#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgn s PRO 2 N 0.00 2.48 0.00 1.61 0.04 -1.26 -4.80 135.00 133.07 1jgn s PRO 2 Ca 0.00 0.65 0.10 0.00 0.04 0.00 0.00 61.00 61.79 1jgn s PRO 2 Cb 0.00 -4.51 0.39 0.00 0.04 0.00 0.00 34.50 30.41 1jgn s PRO 2 CO 0.00 -2.97 1.29 -0.11 0.04 0.00 0.00 177.00 175.25 1jgn n LEU 3 N 13.68 1.09 -1.54 -3.56 0.00 -1.26 -3.77 117.00 121.65 1jgn n LEU 3 Ca 0.26 -0.52 0.04 0.00 0.00 0.00 0.00 56.01 55.79 1jgn n LEU 3 Cb 0.52 -0.12 0.29 0.00 0.00 0.00 0.00 43.42 44.11 1jgn n LEU 3 CO 0.69 0.26 0.73 0.61 0.00 0.00 0.00 177.39 179.68 1jgn n GLY 4 N 0.88 2.65 0.14 -3.96 0.00 -1.26 -4.30 105.19 99.34 1jgn n GLY 4 Ca 0.09 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 1jgn n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jgn h SER 5 N 2.82 0.62 0.31 1.61 0.02 -1.99 -3.48 113.55 113.46 1jgn h SER 5 Ca 0.02 -0.82 -0.02 0.00 -0.84 0.00 0.00 61.79 60.14 1jgn h SER 5 Cb 1.63 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1jgn h SER 5 CO 0.39 1.67 -0.15 -0.65 -1.14 0.00 0.00 176.83 176.95 1jgn h PRO 6 N 0.11 -0.40 0.00 3.45 0.11 -1.91 -3.43 132.00 129.93 1jgn h PRO 6 Ca -0.29 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1jgn h PRO 6 Cb 2.10 0.09 0.00 0.00 0.11 0.00 0.00 31.00 33.30 1jgn h PRO 6 CO 0.20 -0.11 0.00 1.28 -0.21 0.00 0.00 178.00 179.17 1jgn n LEU 7 N -5.06 0.00 0.00 2.35 4.77 -1.26 -4.20 117.00 113.60 1jgn n LEU 7 Ca -0.08 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.83 1jgn n LEU 7 Cb 0.24 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.20 1jgn n LEU 7 CO 0.22 -0.41 -0.35 0.00 -1.33 0.00 0.00 177.39 175.52 1jgn h THR 8 N -0.08 1.03 -0.74 -5.08 1.03 -1.95 -3.07 112.91 104.06 1jgn h THR 8 Ca 0.00 -2.84 0.02 0.00 -0.01 0.00 0.00 66.41 63.58 1jgn h THR 8 Cb 0.00 2.50 -0.04 0.00 -1.07 0.00 0.00 68.15 69.54 1jgn h THR 8 CO 0.00 0.59 0.49 0.00 -0.01 0.00 0.00 175.52 176.59 1jgn h ALA 9 N 1.02 1.51 -0.13 0.00 0.00 -1.95 0.12 119.26 119.84 1jgn h ALA 9 Ca -0.21 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1jgn h ALA 9 Cb 1.93 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1jgn h ALA 9 CO 0.09 0.43 -0.51 1.03 0.00 0.00 0.00 179.25 180.29 1jgn h SER 10 N 0.96 0.38 -0.34 0.00 0.87 -1.90 -2.67 113.55 110.85 1jgn h SER 10 Ca 0.28 -0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 1jgn h SER 10 Cb -0.04 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1jgn h SER 10 CO -0.07 0.82 0.04 0.24 -0.53 0.00 0.00 176.83 177.33 1jgn h MET 11 N 0.27 0.67 -0.12 2.24 2.86 -0.85 -1.26 114.93 118.74 1jgn h MET 11 Ca 0.01 -0.15 0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1jgn h MET 11 Cb 0.99 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.49 1jgn h MET 11 CO 0.08 0.66 -0.28 -0.07 1.06 0.00 0.00 176.91 178.36 1jgn h LEU 12 N 0.64 -0.86 -1.60 1.22 4.07 -0.51 1.12 115.31 119.39 1jgn h LEU 12 Ca 0.14 0.13 -0.04 0.00 0.08 0.00 0.00 57.88 58.18 1jgn h LEU 12 Cb 0.34 0.37 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 1jgn h LEU 12 CO 0.01 -0.33 -0.21 0.00 -1.08 0.00 0.00 178.44 176.83 1jgn h ALA 13 N 0.52 1.32 -0.60 1.53 0.00 -1.46 -2.57 119.26 117.99 1jgn h ALA 13 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1jgn h ALA 13 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jgn h ALA 13 CO -0.32 0.26 0.00 -1.13 0.00 0.00 0.00 179.25 178.06 1jgn n SER 14 N -3.81 4.77 -3.83 0.00 3.41 0.09 -4.89 113.62 109.35 1jgn n SER 14 Ca -0.02 -2.53 -0.21 0.00 -0.26 0.00 0.00 58.87 55.85 1jgn n SER 14 Cb 0.31 -0.58 -0.17 0.00 -0.26 0.00 0.00 64.21 63.52 1jgn n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jgn s ALA 15 N -2.00 0.68 1.15 7.33 0.00 0.36 -4.96 121.76 124.33 1jgn s ALA 15 Ca 0.50 -0.09 -0.13 0.00 0.00 0.00 0.00 51.96 52.24 1jgn s ALA 15 Cb 0.33 -0.57 0.27 0.00 0.00 0.00 0.00 23.12 23.15 1jgn s ALA 15 CO 0.22 -0.23 1.04 -1.25 0.00 0.00 0.00 175.76 175.54 1jgn s PRO 16 N 1.42 -0.78 0.45 0.00 0.04 -1.26 -4.80 135.00 130.06 1jgn s PRO 16 Ca -0.03 0.75 0.14 0.00 0.04 0.00 0.00 61.00 61.90 1jgn s PRO 16 Cb -0.13 -1.58 1.06 0.00 0.04 0.00 0.00 34.50 33.89 1jgn s PRO 16 CO -0.03 -3.60 2.01 -1.00 0.04 0.00 0.00 177.00 174.42 1jgn h PRO 17 N -2.53 0.35 0.00 0.56 0.13 -2.01 0.92 132.00 129.41 1jgn h PRO 17 Ca -0.61 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1jgn h PRO 17 Cb 1.34 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1jgn h PRO 17 CO 0.52 0.23 0.00 1.04 -0.23 0.00 0.00 178.00 179.56 1jgn n GLN 18 N -4.47 0.20 -0.50 0.86 1.13 -1.26 -2.77 117.38 110.57 1jgn n GLN 18 Ca 0.07 0.11 0.04 0.00 -1.94 0.00 0.00 57.00 55.29 1jgn n GLN 18 Cb 0.31 -1.50 0.23 0.00 0.11 0.00 0.00 30.24 29.40 1jgn n GLN 18 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1jgn n GLU 19 N -1.36 3.16 0.12 -1.09 4.07 0.32 -4.53 120.64 121.34 1jgn n GLU 19 Ca 0.08 -1.80 -0.08 0.00 -0.06 0.00 0.00 57.16 55.30 1jgn n GLU 19 Cb 0.19 -1.90 -0.05 0.00 -0.06 0.00 0.00 31.44 29.62 1jgn n GLU 19 CO 0.00 0.00 0.00 -0.56 -0.06 0.00 0.00 177.13 176.51 1jgn h GLN 20 N 2.32 -0.43 0.00 5.31 -0.00 -1.67 -1.99 115.11 118.64 1jgn h GLN 20 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1jgn h GLN 20 Cb 1.30 0.10 0.00 0.00 -0.00 0.00 0.00 27.48 28.88 1jgn h GLN 20 CO 0.26 -0.28 0.18 1.57 -0.00 0.00 0.00 178.83 180.56 1jgn h LYS 21 N -0.44 0.00 0.00 0.06 5.09 -1.77 0.20 116.57 119.71 1jgn h LYS 21 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.72 1jgn h LYS 21 Cb 0.39 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.72 1jgn h LYS 21 CO -0.05 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 178.25 1jgn n GLN 22 N -2.91 0.00 0.00 0.07 -0.06 -0.78 -4.29 117.38 109.40 1jgn n GLN 22 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.98 1jgn n GLN 22 Cb 0.23 -0.65 0.00 0.00 -4.06 0.00 0.00 30.24 25.76 1jgn n GLN 22 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1jgn n MET 23 N -0.47 0.00 0.00 3.69 0.00 -1.00 -4.30 117.12 115.05 1jgn n MET 23 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.72 1jgn n MET 23 Cb 0.00 -0.12 0.11 0.00 0.00 0.00 0.00 33.22 33.21 1jgn n MET 23 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1jgn n LEU 24 N 0.00 0.00 0.00 3.17 -0.00 -1.24 -4.80 117.00 114.13 1jgn n LEU 24 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 1jgn n LEU 24 Cb 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 1jgn n LEU 24 CO 0.00 -0.10 0.00 0.61 -0.00 0.00 0.00 177.39 177.90 1jgn n GLY 25 N -0.84 2.95 0.00 1.47 0.00 0.70 -1.35 105.19 108.12 1jgn n GLY 25 Ca 0.02 0.08 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 1jgn n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jgn h GLU 26 N 0.00 -0.00 0.00 1.61 3.07 -1.83 -3.08 114.58 114.35 1jgn h GLU 26 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1jgn h GLU 26 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1jgn h GLU 26 CO 0.00 -0.00 0.00 -2.13 -1.40 0.00 0.00 179.01 175.48 1jgn n ARG 27 N -2.04 0.00 0.00 2.33 3.00 -0.91 -4.91 116.66 114.14 1jgn n ARG 27 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1jgn n ARG 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1jgn n ARG 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1jgn n LEU 28 N 0.00 0.00 -0.33 6.15 7.99 -0.45 -3.36 117.00 126.99 1jgn n LEU 28 Ca 0.00 0.69 0.13 0.00 -0.01 0.00 0.00 56.01 56.82 1jgn n LEU 28 Cb 0.50 -0.19 0.26 0.00 -0.11 0.00 0.00 43.42 43.87 1jgn n LEU 28 CO 0.00 -0.19 0.74 0.33 -1.51 0.00 0.00 177.39 176.76 1jgn n PHE 29 N -1.15 0.57 -0.25 -1.77 -0.00 -1.24 -1.09 117.46 112.53 1jgn n PHE 29 Ca 0.00 1.15 -0.02 0.00 -0.00 0.00 0.00 57.45 58.58 1jgn n PHE 29 Cb 0.00 -1.19 0.10 0.00 -0.00 0.00 0.00 39.48 38.39 1jgn n PHE 29 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1jgn h PRO 30 N 0.00 0.77 -0.09 -7.13 0.11 -1.85 1.42 132.00 125.24 1jgn h PRO 30 Ca 0.56 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.58 1jgn h PRO 30 Cb 1.11 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1jgn h PRO 30 CO -0.91 0.51 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.20 1jgn h LEU 31 N 0.80 0.26 -0.28 2.35 3.38 -1.11 -2.69 115.31 118.00 1jgn h LEU 31 Ca 0.31 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1jgn h LEU 31 Cb 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1jgn h LEU 31 CO -0.16 0.73 0.00 -0.38 0.09 0.00 0.00 178.44 178.72 1jgn n ILE 32 N -4.63 0.69 -0.28 1.22 5.41 -0.94 -2.44 119.36 118.39 1jgn n ILE 32 Ca -0.07 0.07 -0.06 0.00 1.00 0.00 0.00 62.75 63.69 1jgn n ILE 32 Cb 0.35 -0.89 0.06 0.00 -0.71 0.00 0.00 39.64 38.46 1jgn n ILE 32 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1jgn h GLN 33 N 0.00 1.13 -0.00 0.38 -0.00 0.23 1.41 115.11 118.26 1jgn h GLN 33 Ca 0.00 -0.17 -0.06 0.00 -0.00 0.00 0.00 58.65 58.41 1jgn h GLN 33 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 27.73 1jgn h GLN 33 CO 0.00 0.88 -0.30 0.00 0.00 0.00 0.00 178.83 179.41 1jgn h ALA 34 N 1.19 1.49 -0.76 3.38 0.00 -1.44 -1.63 119.26 121.49 1jgn h ALA 34 Ca 0.27 -0.28 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1jgn h ALA 34 Cb 0.14 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 17.71 1jgn h ALA 34 CO -0.03 0.38 0.33 -1.33 0.00 0.00 0.00 179.25 178.61 1jgn n MET 35 N -4.18 3.19 0.08 0.00 2.81 0.29 -4.61 117.12 114.70 1jgn n MET 35 Ca -0.02 -3.07 0.01 0.00 -1.81 0.00 0.00 57.70 52.80 1jgn n MET 35 Cb 0.35 -2.17 0.32 0.00 -0.71 0.00 0.00 33.22 31.02 1jgn n MET 35 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1jgn h HIS 36 N 2.09 0.34 -1.42 2.03 -0.00 0.28 -3.14 115.15 115.34 1jgn h HIS 36 Ca 0.35 -0.05 0.44 0.00 -0.00 0.00 0.00 60.37 61.11 1jgn h HIS 36 Cb 2.39 -0.09 -0.09 0.00 -0.00 0.00 0.00 27.41 29.62 1jgn h HIS 36 CO 1.32 0.48 0.98 -2.30 -0.00 0.00 0.00 177.93 178.40 1jgn n PRO 37 N -4.22 -0.02 0.00 5.12 -0.02 -1.26 -2.17 135.00 132.43 1jgn n PRO 37 Ca -0.00 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1jgn n PRO 37 Cb 0.31 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1jgn n PRO 37 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1jgn n THR 38 N -3.99 0.00 -2.69 3.45 -1.04 -1.19 -5.00 114.28 103.82 1jgn n THR 38 Ca 0.36 0.03 -0.05 0.00 -2.04 0.00 0.00 64.05 62.35 1jgn n THR 38 Cb 1.51 -0.08 0.09 0.00 -1.82 0.00 0.00 70.33 70.03 1jgn n THR 38 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1jgn n LEU 39 N -0.18 -1.70 -0.06 -4.42 4.77 -0.92 -5.00 117.00 109.48 1jgn n LEU 39 Ca 0.00 -2.37 0.24 0.00 -0.03 0.00 0.00 56.01 53.85 1jgn n LEU 39 Cb 0.00 0.81 0.72 0.00 -2.33 0.00 0.00 43.42 42.62 1jgn n LEU 39 CO 0.00 1.73 1.22 0.00 -1.33 0.00 0.00 177.39 179.01 1jgn h ALA 40 N 2.94 2.58 -0.19 -1.18 0.00 -1.76 -2.77 119.26 118.87 1jgn h ALA 40 Ca -0.23 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.71 1jgn h ALA 40 Cb 1.16 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1jgn h ALA 40 CO 0.01 -0.86 -0.41 0.78 0.00 0.00 0.00 179.25 178.76 1jgn h GLY 41 N 0.00 -0.65 1.39 0.00 0.00 -1.91 -2.39 103.07 99.51 1jgn h GLY 41 Ca 0.32 0.51 -0.28 0.00 0.00 0.00 0.00 47.33 47.88 1jgn h GLY 41 CO -0.00 -0.21 -1.19 1.70 0.00 0.00 0.00 176.54 176.83 1jgn h LYS 42 N -0.44 0.50 -0.06 4.80 3.11 -1.94 -3.34 116.57 119.20 1jgn h LYS 42 Ca 0.09 -0.68 0.04 0.00 -2.81 0.00 0.00 60.65 57.29 1jgn h LYS 42 Cb 0.61 0.23 -0.05 0.00 -1.00 0.00 0.00 32.23 32.01 1jgn h LYS 42 CO -0.43 1.29 -0.27 0.82 -2.81 0.00 0.00 179.45 178.05 1jgn h ILE 43 N 0.22 0.38 -0.68 2.00 2.04 -1.46 -1.23 117.51 118.79 1jgn h ILE 43 Ca -0.16 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.84 1jgn h ILE 43 Cb 1.87 0.38 -0.13 0.00 -0.74 0.00 0.00 36.82 38.20 1jgn h ILE 43 CO 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 178.24 1jgn h THR 44 N -0.38 0.34 -0.35 -0.27 1.03 -1.57 0.58 112.91 112.29 1jgn h THR 44 Ca 0.08 -0.01 0.06 0.00 -0.01 0.00 0.00 66.41 66.53 1jgn h THR 44 Cb 0.49 0.32 -0.05 0.00 -1.07 0.00 0.00 68.15 67.84 1jgn h THR 44 CO -0.28 0.00 0.04 1.23 -0.01 0.00 0.00 175.52 176.51 1jgn h GLY 45 N 0.03 0.38 0.01 2.99 0.00 -1.42 0.36 103.07 105.42 1jgn h GLY 45 Ca 0.34 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.67 1jgn h GLY 45 CO -0.67 -0.05 -0.01 -0.33 0.00 0.00 0.00 176.54 175.48 1jgn h MET 46 N 0.15 -0.02 -0.76 4.80 2.07 0.20 -2.67 114.93 118.69 1jgn h MET 46 Ca 0.17 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.80 1jgn h MET 46 Cb 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 1jgn h MET 46 CO -0.25 -0.01 0.00 1.28 1.07 0.00 0.00 176.91 179.00 1jgn n LEU 47 N -2.33 0.77 0.27 1.22 4.32 -0.69 -3.65 117.00 116.91 1jgn n LEU 47 Ca -0.00 -0.39 0.14 0.00 -0.02 0.00 0.00 56.01 55.74 1jgn n LEU 47 Cb 0.01 -0.38 0.74 0.00 -1.62 0.00 0.00 43.42 42.17 1jgn n LEU 47 CO 0.01 0.19 0.98 0.25 -1.22 0.00 0.00 177.39 177.60 1jgn h LEU 48 N 0.01 0.00 -1.35 2.23 7.12 0.10 -2.53 115.31 120.89 1jgn h LEU 48 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1jgn h LEU 48 Cb 0.38 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1jgn h LEU 48 CO 0.00 0.10 0.00 -0.62 -0.13 0.00 0.00 178.44 177.79 1jgn n GLU 49 N -3.47 0.73 -2.17 1.25 1.02 -1.24 -4.68 120.64 112.08 1jgn n GLU 49 Ca -0.01 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.86 1jgn n GLU 49 Cb 0.25 -1.29 0.07 0.00 -0.02 0.00 0.00 31.44 30.46 1jgn n GLU 49 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1jgn s ILE 50 N -0.56 2.36 0.75 -3.67 2.07 -0.95 -5.06 121.20 116.13 1jgn s ILE 50 Ca 0.00 -0.20 -0.11 0.00 -1.41 0.00 0.00 60.65 58.93 1jgn s ILE 50 Cb 0.00 -3.04 0.04 0.00 0.13 0.00 0.00 42.46 39.59 1jgn s ILE 50 CO 0.00 -0.05 1.09 -1.81 -1.91 0.00 0.00 174.94 172.26 1jgn s ASP 51 N -4.51 4.75 0.02 4.50 1.01 -1.26 -4.96 116.67 116.21 1jgn s ASP 51 Ca 0.60 1.79 0.14 0.00 0.71 0.00 0.00 52.55 55.79 1jgn s ASP 51 Cb -0.11 -2.52 -0.18 0.00 1.01 0.00 0.00 42.92 41.12 1jgn s ASP 51 CO 0.45 -1.87 0.79 0.78 0.21 0.00 0.00 175.17 175.53 1jgn h ASN 52 N -0.94 0.00 0.69 0.27 4.21 -1.97 -2.81 115.58 115.02 1jgn h ASN 52 Ca -0.44 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 56.92 1jgn h ASN 52 Cb 1.23 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.41 1jgn h ASN 52 CO 0.53 0.83 -0.70 -1.28 -1.29 0.00 0.00 177.43 175.51 1jgn h SER 53 N 0.00 0.01 1.06 5.81 0.87 -2.01 -3.04 113.55 116.26 1jgn h SER 53 Ca -0.21 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.16 1jgn h SER 53 Cb 1.82 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.75 1jgn h SER 53 CO 0.07 0.71 -0.83 -0.33 -0.53 0.00 0.00 176.83 175.93 1jgn h GLU 54 N 0.01 0.00 -0.44 2.24 4.39 -1.96 -3.20 114.58 115.62 1jgn h GLU 54 Ca -0.01 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.71 1jgn h GLU 54 Cb 1.25 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.87 1jgn h GLU 54 CO 0.09 0.83 0.26 1.37 -1.16 0.00 0.00 179.01 180.40 1jgn h LEU 55 N 0.00 0.44 -0.00 1.33 8.10 -1.38 -0.34 115.31 123.46 1jgn h LEU 55 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1jgn h LEU 55 Cb 1.58 -0.09 -0.00 0.00 -0.44 0.00 0.00 40.66 41.71 1jgn h LEU 55 CO 0.11 0.31 0.00 0.25 -4.11 0.00 0.00 178.44 175.00 1jgn h LEU 56 N 0.53 0.00 -1.80 0.17 6.46 -1.60 -2.22 115.31 116.86 1jgn h LEU 56 Ca 0.17 -0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.97 1jgn h LEU 56 Cb -0.01 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1jgn h LEU 56 CO -0.07 0.01 0.22 -0.74 -0.62 0.00 0.00 178.44 177.23 1jgn h HIS 57 N -0.00 0.25 0.49 1.25 2.76 -1.47 -2.26 115.15 116.18 1jgn h HIS 57 Ca 0.00 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1jgn h HIS 57 Cb 0.00 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 28.88 1jgn h HIS 57 CO -0.08 0.15 -0.24 0.52 -1.30 0.00 0.00 177.93 176.98 1jgn h MET 58 N 0.26 -0.64 0.00 5.26 2.86 -0.45 0.51 114.93 122.74 1jgn h MET 58 Ca 0.14 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1jgn h MET 58 Cb 0.22 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1jgn h MET 58 CO -0.03 -0.36 0.00 1.47 1.06 0.00 0.00 176.91 179.05 1jgn n LEU 59 N -5.32 0.00 -0.00 1.22 -0.00 -1.05 -0.87 117.00 110.97 1jgn n LEU 59 Ca -0.11 0.31 0.08 0.00 -0.00 0.00 0.00 56.01 56.28 1jgn n LEU 59 Cb 0.30 -0.31 -0.10 0.00 -0.00 0.00 0.00 43.42 43.31 1jgn n LEU 59 CO 0.34 -0.22 -0.30 1.21 -0.00 0.00 0.00 177.39 178.43 1jgn n GLU 60 N -1.31 1.28 -3.89 1.47 4.07 -0.70 -4.79 120.64 116.76 1jgn n GLU 60 Ca 0.04 -0.06 -0.30 0.00 -0.06 0.00 0.00 57.16 56.78 1jgn n GLU 60 Cb 0.08 -1.30 -0.14 0.00 -0.06 0.00 0.00 31.44 30.02 1jgn n GLU 60 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1jgn s SER 61 N -3.04 4.20 0.41 4.31 0.15 0.17 -4.95 113.70 114.95 1jgn s SER 61 Ca 0.01 -2.79 0.12 0.00 0.70 0.00 0.00 55.95 53.99 1jgn s SER 61 Cb 0.11 -1.47 0.88 0.00 -1.71 0.00 0.00 66.02 63.83 1jgn s SER 61 CO 0.66 -0.26 1.96 1.55 1.20 0.00 0.00 173.24 178.34 1jgn h PRO 62 N 6.72 0.15 0.08 5.44 0.13 -1.87 0.16 132.00 142.81 1jgn h PRO 62 Ca -0.06 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.89 1jgn h PRO 62 Cb 0.92 -0.02 0.02 0.00 0.13 0.00 0.00 31.00 32.04 1jgn h PRO 62 CO 0.62 0.29 -0.61 1.05 -0.23 0.00 0.00 178.00 179.11 1jgn h GLU 63 N 0.14 0.28 0.24 0.86 -0.00 -1.92 -3.04 114.58 111.13 1jgn h GLU 63 Ca 0.03 -0.40 -0.01 0.00 -0.00 0.00 0.00 59.36 58.98 1jgn h GLU 63 Cb 0.33 0.14 0.00 0.00 -0.00 0.00 0.00 28.75 29.22 1jgn h GLU 63 CO 0.02 1.15 -0.11 0.77 -0.00 0.00 0.00 179.01 180.84 1jgn h SER 64 N -0.40 -0.27 0.75 3.06 0.02 -1.90 -3.05 113.55 111.76 1jgn h SER 64 Ca -0.10 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.60 1jgn h SER 64 Cb 1.43 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 64.03 1jgn h SER 64 CO 0.12 0.24 -0.47 0.25 -1.14 0.00 0.00 176.83 175.83 1jgn h LEU 65 N -0.95 -1.18 -1.46 5.07 7.12 -0.87 -1.68 115.31 121.35 1jgn h LEU 65 Ca -0.03 0.07 0.21 0.00 0.13 0.00 0.00 57.88 58.25 1jgn h LEU 65 Cb 0.47 0.34 -0.07 0.00 -0.53 0.00 0.00 40.66 40.88 1jgn h LEU 65 CO 0.05 -0.71 0.61 -0.09 -0.13 0.00 0.00 178.44 178.17 1jgn h ARG 66 N -1.14 0.42 -0.51 1.25 1.12 -1.66 0.48 114.38 114.34 1jgn h ARG 66 Ca -0.10 -0.03 -0.08 0.00 -1.11 0.00 0.00 59.98 58.66 1jgn h ARG 66 Cb 0.91 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.76 1jgn h ARG 66 CO 0.10 0.28 -0.00 0.77 -3.11 0.00 0.00 179.97 178.00 1jgn h SER 67 N 0.44 0.84 0.35 -3.80 0.02 -1.36 0.32 113.55 110.36 1jgn h SER 67 Ca 0.49 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1jgn h SER 67 Cb 1.17 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1jgn h SER 67 CO -0.20 0.90 -0.17 0.50 -1.14 0.00 0.00 176.83 176.72 1jgn h LYS 68 N 0.80 -0.46 0.00 3.45 3.64 0.83 -2.84 116.57 122.00 1jgn h LYS 68 Ca 0.15 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1jgn h LYS 68 Cb 0.49 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1jgn h LYS 68 CO 0.02 -0.15 0.00 0.28 -2.27 0.00 0.00 179.45 177.34 1jgn h VAL 69 N -0.79 0.00 -0.15 2.00 2.07 -1.04 -2.46 116.25 115.88 1jgn h VAL 69 Ca -0.05 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1jgn h VAL 69 Cb 0.52 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1jgn h VAL 69 CO 0.08 0.00 0.01 -0.78 0.02 0.00 0.00 177.57 176.90 1jgn h ASP 70 N 0.00 -0.03 0.89 0.57 3.58 -0.10 0.21 116.42 121.54 1jgn h ASP 70 Ca 0.00 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 1jgn h ASP 70 Cb 0.32 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.42 1jgn h ASP 70 CO 0.00 0.01 -0.00 -0.08 -2.88 0.00 0.00 179.24 176.28 1jgn h GLU 71 N 0.07 0.00 -0.15 0.28 4.57 -1.41 -2.90 114.58 115.04 1jgn h GLU 71 Ca 0.07 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1jgn h GLU 71 Cb 0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1jgn h GLU 71 CO -0.10 0.00 0.01 0.00 -1.18 0.00 0.00 179.01 177.74 1jgn h ALA 72 N 2.00 0.20 -0.32 2.92 0.00 -0.44 -1.46 119.26 122.15 1jgn h ALA 72 Ca -0.00 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1jgn h ALA 72 Cb 0.45 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1jgn h ALA 72 CO 0.00 -0.12 0.23 -0.39 0.00 0.00 0.00 179.25 178.96 1jgn h VAL 73 N 0.02 0.87 -0.10 0.00 -1.51 -0.93 0.25 116.25 114.84 1jgn h VAL 73 Ca 0.04 -0.02 -0.10 0.00 -1.23 0.00 0.00 66.70 65.40 1jgn h VAL 73 Cb 0.33 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 30.28 1jgn h VAL 73 CO 0.00 0.01 -0.38 0.00 -1.23 0.00 0.00 177.57 175.98 1jgn h ALA 74 N 1.84 1.17 -0.09 5.19 0.00 -1.34 -2.35 119.26 123.69 1jgn h ALA 74 Ca 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1jgn h ALA 74 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1jgn h ALA 74 CO -0.01 0.56 0.02 -0.39 0.00 0.00 0.00 179.25 179.42 1jgn h VAL 75 N 0.19 1.05 0.03 0.00 -1.51 0.50 -0.53 116.25 115.98 1jgn h VAL 75 Ca 0.02 -0.18 -0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1jgn h VAL 75 Cb 0.75 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 1jgn h VAL 75 CO 0.06 0.06 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.37 1jgn h LEU 76 N 0.12 -0.04 -1.09 4.19 3.38 -1.33 0.54 115.31 121.08 1jgn h LEU 76 Ca 0.03 -0.37 0.19 0.00 0.09 0.00 0.00 57.88 57.82 1jgn h LEU 76 Cb 0.06 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.72 1jgn h LEU 76 CO -0.00 0.35 0.61 1.56 0.09 0.00 0.00 178.44 181.06 1jgn h GLN 77 N -0.44 0.70 0.00 1.13 1.08 -1.12 0.40 115.11 116.87 1jgn h GLN 77 Ca -0.00 -0.04 -0.12 0.00 -1.45 0.00 0.00 58.65 57.04 1jgn h GLN 77 Cb 0.40 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 1jgn h GLN 77 CO 0.01 0.47 -0.67 0.00 -0.95 0.00 0.00 178.83 177.68 1jgn h ALA 78 N 1.63 0.66 0.00 3.87 0.00 -0.99 -3.17 119.26 121.26 1jgn h ALA 78 Ca 0.56 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1jgn h ALA 78 Cb 0.92 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1jgn h ALA 78 CO -0.34 0.67 -0.31 1.25 0.00 0.00 0.00 179.25 180.52 1jgn h HIS 79 N 0.00 0.00 0.20 0.00 -0.00 0.42 -0.91 115.15 114.86 1jgn h HIS 79 Ca -0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 60.37 59.99 1jgn h HIS 79 Cb 1.42 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 28.84 1jgn h HIS 79 CO 0.00 0.31 -1.65 0.37 -0.00 0.00 0.00 177.93 176.96 1jgn h GLN 80 N 0.00 0.43 -0.12 5.26 4.15 -0.98 -3.02 115.11 120.83 1jgn h GLN 80 Ca -0.00 -0.74 -0.21 0.00 0.77 0.00 0.00 58.65 58.47 1jgn h GLN 80 Cb 0.80 0.28 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1jgn h GLN 80 CO 0.04 1.35 -0.77 0.00 -1.93 0.00 0.00 178.83 177.52 1jgn h ALA 81 N 0.16 0.42 0.00 3.38 0.00 -1.52 -1.49 119.26 120.21 1jgn h ALA 81 Ca -0.31 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 53.89 1jgn h ALA 81 Cb 2.12 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.86 1jgn h ALA 81 CO 0.21 0.72 -0.51 0.87 0.00 0.00 0.00 179.25 180.54 1jgn h LYS 82 N 0.43 0.00 0.00 0.00 6.56 -1.31 -3.05 116.57 119.21 1jgn h LYS 82 Ca -0.05 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.51 1jgn h LYS 82 Cb 1.37 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 33.03 1jgn h LYS 82 CO 0.15 0.51 -0.81 1.49 -2.06 0.00 0.00 179.45 178.72 1jgn h GLU 83 N 0.00 0.00 -0.13 3.15 4.81 -1.51 -3.29 114.58 117.61 1jgn h GLU 83 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1jgn h GLU 83 Cb 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1jgn h GLU 83 CO 0.07 0.09 0.00 0.00 -0.73 0.00 0.00 179.01 178.44 1jgn n ALA 84 N -2.20 2.50 -0.01 2.92 0.00 -0.57 -3.51 120.51 119.64 1jgn n ALA 84 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 1jgn n ALA 84 Cb 0.61 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.06 1jgn n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgn h ALA 85 N 2.87 0.00 -0.02 0.00 0.00 -1.66 -3.37 119.26 117.09 1jgn h ALA 85 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jgn h ALA 85 Cb 0.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1jgn h ALA 85 CO 0.00 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.31 1jgn n GLN 86 N -2.51 1.09 -3.08 0.00 6.02 -1.26 -4.80 117.38 112.85 1jgn n GLN 86 Ca -0.00 -0.14 -0.40 0.00 -0.01 0.00 0.00 57.00 56.45 1jgn n GLN 86 Cb 0.01 -1.32 -0.05 0.00 1.02 0.00 0.00 30.24 29.90 1jgn n GLN 86 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1jgn s LYS 87 N -1.98 4.35 -1.23 -1.09 2.20 -1.23 -4.99 119.74 115.78 1jgn s LYS 87 Ca 0.30 0.77 -0.17 0.00 -0.36 0.00 0.00 55.97 56.51 1jgn s LYS 87 Cb 0.14 -3.49 0.11 0.00 -1.51 0.00 0.00 37.83 33.08 1jgn s LYS 87 CO 0.23 -0.04 1.58 0.00 -0.36 0.00 0.00 175.35 176.76 1jgn s ALA 88 N 1.21 3.53 -1.32 3.13 0.00 -1.26 -4.91 121.76 122.13 1jgn s ALA 88 Ca 0.34 -3.03 -0.17 0.00 0.00 0.00 0.00 51.96 49.10 1jgn s ALA 88 Cb -0.17 -4.42 0.07 0.00 0.00 0.00 0.00 23.12 18.60 1jgn s ALA 88 CO 0.14 -3.11 1.81 0.28 0.00 0.00 0.00 175.76 174.88 1jgn n VAL 89 N 5.74 3.88 -3.08 0.00 0.31 -1.26 -4.92 118.33 119.00 1jgn n VAL 89 Ca 0.42 -3.94 -0.45 0.00 -0.01 0.00 0.00 64.34 60.36 1jgn n VAL 89 Cb 0.45 -2.39 -0.04 0.00 -0.91 0.00 0.00 33.84 30.95 1jgn n VAL 89 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1jgn s ASN 90 N 4.04 6.33 0.00 4.52 -0.87 -1.26 -4.86 114.94 122.84 1jgn s ASN 90 Ca 0.53 -1.65 0.18 0.00 -1.57 0.00 0.00 52.86 50.35 1jgn s ASN 90 Cb 0.06 -2.32 0.94 0.00 -0.02 0.00 0.00 41.25 39.91 1jgn s ASN 90 CO 0.05 -1.08 1.63 -1.20 -2.57 0.00 0.00 177.10 173.93 1jgn n SER 91 N 6.23 0.53 -4.55 -1.22 7.64 -1.26 -4.75 113.62 116.23 1jgn n SER 91 Ca -0.00 -1.54 -0.36 0.00 1.01 0.00 0.00 58.87 57.97 1jgn n SER 91 Cb 0.44 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 1jgn n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jgn s ALA 92 N -1.93 2.21 -0.02 -0.43 0.00 -1.26 -4.81 121.76 115.53 1jgn s ALA 92 Ca 0.28 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 1jgn s ALA 92 Cb 0.14 -4.38 -0.00 0.00 0.00 0.00 0.00 23.12 18.87 1jgn s ALA 92 CO 0.22 -3.97 -0.02 0.25 0.00 0.00 0.00 175.76 172.23 1jgn n THR 93 N 7.18 0.16 0.00 0.00 -2.24 -1.26 -5.01 114.28 113.10 1jgn n THR 93 Ca 0.23 0.47 0.00 0.00 -2.27 0.00 0.00 64.05 62.48 1jgn n THR 93 Cb 0.50 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 1jgn n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jgn n GLY 94 N 1.66 0.87 3.69 3.38 0.00 -1.26 -4.97 105.19 108.57 1jgn n GLY 94 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1jgn n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgn s VAL 95 N 0.85 4.84 -0.81 1.61 1.01 -1.26 -4.97 120.40 121.68 1jgn s VAL 95 Ca 0.00 1.92 -0.25 0.00 0.00 0.00 0.00 61.98 63.65 1jgn s VAL 95 Cb 0.00 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1jgn s VAL 95 CO 0.00 0.07 1.97 -2.16 0.00 0.00 0.00 175.10 174.98 1jgn s PRO 96 N 1.69 2.49 -0.16 2.72 0.04 -1.26 -4.77 135.00 135.75 1jgn s PRO 96 Ca 0.46 0.04 -0.13 0.00 0.04 0.00 0.00 61.00 61.42 1jgn s PRO 96 Cb -0.19 -4.86 -0.08 0.00 0.04 0.00 0.00 34.50 29.41 1jgn s PRO 96 CO 0.19 -3.29 -0.03 1.79 0.04 0.00 0.00 177.00 175.71 1jgn h THR 97 N 7.21 0.31 0.00 1.26 1.35 -2.02 -3.54 112.91 117.48 1jgn h THR 97 Ca -0.01 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 1jgn h THR 97 Cb 1.05 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1jgn h THR 97 CO 1.20 0.10 0.00 0.55 -0.25 0.00 0.00 175.52 177.12