0.74 0.09 0.00 0.00 178.44 177.95 1jpb h HIS 12 N 0.00 0.39 -0.00 1.13 2.76 -1.03 -1.67 115.15 116.72 1jpb h HIS 12 Ca -0.00 -0.10 -0.14 0.00 -2.20 0.00 0.00 60.37 57.92 1jpb h HIS 12 Cb 0.87 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.72 1jpb h HIS 12 CO 0.00 0.68 -0.66 -0.24 -1.30 0.00 0.00 177.93 176.41 1jpb h VAL 13 N -0.01 1.47 0.00 5.26 3.04 -1.45 -3.09 116.25 121.46 1jpb h VAL 13 Ca 0.03 -2.25 -0.09 0.00 -1.01 0.00 0.00 66.70 63.39 1jpb h VAL 13 Cb 0.59 2.21 -0.01 0.00 -2.01 0.00 0.00 31.29 32.07 1jpb h VAL 13 CO 0.03 0.64 -0.41 -0.25 -1.01 0.00 0.00 177.57 176.57 1jpb h TRP 14 N 0.01 0.00 -0.10 3.17 2.91 -1.13 -2.08 115.95 118.73 1jpb h TRP 14 Ca -0.01 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 1jpb h TRP 14 Cb 1.17 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.81 1jpb h TRP 14 CO 0.00 0.41 -0.11 0.00 -1.03 0.00 0.00 178.44 177.71 1jpb h ALA 15 N 1.59 1.64 -0.14 2.65 0.00 -1.22 -1.44 119.26 122.34 1jpb h ALA 15 Ca -0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1jpb h ALA 15 Cb 0.73 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1jpb h ALA 15 CO 0.05 0.27 -0.54 0.87 0.00 0.00 0.00 179.25 179.90 1jpb h LYS 16 N 0.14 0.40 -0.44 0.00 1.79 -1.44 -3.15 116.57 113.87 1jpb h LYS 16 Ca 0.03 -0.25 -0.11 0.00 -2.18 0.00 0.00 60.65 58.14 1jpb h LYS 16 Cb 0.29 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1jpb h LYS 16 CO 0.02 0.84 -0.17 0.28 -1.08 0.00 0.00 179.45 179.33 1jpb h VAL 17 N 0.31 1.27 0.00 0.50 2.07 -1.02 -3.02 116.25 116.36 1jpb h VAL 17 Ca 0.01 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1jpb h VAL 17 Cb 1.04 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1jpb h VAL 17 CO 0.09 0.45 0.00 -0.62 0.02 0.00 0.00 177.57 177.51 1jpb n GLU 18 N -4.21 0.16 0.15 1.57 1.02 -0.76 -1.04 120.64 117.52 1jpb n GLU 18 Ca -0.01 0.59 0.13 0.00 -0.02 0.00 0.00 57.16 57.85 1jpb n GLU 18 Cb 0.42 -1.95 0.47 0.00 -0.02 0.00 0.00 31.44 30.36 1jpb n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jpb h ALA 19 N 2.07 1.00 -0.32 0.62 0.00 -1.58 -3.34 119.26 117.71 1jpb h ALA 19 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1jpb h ALA 19 Cb 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.70 1jpb h ALA 19 CO 0.00 0.00 -0.57 -3.47 0.00 0.00 0.00 179.25 175.21 1jpb n ASP 20 N -2.41 -2.05 -0.11 0.00 2.03 -0.21 -5.02 116.55 108.78 1jpb n ASP 20 Ca 0.03 -3.46 -0.05 0.00 0.52 0.00 0.00 54.79 51.83 1jpb n ASP 20 Cb 0.32 1.50 0.02 0.00 -0.72 0.00 0.00 41.12 42.24 1jpb n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1jpb h VAL 21 N 2.74 0.77 -0.50 5.18 2.07 -1.59 -2.28 116.25 122.63 1jpb h VAL 21 Ca -0.09 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1jpb h VAL 21 Cb 1.05 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1jpb h VAL 21 CO 0.25 0.03 0.32 0.00 0.02 0.00 0.00 177.57 178.18 1jpb h ALA 22 N 1.30 0.64 -0.79 1.67 0.00 -1.90 0.54 119.26 120.71 1jpb h ALA 22 Ca 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1jpb h ALA 22 Cb 0.23 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1jpb h ALA 22 CO -0.26 0.05 0.39 0.78 0.00 0.00 0.00 179.25 180.20 1jpb h GLY 23 N 0.65 1.22 1.13 0.00 0.00 -1.89 -2.20 103.07 101.97 1jpb h GLY 23 Ca 0.19 -0.59 -0.15 0.00 0.00 0.00 0.00 47.33 46.78 1jpb h GLY 23 CO -0.06 0.57 -0.31 0.45 0.00 0.00 0.00 176.54 177.19 1jpb h HIS 24 N 1.12 1.14 -0.68 5.60 3.86 -1.14 -2.95 115.15 122.09 1jpb h HIS 24 Ca 0.27 -0.31 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1jpb h HIS 24 Cb 0.10 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.27 1jpb h HIS 24 CO 0.01 1.14 0.41 0.78 0.86 0.00 0.00 177.93 181.13 1jpb h GLY 25 N 0.82 1.00 0.91 2.45 0.00 -0.48 -1.55 103.07 106.22 1jpb h GLY 25 Ca 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1jpb h GLY 25 CO 0.08 0.22 -0.18 1.46 0.00 0.00 0.00 176.54 178.12 1jpb h GLN 26 N 0.77 -0.50 -0.68 4.80 4.20 -1.38 -1.74 115.11 120.59 1jpb h GLN 26 Ca 0.29 0.03 0.08 0.00 0.06 0.00 0.00 58.65 59.12 1jpb h GLN 26 Cb 0.11 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 27.93 1jpb h GLN 26 CO -0.14 -0.28 0.34 -0.44 -0.67 0.00 0.00 178.83 177.64 1jpb h ASP 27 N -0.61 0.46 0.05 1.46 3.32 -1.37 0.10 116.42 119.83 1jpb h ASP 27 Ca -0.05 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jpb h ASP 27 Cb 0.45 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1jpb h ASP 27 CO 0.09 0.28 -0.03 0.40 -1.72 0.00 0.00 179.24 178.26 1jpb h ILE 28 N 0.60 1.07 -0.42 0.35 2.04 -1.23 -0.51 117.51 119.41 1jpb h ILE 28 Ca 0.32 -0.41 -0.10 0.00 1.00 0.00 0.00 64.86 65.67 1jpb h ILE 28 Cb 0.31 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1jpb h ILE 28 CO -0.24 0.10 -0.15 -0.07 0.00 0.00 0.00 178.15 177.79 1jpb h LEU 29 N -0.26 0.77 -0.55 1.44 3.38 -1.07 -0.67 115.31 118.37 1jpb h LEU 29 Ca -0.01 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 1jpb h LEU 29 Cb 0.23 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1jpb h LEU 29 CO 0.01 0.93 -0.06 0.40 0.09 0.00 0.00 178.44 179.81 1jpb h ILE 30 N 0.69 1.27 -0.47 1.22 2.04 -0.96 0.41 117.51 121.72 1jpb h ILE 30 Ca 0.11 -1.21 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 1jpb h ILE 30 Cb 0.64 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1jpb h ILE 30 CO 0.04 0.43 0.18 -0.09 0.00 0.00 0.00 178.15 178.71 1jpb h ARG 31 N 0.89 0.70 -0.06 2.37 9.65 -0.85 -0.90 114.38 126.19 1jpb h ARG 31 Ca 0.15 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1jpb h ARG 31 Cb 0.62 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1jpb h ARG 31 CO 0.04 0.64 0.04 1.25 2.80 0.00 0.00 179.97 184.74 1jpb h LEU 32 N 0.61 0.07 -1.08 3.80 5.85 -0.85 -0.89 115.31 122.83 1jpb h LEU 32 Ca 0.15 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1jpb h LEU 32 Cb 0.21 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1jpb h LEU 32 CO -0.01 0.06 0.10 -0.26 -0.34 0.00 0.00 178.44 177.99 1jpb h PHE 33 N 0.07 0.78 0.12 1.25 0.04 -0.73 -0.54 116.94 117.93 1jpb h PHE 33 Ca 0.02 -0.07 -0.29 0.00 2.80 0.00 0.00 57.97 60.42 1jpb h PHE 33 Cb 0.00 -0.23 0.03 0.00 2.20 0.00 0.00 35.95 37.95 1jpb h PHE 33 CO -0.07 0.67 -1.24 0.87 -0.60 0.00 0.00 178.31 177.94 1jpb h LYS 34 N 0.73 0.57 0.00 1.51 1.79 -1.01 -3.02 116.57 117.14 1jpb h LYS 34 Ca 0.16 -0.77 -0.13 0.00 -2.18 0.00 0.00 60.65 57.72 1jpb h LYS 34 Cb 0.30 0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 1jpb h LYS 34 CO 0.00 1.35 -0.64 0.77 -1.08 0.00 0.00 179.45 179.85 1jpb h SER 35 N 0.25 0.00 -2.31 0.86 0.02 -1.11 -3.39 113.55 107.86 1jpb h SER 35 Ca -0.18 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.19 1jpb h SER 35 Cb 1.91 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 64.08 1jpb h SER 35 CO 0.23 0.64 -0.97 1.41 -1.14 0.00 0.00 176.83 177.00 1jpb n HIS 36 N -3.43 -1.02 -0.22 3.45 8.25 -0.22 -5.01 115.22 117.02 1jpb n HIS 36 Ca 0.00 -3.25 0.31 0.00 -0.26 0.00 0.00 57.72 54.53 1jpb n HIS 36 Cb 0.72 0.29 0.73 0.00 1.12 0.00 0.00 29.99 32.85 1jpb n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1jpb h PRO 37 N 5.58 0.00 0.00 -0.41 0.11 -1.73 -0.17 132.00 135.38 1jpb h PRO 37 Ca 0.26 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.35 1jpb h PRO 37 Cb 0.92 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1jpb h PRO 37 CO 0.36 0.00 -0.09 1.05 -0.21 0.00 0.00 178.00 179.11 1jpb h GLU 38 N 0.00 0.00 -0.05 1.05 9.09 -1.93 -2.17 114.58 120.57 1jpb h GLU 38 Ca 0.47 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.72 1jpb h GLU 38 Cb 1.98 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 29.07 1jpb h GLU 38 CO -0.00 0.09 -0.70 1.79 0.05 0.00 0.00 179.01 180.23 1jpb h THR 39 N 0.00 1.42 -0.44 -1.06 1.35 -1.35 -3.01 112.91 109.82 1jpb h THR 39 Ca -0.00 -2.20 -0.07 0.00 -0.55 0.00 0.00 66.41 63.59 1jpb h THR 39 Cb 0.26 2.16 -0.02 0.00 -1.73 0.00 0.00 68.15 68.82 1jpb h THR 39 CO 0.01 0.65 -0.02 0.25 -0.25 0.00 0.00 175.52 176.16 1jpb h LEU 40 N 0.17 0.71 -2.16 3.87 5.85 -1.52 -2.21 115.31 120.03 1jpb h LEU 40 Ca -0.02 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1jpb h LEU 40 Cb 1.26 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1jpb h LEU 40 CO 0.11 0.79 0.00 -0.08 -0.34 0.00 0.00 178.44 178.92 1jpb h GLU 41 N 0.69 0.00 0.00 1.25 4.57 -1.41 -0.86 114.58 118.82 1jpb h GLU 41 Ca 0.13 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1jpb h GLU 41 Cb 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1jpb h GLU 41 CO 0.02 0.00 0.00 0.87 -1.18 0.00 0.00 179.01 178.72 1jpb h LYS 42 N 0.00 0.00 -4.34 1.92 1.79 -1.44 -3.42 116.57 111.08 1jpb h LYS 42 Ca 0.00 0.00 -0.73 0.00 -2.18 0.00 0.00 60.65 57.74 1jpb h LYS 42 Cb 0.09 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 30.48 1jpb h LYS 42 CO 0.00 0.00 -0.39 -0.06 -1.08 0.00 0.00 179.45 177.92 1jpb s PHE 43 N -3.22 3.32 0.42 -1.35 0.08 -0.33 -4.93 117.98 111.97 1jpb s PHE 43 Ca 0.08 -1.39 0.08 0.00 0.12 0.00 0.00 56.93 55.82 1jpb s PHE 43 Cb 0.09 -3.21 0.89 0.00 -0.57 0.00 0.00 43.02 40.22 1jpb s PHE 43 CO 0.60 -0.88 2.07 -0.44 -0.10 0.00 0.00 175.22 176.47 1jpb h ASP 44 N 8.57 0.43 0.24 1.36 3.32 -1.83 -0.92 116.42 127.59 1jpb h ASP 44 Ca -0.25 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 1jpb h ASP 44 Cb 1.09 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1jpb h ASP 44 CO 0.84 0.31 -0.21 0.03 -1.72 0.00 0.00 179.24 178.50 1jpb h ARG 45 N 0.51 0.00 -0.01 3.56 3.08 -1.94 -3.28 114.38 116.31 1jpb h ARG 45 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1jpb h ARG 45 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1jpb h ARG 45 CO -0.03 0.21 -0.04 1.19 -1.07 0.00 0.00 179.97 180.23 1jpb n PHE 46 N -4.18 0.00 0.09 3.04 3.72 -0.64 -4.69 117.46 114.79 1jpb n PHE 46 Ca -0.02 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.57 1jpb n PHE 46 Cb 0.27 0.00 0.75 0.00 -0.94 0.00 0.00 39.48 39.56 1jpb n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1jpb h LYS 47 N 1.06 0.00 0.00 -1.08 1.57 -1.27 -1.37 116.57 115.48 1jpb h LYS 47 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1jpb h LYS 47 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1jpb h LYS 47 CO 0.00 0.00 -0.05 1.12 -0.57 0.00 0.00 179.45 179.95 1jpb h HIS 48 N 0.00 0.00 -2.83 -1.35 2.07 -1.84 -3.43 115.15 107.77 1jpb h HIS 48 Ca 0.18 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 57.14 1jpb h HIS 48 Cb 0.88 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.83 1jpb h HIS 48 CO 0.00 0.05 1.07 -0.51 -3.07 0.00 0.00 177.93 175.47 1jpb s LEU 49 N -6.30 3.97 0.00 6.12 1.43 -0.52 -4.87 118.68 118.52 1jpb s LEU 49 Ca 0.02 1.62 0.11 0.00 -1.03 0.00 0.00 54.13 54.85 1jpb s LEU 49 Cb 0.08 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.71 1jpb s LEU 49 CO 0.58 -1.13 0.55 0.29 0.23 0.00 0.00 176.35 176.87 1jpb n LYS 50 N 7.42 2.84 -4.16 1.70 5.02 -1.26 -4.98 118.16 124.74 1jpb n LYS 50 Ca 0.17 -0.30 -0.10 0.00 -2.02 0.00 0.00 58.31 56.06 1jpb n LYS 50 Cb 0.45 -1.05 -0.10 0.00 -0.02 0.00 0.00 35.03 34.31 1jpb n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1jpb s THR 51 N -1.72 0.57 0.28 -0.18 -4.23 -1.26 -5.05 115.64 104.06 1jpb s THR 51 Ca 0.06 -1.91 -0.01 0.00 -1.18 0.00 0.00 61.69 58.65 1jpb s THR 51 Cb 0.08 -1.72 0.14 0.00 1.34 0.00 0.00 72.50 72.35 1jpb s THR 51 CO 0.35 -0.84 1.81 -0.08 -0.54 0.00 0.00 174.62 175.33 1jpb h GLU 52 N 2.97 0.78 -0.61 3.99 4.81 -1.99 -1.70 114.58 122.84 1jpb h GLU 52 Ca -0.35 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 1jpb h GLU 52 Cb 1.17 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1jpb h GLU 52 CO 0.64 0.74 0.30 0.00 -0.73 0.00 0.00 179.01 179.96 1jpb h ALA 53 N 1.34 0.78 -0.57 2.92 0.00 -1.99 -0.11 119.26 121.63 1jpb h ALA 53 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1jpb h ALA 53 Cb 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1jpb h ALA 53 CO 0.01 0.34 0.19 0.93 0.00 0.00 0.00 179.25 180.71 1jpb h GLU 54 N 0.83 0.88 -0.49 0.00 5.08 -1.87 -1.67 114.58 117.34 1jpb h GLU 54 Ca 0.21 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1jpb h GLU 54 Cb 0.11 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1jpb h GLU 54 CO -0.03 0.79 0.28 0.52 -1.00 0.00 0.00 179.01 179.57 1jpb h MET 55 N 0.80 0.68 0.00 2.33 2.86 -0.87 -2.28 114.93 118.45 1jpb h MET 55 Ca 0.19 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1jpb h MET 55 Cb 0.26 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1jpb h MET 55 CO -0.01 0.52 -0.21 0.87 1.06 0.00 0.00 176.91 179.14 1jpb h LYS 56 N 0.65 0.00 -0.00 1.72 1.57 -0.81 -2.71 116.57 116.98 1jpb h LYS 56 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1jpb h LYS 56 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1jpb h LYS 56 CO -0.03 0.21 -0.25 0.00 -0.57 0.00 0.00 179.45 178.80 1jpb n ALA 57 N -2.39 3.04 -2.59 3.86 0.00 -0.65 -4.84 120.51 116.94 1jpb n ALA 57 Ca -0.02 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.66 1jpb n ALA 57 Cb 0.29 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 1jpb n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jpb s SER 58 N -2.65 6.62 0.32 0.00 0.15 -0.91 -4.90 113.70 112.34 1jpb s SER 58 Ca 0.22 0.44 0.10 0.00 0.70 0.00 0.00 55.95 57.41 1jpb s SER 58 Cb 0.19 -2.46 0.55 0.00 -1.71 0.00 0.00 66.02 62.59 1jpb s SER 58 CO 0.55 -0.92 1.74 -0.08 1.20 0.00 0.00 173.24 175.72 1jpb h GLU 59 N 8.67 0.09 -0.77 5.44 4.57 -1.88 -2.37 114.58 128.34 1jpb h GLU 59 Ca -0.23 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 57.85 1jpb h GLU 59 Cb 1.08 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.63 1jpb h GLU 59 CO 1.00 0.51 0.26 0.22 -1.18 0.00 0.00 179.01 179.82 1jpb h ASP 60 N 0.08 1.10 -0.38 1.04 3.58 -1.96 0.06 116.42 119.93 1jpb h ASP 60 Ca 0.00 -0.20 -0.07 0.00 0.42 0.00 0.00 57.03 57.18 1jpb h ASP 60 Cb 0.80 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 1jpb h ASP 60 CO 0.06 1.00 -0.05 0.25 -2.88 0.00 0.00 179.24 177.62 1jpb h LEU 61 N 1.13 0.71 -1.16 2.28 5.85 -1.82 -1.97 115.31 120.33 1jpb h LEU 61 Ca 0.25 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1jpb h LEU 61 Cb 0.28 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1jpb h LEU 61 CO -0.01 0.88 0.52 0.50 -0.34 0.00 0.00 178.44 179.99 1jpb h LYS 62 N 0.52 1.09 -0.34 1.25 3.64 -1.03 -0.20 116.57 121.50 1jpb h LYS 62 Ca 0.10 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1jpb h LYS 62 Cb 0.55 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1jpb h LYS 62 CO 0.03 0.74 0.13 -0.22 -2.27 0.00 0.00 179.45 177.86 1jpb h LYS 63 N 1.12 0.52 -0.38 1.90 3.64 -0.73 -2.40 116.57 120.23 1jpb h LYS 63 Ca 0.30 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.49 1jpb h LYS 63 Cb -0.10 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1jpb h LYS 63 CO -0.06 0.52 -0.12 1.25 -2.27 0.00 0.00 179.45 178.77 1jpb h HIS 64 N 0.41 0.72 -0.81 1.91 2.76 -0.84 -2.22 115.15 117.09 1jpb h HIS 64 Ca 0.11 -0.12 0.06 0.00 -2.20 0.00 0.00 60.37 58.22 1jpb h HIS 64 Cb 0.20 -0.19 -0.05 0.00 1.55 0.00 0.00 27.41 28.92 1jpb h HIS 64 CO -0.00 0.75 0.53 0.78 -1.30 0.00 0.00 177.93 178.69 1jpb h GLY 65 N 0.97 1.13 0.87 5.26 0.00 -0.70 0.73 103.07 111.32 1jpb h GLY 65 Ca 0.11 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1jpb h GLY 65 CO 0.03 0.27 -0.13 -2.08 0.00 0.00 0.00 176.54 174.64 1jpb h VAL 66 N 0.90 1.30 -0.49 4.60 2.07 -0.93 -1.73 116.25 121.97 1jpb h VAL 66 Ca 0.34 -1.21 0.05 0.00 0.82 0.00 0.00 66.70 66.70 1jpb h VAL 66 Cb 0.20 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1jpb h VAL 66 CO -0.12 0.38 0.24 0.74 0.02 0.00 0.00 177.57 178.83 1jpb h THR 67 N 0.28 0.94 0.18 2.57 2.02 -0.71 0.35 112.91 118.54 1jpb h THR 67 Ca 0.06 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1jpb h THR 67 Cb 0.63 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1jpb h THR 67 CO 0.04 0.08 -0.09 0.58 0.37 0.00 0.00 175.52 176.50 1jpb h VAL 68 N 0.46 0.88 0.00 3.16 2.07 -0.83 -2.32 116.25 119.68 1jpb h VAL 68 Ca 0.22 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 1jpb h VAL 68 Cb 0.14 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1jpb h VAL 68 CO -0.16 0.06 -0.27 -0.07 0.02 0.00 0.00 177.57 177.15 1jpb h LEU 69 N -0.38 0.00 -0.31 2.57 3.38 -1.14 -1.22 115.31 118.22 1jpb h LEU 69 Ca -0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 1jpb h LEU 69 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1jpb h LEU 69 CO 0.04 0.27 -0.54 0.71 0.09 0.00 0.00 178.44 179.02 1jpb h THR 70 N 0.00 1.27 -0.31 0.22 1.35 -0.84 0.58 112.91 115.19 1jpb h THR 70 Ca -0.00 -1.72 -0.06 0.00 -0.55 0.00 0.00 66.41 64.08 1jpb h THR 70 Cb 0.57 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 1jpb h THR 70 CO 0.04 0.56 -0.06 0.00 -0.25 0.00 0.00 175.52 175.81 1jpb h ALA 71 N 0.70 0.43 -0.65 6.62 0.00 -1.11 -2.13 119.26 123.11 1jpb h ALA 71 Ca 0.02 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1jpb h ALA 71 Cb 1.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1jpb h ALA 71 CO 0.12 0.24 0.11 1.25 0.00 0.00 0.00 179.25 180.96 1jpb h LEU 72 N 0.37 1.02 -0.36 0.00 5.85 -1.18 -2.35 115.31 118.66 1jpb h LEU 72 Ca 0.08 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1jpb h LEU 72 Cb 0.53 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1jpb h LEU 72 CO 0.03 1.01 0.22 1.23 -0.34 0.00 0.00 178.44 180.59 1jpb h GLY 73 N 1.05 0.50 1.63 3.75 0.00 -0.73 -0.22 103.07 109.04 1jpb h GLY 73 Ca 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1jpb h GLY 73 CO 0.01 0.16 0.19 0.00 0.00 0.00 0.00 176.54 176.90 1jpb h ALA 74 N 1.15 1.66 0.01 3.60 0.00 -1.17 -1.57 119.26 122.93 1jpb h ALA 74 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jpb h ALA 74 Cb -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1jpb h ALA 74 CO -0.05 0.29 -0.00 0.82 0.00 0.00 0.00 179.25 180.31 1jpb h ILE 75 N 0.50 1.40 -0.63 0.00 2.04 -0.84 -3.13 117.51 116.86 1jpb h ILE 75 Ca 0.13 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.78 1jpb h ILE 75 Cb 0.03 2.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1jpb h ILE 75 CO -0.02 0.31 0.40 -0.07 0.00 0.00 0.00 178.15 178.77 1jpb h LEU 76 N -0.53 0.74 -1.65 1.44 3.38 -0.75 -1.36 115.31 116.59 1jpb h LEU 76 Ca -0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1jpb h LEU 76 Cb 0.52 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1jpb h LEU 76 CO 0.00 0.55 -0.04 0.11 0.09 0.00 0.00 178.44 179.16 1jpb h LYS 77 N 0.86 0.00 -0.00 1.13 1.57 -1.34 -1.21 116.57 117.57 1jpb h LYS 77 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1jpb h LYS 77 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1jpb h LYS 77 CO -0.05 0.04 -0.03 1.63 -0.57 0.00 0.00 179.45 180.47 1jpb n LYS 78 N -3.17 0.91 0.00 3.15 4.76 -0.52 -4.96 118.16 118.33 1jpb n LYS 78 Ca -0.00 -0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 1jpb n LYS 78 Cb 0.29 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1jpb n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1jpb n LYS 79 N -0.88 0.00 -0.03 1.97 5.02 -0.46 -0.87 118.16 122.91 1jpb n LYS 79 Ca 0.19 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.51 1jpb n LYS 79 Cb 0.21 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.36 1jpb n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jpb n GLY 80 N 0.00 -0.71 2.24 0.72 0.00 -1.26 -4.23 105.19 101.95 1jpb n GLY 80 Ca 0.00 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1jpb n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jpb n HIS 81 N -0.38 0.54 -1.42 1.61 8.25 -0.05 -4.93 115.22 118.85 1jpb n HIS 81 Ca 0.05 -3.70 -0.06 0.00 -0.26 0.00 0.00 57.72 53.76 1jpb n HIS 81 Cb 0.07 -0.40 0.20 0.00 1.12 0.00 0.00 29.99 30.98 1jpb n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1jpb n HIS 82 N 1.25 1.27 0.03 4.41 1.44 -1.26 -4.79 115.22 117.57 1jpb n HIS 82 Ca 0.23 -1.60 -0.11 0.00 -2.01 0.00 0.00 57.72 54.23 1jpb n HIS 82 Cb 0.51 -0.53 -0.05 0.00 0.12 0.00 0.00 29.99 30.04 1jpb n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1jpb h GLU 83 N 1.04 -0.10 -0.48 -1.40 3.07 -1.95 -2.26 114.58 112.50 1jpb h GLU 83 Ca 0.25 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.10 1jpb h GLU 83 Cb 1.77 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.68 1jpb h GLU 83 CO 0.45 -0.07 0.20 0.00 -1.40 0.00 0.00 179.01 178.19 1jpb h ALA 84 N 0.93 1.46 -0.04 3.43 0.00 -2.02 -2.66 119.26 120.35 1jpb h ALA 84 Ca 0.04 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1jpb h ALA 84 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jpb h ALA 84 CO -0.10 0.42 -0.74 0.93 0.00 0.00 0.00 179.25 179.75 1jpb h GLU 85 N 0.67 0.26 0.00 0.00 3.07 -1.88 -3.32 114.58 113.38 1jpb h GLU 85 Ca 0.17 -0.23 -0.22 0.00 -0.50 0.00 0.00 59.36 58.58 1jpb h GLU 85 Cb 0.12 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1jpb h GLU 85 CO -0.02 0.89 -0.92 -0.07 -1.40 0.00 0.00 179.01 177.49 1jpb h LEU 86 N 0.17 0.44 -0.47 1.33 3.38 -1.15 -3.37 115.31 115.65 1jpb h LEU 86 Ca -0.03 -0.36 0.08 0.00 0.09 0.00 0.00 57.88 57.67 1jpb h LEU 86 Cb 1.31 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.83 1jpb h LEU 86 CO 0.12 1.16 -0.37 0.11 0.09 0.00 0.00 178.44 179.54 1jpb h LYS 87 N 0.19 -0.24 -0.46 1.13 1.57 -1.58 0.19 116.57 117.38 1jpb h LYS 87 Ca -0.07 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1jpb h LYS 87 Cb 1.55 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.90 1jpb h LYS 87 CO 0.15 -0.16 -0.00 -1.35 -0.57 0.00 0.00 179.45 177.52 1jpb h PRO 88 N -0.25 0.75 0.18 3.15 0.11 -1.77 -1.86 132.00 132.30 1jpb h PRO 88 Ca 0.18 -0.19 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1jpb h PRO 88 Cb 0.56 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1jpb h PRO 88 CO -0.60 0.76 -0.09 1.25 -0.21 0.00 0.00 178.00 179.11 1jpb h LEU 89 N 0.70 -0.21 -1.14 2.35 5.85 -1.54 -2.06 115.31 119.27 1jpb h LEU 89 Ca 0.14 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1jpb h LEU 89 Cb 0.43 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1jpb h LEU 89 CO 0.02 0.18 0.59 0.00 -0.34 0.00 0.00 178.44 178.88 1jpb h ALA 90 N 0.08 1.39 0.20 1.25 0.00 -0.64 -0.87 119.26 120.68 1jpb h ALA 90 Ca -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1jpb h ALA 90 Cb 0.46 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jpb h ALA 90 CO 0.04 0.55 -0.10 0.37 0.00 0.00 0.00 179.25 180.11 1jpb h GLN 91 N 1.17 -0.27 -0.37 0.00 5.75 -1.30 -1.61 115.11 118.49 1jpb h GLN 91 Ca 0.33 0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.73 1jpb h GLN 91 Cb -0.09 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1jpb h GLN 91 CO -0.08 -0.13 -0.25 0.66 -2.65 0.00 0.00 178.83 176.38 1jpb h SER 92 N -0.34 0.86 0.98 -0.69 4.64 -1.18 -2.51 113.55 115.31 1jpb h SER 92 Ca -0.03 -0.43 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1jpb h SER 92 Cb 0.26 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1jpb h SER 92 CO 0.05 1.11 -0.07 0.45 -0.87 0.00 0.00 176.83 177.49 1jpb h HIS 93 N 0.61 0.00 0.00 4.77 3.86 -1.14 0.77 115.15 124.02 1jpb h HIS 93 Ca 0.07 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.20 1jpb h HIS 93 Cb 0.82 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 1jpb h HIS 93 CO 0.06 0.07 -0.59 0.00 0.86 0.00 0.00 177.93 178.33 1jpb h ALA 94 N 1.93 0.10 0.13 2.45 0.00 -1.24 0.59 119.26 123.21 1jpb h ALA 94 Ca -0.00 -0.69 -0.34 0.00 0.00 0.00 0.00 54.91 53.89 1jpb h ALA 94 Cb 0.59 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1jpb h ALA 94 CO 0.01 0.39 -1.80 1.79 0.00 0.00 0.00 179.25 179.64 1jpb h THR 95 N -1.00 0.77 0.00 0.00 1.35 -1.53 -3.30 112.91 109.21 1jpb h THR 95 Ca -0.13 -2.37 -0.02 0.00 -0.55 0.00 0.00 66.41 63.34 1jpb h THR 95 Cb 0.83 2.57 -0.00 0.00 -1.73 0.00 0.00 68.15 69.81 1jpb h THR 95 CO -0.08 0.81 -0.29 0.50 -0.25 0.00 0.00 175.52 176.22 1jpb h LYS 96 N -0.07 0.00 0.00 4.72 1.63 -1.35 -3.40 116.57 118.10 1jpb h LYS 96 Ca -0.38 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.31 1jpb h LYS 96 Cb 1.95 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.56 1jpb h LYS 96 CO 0.08 0.21 -0.79 0.45 -3.45 0.00 0.00 179.45 175.94 1jpb h HIS 97 N -1.00 0.00 -5.66 1.91 3.86 -1.09 -3.49 115.15 109.68 1jpb h HIS 97 Ca -0.03 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.95 1jpb h HIS 97 Cb 0.41 0.00 0.10 0.00 1.06 0.00 0.00 27.41 28.98 1jpb h HIS 97 CO -0.03 0.45 -0.63 1.63 0.86 0.00 0.00 177.93 180.22 1jpb n LYS 98 N -3.07 -1.71 -3.60 2.45 5.02 -0.60 -4.98 118.16 111.66 1jpb n LYS 98 Ca -0.02 0.97 -0.40 0.00 -2.02 0.00 0.00 58.31 56.84 1jpb n LYS 98 Cb 0.74 -5.26 -0.11 0.00 -0.02 0.00 0.00 35.03 30.38 1jpb n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jpb s ILE 99 N -3.26 4.49 0.64 -0.18 -1.09 0.20 -5.01 121.20 116.99 1jpb s ILE 99 Ca 0.29 -0.98 -0.18 0.00 -2.23 0.00 0.00 60.65 57.56 1jpb s ILE 99 Cb -0.06 -3.55 -0.01 0.00 -1.58 0.00 0.00 42.46 37.25 1jpb s ILE 99 CO 0.78 -0.29 1.22 -2.16 -1.23 0.00 0.00 174.94 173.26 1jpb s PRO 100 N 1.53 2.68 0.47 2.79 0.04 -1.26 -4.74 135.00 136.49 1jpb s PRO 100 Ca 0.02 1.84 0.20 0.00 0.04 0.00 0.00 61.00 63.10 1jpb s PRO 100 Cb -0.20 -1.89 1.19 0.00 0.04 0.00 0.00 34.50 33.65 1jpb s PRO 100 CO 0.06 -1.44 1.93 0.82 0.04 0.00 0.00 177.00 178.40 1jpb h ILE 101 N 0.49 0.74 -0.62 0.56 1.08 -1.98 -0.12 117.51 117.66 1jpb h ILE 101 Ca -0.50 -0.09 0.04 0.00 -0.39 0.00 0.00 64.86 63.93 1jpb h ILE 101 Cb 1.30 0.46 -0.04 0.00 -3.07 0.00 0.00 36.82 35.47 1jpb h ILE 101 CO 0.53 0.05 0.41 0.50 -0.69 0.00 0.00 178.15 178.95 1jpb h LYS 102 N 0.26 0.67 -0.07 2.37 1.63 -2.00 -0.77 116.57 118.66 1jpb h LYS 102 Ca 0.36 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 60.01 1jpb h LYS 102 Cb 1.03 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.49 1jpb h LYS 102 CO -0.08 0.45 -0.46 1.88 -3.45 0.00 0.00 179.45 177.78 1jpb h TYR 103 N 0.69 0.20 0.00 1.91 -1.99 -1.36 -1.29 116.97 115.14 1jpb h TYR 103 Ca 0.26 -0.06 -0.10 0.00 2.00 0.00 0.00 58.73 60.83 1jpb h TYR 103 Cb 0.15 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.82 1jpb h TYR 103 CO -0.00 0.60 -0.46 -0.07 -0.00 0.00 0.00 178.16 178.23 1jpb h LEU 104 N 0.14 0.00 -0.29 3.88 3.38 -1.15 -0.91 115.31 120.36 1jpb h LEU 104 Ca 0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 1jpb h LEU 104 Cb 0.87 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1jpb h LEU 104 CO 0.07 0.46 -0.48 -0.08 0.09 0.00 0.00 178.44 178.50 1jpb h GLU 105 N 0.00 0.84 -0.27 1.13 4.81 -0.76 -1.72 114.58 118.61 1jpb h GLU 105 Ca -0.00 -0.51 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 1jpb h GLU 105 Cb 0.87 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1jpb h GLU 105 CO 0.06 1.15 0.14 0.74 -0.73 0.00 0.00 179.01 180.37 1jpb h PHE 106 N 0.62 0.38 0.00 0.92 0.04 -0.78 -1.40 116.94 116.71 1jpb h PHE 106 Ca 0.02 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1jpb h PHE 106 Cb 1.09 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 39.11 1jpb h PHE 106 CO 0.07 0.33 -0.29 0.97 -0.60 0.00 0.00 178.31 178.80 1jpb h ILE 107 N 0.31 0.92 -0.56 -0.55 2.10 -1.17 -1.94 117.51 116.63 1jpb h ILE 107 Ca 0.09 -1.10 -0.11 0.00 1.08 0.00 0.00 64.86 64.83 1jpb h ILE 107 Cb 0.09 1.64 -0.02 0.00 -1.09 0.00 0.00 36.82 37.45 1jpb h ILE 107 CO -0.01 0.28 -0.09 0.28 -1.08 0.00 0.00 178.15 177.53 1jpb h SER 108 N 0.00 1.04 -0.68 2.19 0.02 -0.74 -0.02 113.55 115.36 1jpb h SER 108 Ca -0.00 -0.34 -0.04 0.00 -0.84 0.00 0.00 61.79 60.56 1jpb h SER 108 Cb 0.62 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1jpb h SER 108 CO 0.04 1.14 0.26 -0.33 -1.14 0.00 0.00 176.83 176.80 1jpb h GLU 109 N 0.93 1.03 -0.62 3.45 5.08 -0.78 -1.55 114.58 122.12 1jpb h GLU 109 Ca 0.15 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1jpb h GLU 109 Cb 0.66 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1jpb h GLU 109 CO 0.05 0.87 0.15 0.00 -1.00 0.00 0.00 179.01 179.08 1jpb h ALA 110 N 1.12 0.82 -0.25 3.43 0.00 -0.97 -0.58 119.26 122.82 1jpb h ALA 110 Ca 0.23 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jpb h ALA 110 Cb 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1jpb h ALA 110 CO -0.02 0.53 0.14 0.82 0.00 0.00 0.00 179.25 180.72 1jpb h ILE 111 N 0.91 1.11 -0.66 0.00 2.04 -0.74 -1.45 117.51 118.72 1jpb h ILE 111 Ca 0.20 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 1jpb h ILE 111 Cb 0.35 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1jpb h ILE 111 CO 0.00 0.11 0.19 0.40 0.00 0.00 0.00 178.15 178.86 1jpb h ILE 112 N 0.29 1.25 -0.19 -0.67 2.04 -1.08 -1.08 117.51 118.08 1jpb h ILE 112 Ca 0.09 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 1jpb h ILE 112 Cb 0.06 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1jpb h ILE 112 CO -0.01 0.34 0.07 -0.74 0.00 0.00 0.00 178.15 177.80 1jpb h HIS 113 N 0.99 0.29 -0.42 1.37 2.76 -0.89 -1.83 115.15 117.43 1jpb h HIS 113 Ca 0.22 -0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.26 1jpb h HIS 113 Cb 0.30 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 1jpb h HIS 113 CO 0.02 0.36 -0.15 0.28 -1.30 0.00 0.00 177.93 177.15 1jpb h VAL 114 N 0.13 1.26 -0.82 5.26 2.07 -1.08 -1.87 116.25 121.20 1jpb h VAL 114 Ca 0.06 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1jpb h VAL 114 Cb 0.20 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1jpb h VAL 114 CO -0.00 0.41 0.43 -0.07 0.02 0.00 0.00 177.57 178.36 1jpb h LEU 115 N 0.69 1.05 -0.48 2.57 3.38 -1.06 -0.10 115.31 121.36 1jpb h LEU 115 Ca 0.11 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1jpb h LEU 115 Cb 0.63 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1jpb h LEU 115 CO 0.04 0.86 0.09 -0.74 0.09 0.00 0.00 178.44 178.78 1jpb h HIS 116 N 1.15 0.83 -0.38 1.13 2.76 -1.07 0.16 115.15 119.73 1jpb h HIS 116 Ca 0.29 -0.11 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1jpb h HIS 116 Cb 0.07 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 1jpb h HIS 116 CO 0.01 0.77 0.14 0.77 -1.30 0.00 0.00 177.93 178.32 1jpb h SER 117 N 0.66 0.53 0.87 3.26 0.02 -0.87 -3.03 113.55 114.99 1jpb h SER 117 Ca 0.15 -0.18 -0.17 0.00 -0.84 0.00 0.00 61.79 60.75 1jpb h SER 117 Cb 0.37 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1jpb h SER 117 CO 0.01 0.56 -1.22 0.03 -1.14 0.00 0.00 176.83 175.07 1jpb h ARG 118 N 0.46 0.00 -1.55 3.45 3.08 -0.99 -3.41 114.38 115.42 1jpb h ARG 118 Ca 0.12 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.72 1jpb h ARG 118 Cb 0.20 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.85 1jpb h ARG 118 CO -0.01 0.40 -1.08 0.72 -1.07 0.00 0.00 179.97 178.93 1jpb n HIS 119 N -3.01 1.40 -0.09 3.04 8.25 0.54 -4.94 115.22 120.42 1jpb n HIS 119 Ca -0.07 -3.31 0.12 0.00 -0.26 0.00 0.00 57.72 54.20 1jpb n HIS 119 Cb 0.84 -0.37 0.50 0.00 1.12 0.00 0.00 29.99 32.09 1jpb n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1jpb h PRO 120 N 2.95 0.40 0.00 -0.41 0.13 -1.68 -0.39 132.00 132.99 1jpb h PRO 120 Ca 0.04 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 65.07 1jpb h PRO 120 Cb 1.00 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 1jpb h PRO 120 CO 0.58 0.26 -0.36 0.78 -0.23 0.00 0.00 178.00 179.03 1jpb h GLY 121 N 0.41 0.00 -1.12 1.56 0.00 -1.92 -2.73 103.07 99.27 1jpb h GLY 121 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1jpb h GLY 121 CO -0.08 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.68 1jpb n ASP 122 N -3.90 3.24 -2.78 0.19 8.00 -0.71 -4.65 116.55 115.94 1jpb n ASP 122 Ca -0.02 -2.70 -0.13 0.00 0.71 0.00 0.00 54.79 52.66 1jpb n ASP 122 Cb 0.42 -0.40 0.01 0.00 -0.02 0.00 0.00 41.12 41.13 1jpb n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1jpb n PHE 123 N -0.42 1.11 -1.12 1.24 7.35 -0.24 -4.59 117.46 120.80 1jpb n PHE 123 Ca 0.16 -3.08 -0.05 0.00 -0.76 0.00 0.00 57.45 53.72 1jpb n PHE 123 Cb 0.69 -0.37 0.03 0.00 0.35 0.00 0.00 39.48 40.17 1jpb n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1jpb n GLY 124 N -0.01 -1.25 0.27 7.13 0.00 -1.23 -4.61 105.19 105.49 1jpb n GLY 124 Ca 0.15 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.53 1jpb n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jpb h ALA 125 N -1.97 0.99 -0.27 4.61 0.00 -1.98 0.38 119.26 121.01 1jpb h ALA 125 Ca -0.07 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1jpb h ALA 125 Cb 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1jpb h ALA 125 CO 0.05 -0.12 0.11 -0.44 0.00 0.00 0.00 179.25 178.85 1jpb h ASP 126 N 0.53 0.38 -0.51 0.00 3.32 -1.99 0.29 116.42 118.44 1jpb h ASP 126 Ca 0.37 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 1jpb h ASP 126 Cb 0.46 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1jpb h ASP 126 CO -0.32 0.44 0.02 0.00 -1.72 0.00 0.00 179.24 177.66 1jpb h ALA 127 N 0.96 1.00 -0.51 3.45 0.00 -1.79 -1.48 119.26 120.88 1jpb h ALA 127 Ca 0.09 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1jpb h ALA 127 Cb 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1jpb h ALA 127 CO -0.01 0.62 0.16 0.37 0.00 0.00 0.00 179.25 180.40 1jpb h GLN 128 N 0.87 0.80 -0.77 0.00 4.15 -0.66 -0.22 115.11 119.27 1jpb h GLN 128 Ca 0.17 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 1jpb h GLN 128 Cb 0.48 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1jpb h GLN 128 CO 0.02 0.74 0.26 0.78 -1.93 0.00 0.00 178.83 178.70 1jpb h GLY 129 N 0.70 1.26 0.95 2.39 0.00 -0.65 -0.71 103.07 107.01 1jpb h GLY 129 Ca 0.17 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 1jpb h GLY 129 CO -0.01 0.68 -0.02 0.00 0.00 0.00 0.00 176.54 177.20 1jpb h ALA 130 N 1.14 0.53 -0.50 3.60 0.00 -0.99 -1.54 119.26 121.51 1jpb h ALA 130 Ca 0.25 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1jpb h ALA 130 Cb 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1jpb h ALA 130 CO -0.01 0.32 -0.03 1.98 0.00 0.00 0.00 179.25 181.52 1jpb h MET 131 N 0.53 0.85 -0.51 0.00 -1.53 -0.85 -0.63 114.93 112.80 1jpb h MET 131 Ca 0.11 -0.25 -0.00 0.00 -3.44 0.00 0.00 59.70 56.12 1jpb h MET 131 Cb 0.50 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.43 1jpb h MET 131 CO 0.02 0.87 0.30 -0.97 0.14 0.00 0.00 176.91 177.27 1jpb h ASN 132 N 0.79 0.61 -0.57 1.39 -1.24 -0.94 -0.35 115.58 115.27 1jpb h ASN 132 Ca 0.15 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 1jpb h ASN 132 Cb 0.51 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.38 1jpb h ASN 132 CO 0.03 0.49 0.32 0.11 -1.29 0.00 0.00 177.43 177.09 1jpb h LYS 133 N 0.68 0.79 -0.69 6.67 1.57 -0.77 0.37 116.57 125.20 1jpb h LYS 133 Ca 0.18 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1jpb h LYS 133 Cb -0.00 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1jpb h LYS 133 CO -0.03 0.60 0.32 0.00 -0.57 0.00 0.00 179.45 179.77 1jpb h ALA 134 N 1.15 0.89 -0.03 3.86 0.00 -0.71 -0.59 119.26 123.82 1jpb h ALA 134 Ca 0.20 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1jpb h ALA 134 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1jpb h ALA 134 CO -0.03 0.46 -0.60 -0.07 0.00 0.00 0.00 179.25 179.01 1jpb h LEU 135 N 0.96 0.13 -0.58 0.00 3.38 -0.81 -1.74 115.31 116.64 1jpb h LEU 135 Ca 0.23 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 1jpb h LEU 135 Cb 0.14 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1jpb h LEU 135 CO -0.03 0.70 -0.24 -0.33 0.09 0.00 0.00 178.44 178.64 1jpb h GLU 136 N 0.09 0.88 -0.47 1.13 5.08 -0.57 -1.64 114.58 119.08 1jpb h GLU 136 Ca -0.01 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1jpb h GLU 136 Cb 1.08 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1jpb h GLU 136 CO 0.09 1.02 0.20 1.25 -1.00 0.00 0.00 179.01 180.57 1jpb h LEU 137 N 0.76 0.64 -0.27 1.33 5.85 -0.88 0.76 115.31 123.50 1jpb h LEU 137 Ca 0.10 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1jpb h LEU 137 Cb 0.79 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1jpb h LEU 137 CO 0.07 0.62 -0.01 0.15 -0.34 0.00 0.00 178.44 178.92 1jpb h PHE 138 N 0.62 -0.04 -0.39 1.25 3.57 -1.07 -1.15 116.94 119.72 1jpb h PHE 138 Ca 0.16 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 1jpb h PHE 138 Cb 0.17 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1jpb h PHE 138 CO -0.00 -0.06 -0.01 0.00 -2.23 0.00 0.00 178.31 176.02 1jpb h ARG 139 N 0.06 0.70 -0.28 1.11 3.08 -1.01 -2.04 114.38 116.01 1jpb h ARG 139 Ca 0.13 -0.23 0.03 0.00 0.07 0.00 0.00 59.98 59.98 1jpb h ARG 139 Cb 0.17 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1jpb h ARG 139 CO -0.23 0.79 0.10 -0.22 -1.07 0.00 0.00 179.97 179.35 1jpb h LYS 140 N 0.52 0.23 -0.44 0.04 3.64 -0.60 0.20 116.57 120.17 1jpb h LYS 140 Ca 0.11 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 1jpb h LYS 140 Cb 0.48 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1jpb h LYS 140 CO 0.02 0.15 -0.13 -0.44 -2.27 0.00 0.00 179.45 176.78 1jpb h ASP 141 N 0.23 0.79 -0.55 4.20 3.32 -1.17 -1.44 116.42 121.81 1jpb h ASP 141 Ca 0.12 -0.25 -0.11 0.00 0.02 0.00 0.00 57.03 56.82 1jpb h ASP 141 Cb 0.08 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1jpb h ASP 141 CO -0.12 0.93 -0.09 0.40 -1.72 0.00 0.00 179.24 178.65 1jpb h ILE 142 N 0.72 1.27 -0.99 0.35 2.04 -1.05 -2.86 117.51 116.98 1jpb h ILE 142 Ca 0.12 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.76 1jpb h ILE 142 Cb 0.62 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 1jpb h ILE 142 CO 0.04 0.44 0.65 0.00 0.00 0.00 0.00 178.15 179.29 1jpb h ALA 143 N 0.93 1.29 -0.86 1.87 0.00 -0.23 0.27 119.26 122.53 1jpb h ALA 143 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jpb h ALA 143 Cb 0.65 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1jpb h ALA 143 CO 0.05 0.60 0.54 0.00 0.00 0.00 0.00 179.25 180.43 1jpb h ALA 144 N 1.38 1.09 -0.33 0.00 0.00 -1.07 0.14 119.26 120.48 1jpb h ALA 144 Ca 0.38 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1jpb h ALA 144 Cb -0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1jpb h ALA 144 CO -0.10 0.53 -0.40 0.87 0.00 0.00 0.00 179.25 180.14 1jpb h LYS 145 N 1.17 0.82 -0.39 0.00 1.79 -1.14 -2.27 116.57 116.55 1jpb h LYS 145 Ca 0.31 -0.44 0.02 0.00 -2.18 0.00 0.00 60.65 58.36 1jpb h LYS 145 Cb -0.08 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.56 1jpb h LYS 145 CO -0.06 1.07 0.24 1.88 -1.08 0.00 0.00 179.45 181.50 1jpb h TYR 146 N 0.67 0.44 -0.61 -1.35 -1.99 -0.28 -1.94 116.97 111.91 1jpb h TYR 146 Ca 0.05 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.78 1jpb h TYR 146 Cb 0.97 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 39.53 1jpb h TYR 146 CO 0.06 0.26 0.31 -0.22 -0.00 0.00 0.00 178.16 178.56 1jpb h LYS 147 N 0.48 0.84 -0.09 4.88 3.64 -0.88 0.31 116.57 125.76 1jpb h LYS 147 Ca 0.15 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1jpb h LYS 147 Cb -0.00 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1jpb h LYS 147 CO -0.07 0.64 -0.05 1.49 -2.27 0.00 0.00 179.45 179.20 1jpb h GLU 148 N 0.85 -0.04 -0.05 1.90 4.81 -0.76 -2.30 114.58 118.99 1jpb h GLU 148 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1jpb h GLU 148 Cb 0.06 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1jpb h GLU 148 CO -0.03 -0.03 0.00 1.28 -0.73 0.00 0.00 179.01 179.50 1jpb n LEU 149 N -5.17 0.77 -0.46 1.64 4.32 -0.93 -4.93 117.00 112.23 1jpb n LEU 149 Ca -0.05 -0.29 -0.04 0.00 -0.02 0.00 0.00 56.01 55.61 1jpb n LEU 149 Cb 0.10 -0.03 -0.01 0.00 -1.62 0.00 0.00 43.42 41.87 1jpb n LEU 149 CO 0.28 0.15 -0.05 0.61 -1.22 0.00 0.00 177.39 177.15 1jpb n GLY 150 N 1.02 0.29 0.80 -0.72 0.00 -0.61 -5.09 105.19 100.88 1jpb n GLY 150 Ca 0.18 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.59 1jpb n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30