#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 2.87 -0.79 1.61 0.04 -1.26 -4.91 135.00 132.56 1jgn s PRO 2 Ca 0.00 1.75 -0.26 0.00 0.04 0.00 0.00 61.00 62.53 1jgn s PRO 2 Cb 0.00 -4.41 0.03 0.00 0.04 0.00 0.00 34.50 30.17 1jgn s PRO 2 CO 0.00 -2.40 1.31 -0.48 0.04 0.00 0.00 177.00 175.47 1jgn s LEU 3 N 9.15 3.24 -0.80 -3.56 2.34 -1.26 -4.90 118.68 122.90 1jgn s LEU 3 Ca 0.96 -0.65 -0.04 0.00 0.06 0.00 0.00 54.13 54.46 1jgn s LEU 3 Cb -0.27 -2.56 0.11 0.00 -0.56 0.00 0.00 46.19 42.91 1jgn s LEU 3 CO 0.32 -1.77 2.55 0.61 -1.06 0.00 0.00 176.35 177.00 1jgn n GLY 4 N 5.68 4.81 3.86 -3.48 0.00 -1.26 -4.97 105.19 109.82 1jgn n GLY 4 Ca 0.09 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 1jgn n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jgn s SER 5 N 0.19 6.63 1.05 1.61 0.15 -1.26 -4.46 113.70 117.61 1jgn s SER 5 Ca 0.56 1.24 -0.04 0.00 0.70 0.00 0.00 55.95 58.40 1jgn s SER 5 Cb 0.31 -2.36 0.06 0.00 -1.71 0.00 0.00 66.02 62.32 1jgn s SER 5 CO -0.19 -0.35 0.24 -2.65 1.20 0.00 0.00 173.24 171.49 1jgn n PRO 6 N -0.99 -1.39 0.00 5.44 -0.02 -1.26 -4.93 135.00 131.85 1jgn n PRO 6 Ca 0.03 -0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.14 1jgn n PRO 6 Cb 0.54 -0.34 0.00 0.00 -0.02 0.00 0.00 33.50 33.67 1jgn n PRO 6 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1jgn n LEU 7 N 0.00 0.71 0.01 2.45 0.00 -1.26 -4.16 117.00 114.75 1jgn n LEU 7 Ca 0.03 0.16 -0.13 0.00 0.00 0.00 0.00 56.01 56.08 1jgn n LEU 7 Cb 0.13 -0.29 -0.14 0.00 0.00 0.00 0.00 43.42 43.12 1jgn n LEU 7 CO 0.09 -0.29 -0.46 0.00 0.00 0.00 0.00 177.39 176.73 1jgn h THR 8 N 0.00 0.97 -0.74 1.96 1.03 -1.95 -3.07 112.91 111.10 1jgn h THR 8 Ca 0.00 -2.74 0.03 0.00 -0.01 0.00 0.00 66.41 63.69 1jgn h THR 8 Cb 0.00 2.56 -0.04 0.00 -1.07 0.00 0.00 68.15 69.60 1jgn h THR 8 CO 0.00 0.69 0.49 0.00 -0.01 0.00 0.00 175.52 176.69 1jgn h ALA 9 N 0.72 1.54 -0.14 0.00 0.00 -1.93 0.63 119.26 120.08 1jgn h ALA 9 Ca -0.27 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 1jgn h ALA 9 Cb 1.99 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1jgn h ALA 9 CO 0.10 0.39 -0.50 1.03 0.00 0.00 0.00 179.25 180.28 1jgn h SER 10 N 0.93 0.40 -0.40 0.00 0.87 -1.72 -2.72 113.55 110.92 1jgn h SER 10 Ca 0.29 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 1jgn h SER 10 Cb 0.01 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1jgn h SER 10 CO -0.08 0.83 0.06 0.24 -0.53 0.00 0.00 176.83 177.35 1jgn h MET 11 N 0.29 0.75 -0.24 2.24 2.86 -0.88 -1.53 114.93 118.42 1jgn h MET 11 Ca 0.01 -0.17 0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1jgn h MET 11 Cb 0.98 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 32.47 1jgn h MET 11 CO 0.08 0.72 -0.20 -0.07 1.06 0.00 0.00 176.91 178.50 1jgn h LEU 12 N 0.71 -0.66 -1.46 1.22 4.07 -0.64 1.06 115.31 119.61 1jgn h LEU 12 Ca 0.15 0.13 -0.06 0.00 0.08 0.00 0.00 57.88 58.18 1jgn h LEU 12 Cb 0.36 0.32 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 1jgn h LEU 12 CO 0.01 -0.24 -0.28 0.00 -1.08 0.00 0.00 178.44 176.85 1jgn h ALA 13 N 0.89 1.42 -0.58 1.53 0.00 -1.47 -2.68 119.26 118.37 1jgn h ALA 13 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jgn h ALA 13 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jgn h ALA 13 CO -0.36 0.34 0.00 -1.13 0.00 0.00 0.00 179.25 178.10 1jgn n SER 14 N -4.02 5.17 -3.71 0.00 3.41 0.24 -4.87 113.62 109.84 1jgn n SER 14 Ca -0.02 -2.73 -0.21 0.00 -0.26 0.00 0.00 58.87 55.65 1jgn n SER 14 Cb 0.34 -0.62 -0.18 0.00 -0.26 0.00 0.00 64.21 63.49 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 -2.38 0.37 1.20 7.33 0.00 0.34 -4.96 121.76 123.66 1jgn s ALA 15 Ca 0.52 0.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 1jgn s ALA 15 Cb 0.37 -0.63 0.30 0.00 0.00 0.00 0.00 23.12 23.16 1jgn s ALA 15 CO 0.19 -0.45 1.02 -1.25 0.00 0.00 0.00 175.76 175.27 1jgn s PRO 16 N 2.02 -1.20 0.47 0.00 0.04 -1.26 -4.78 135.00 130.30 1jgn s PRO 16 Ca 0.04 0.85 0.16 0.00 0.04 0.00 0.00 61.00 62.09 1jgn s PRO 16 Cb -0.12 -1.52 1.15 0.00 0.04 0.00 0.00 34.50 34.05 1jgn s PRO 16 CO -0.04 -3.92 2.02 -1.35 0.04 0.00 0.00 177.00 173.76 1jgn h PRO 17 N -2.76 0.24 0.00 0.56 0.11 -2.01 0.13 132.00 128.26 1jgn h PRO 17 Ca -0.63 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.46 1jgn h PRO 17 Cb 1.34 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1jgn h PRO 17 CO 0.50 0.16 0.00 1.04 -0.21 0.00 0.00 178.00 179.49 1jgn n GLN 18 N -4.46 0.01 -0.13 1.05 6.02 -1.26 -2.47 117.38 116.14 1jgn n GLN 18 Ca 0.07 0.16 0.08 0.00 -0.01 0.00 0.00 57.00 57.30 1jgn n GLN 18 Cb 0.35 -1.50 0.27 0.00 1.02 0.00 0.00 30.24 30.38 1jgn n GLN 18 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1jgn n GLU 19 N -1.49 1.75 -0.10 -1.09 -0.58 0.45 -4.48 120.64 115.09 1jgn n GLU 19 Ca 0.05 -1.15 -0.14 0.00 -0.42 0.00 0.00 57.16 55.51 1jgn n GLU 19 Cb 0.23 -1.33 -0.09 0.00 -0.57 0.00 0.00 31.44 29.67 1jgn n GLU 19 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 1jgn h GLN 20 N 2.06 -0.41 -0.09 3.49 3.07 -1.60 0.12 115.11 121.75 1jgn h GLN 20 Ca 0.00 0.03 0.03 0.00 0.09 0.00 0.00 58.65 58.80 1jgn h GLN 20 Cb 0.46 0.09 -0.00 0.00 0.08 0.00 0.00 27.48 28.11 1jgn h GLN 20 CO 0.00 -0.27 0.22 1.57 0.09 0.00 0.00 178.83 180.44 1jgn h LYS 21 N -0.42 0.00 0.00 0.06 5.09 -1.76 0.13 116.57 119.67 1jgn h LYS 21 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.80 1jgn h LYS 21 Cb 0.59 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.92 1jgn h LYS 21 CO -0.53 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 177.77 1jgn n GLN 22 N -3.31 0.00 0.00 0.07 7.27 0.38 -4.25 117.38 117.54 1jgn n GLN 22 Ca -0.00 0.06 0.00 0.00 0.07 0.00 0.00 57.00 57.13 1jgn n GLN 22 Cb 0.31 -0.73 0.00 0.00 2.41 0.00 0.00 30.24 32.23 1jgn n GLN 22 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1jgn n MET 23 N -0.69 0.00 0.00 3.69 0.00 -1.04 -4.18 117.12 114.90 1jgn n MET 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1jgn n MET 23 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 33.22 33.14 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 -4.79 117.00 114.14 1jgn n LEU 24 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 1jgn n LEU 24 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.31 1jgn n LEU 24 CO 0.00 -0.11 0.00 0.61 -0.00 0.00 0.00 177.39 177.89 1jgn n GLY 25 N -1.10 2.76 0.01 1.47 0.00 0.45 -0.95 105.19 107.83 1jgn n GLY 25 Ca 0.00 0.10 -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 -0.01 0.00 1.61 3.07 -1.86 -3.06 114.58 114.33 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 -0.01 -0.00 -2.13 -1.40 0.00 0.00 179.01 175.47 1jgn n ARG 27 N -2.10 0.00 0.00 2.33 3.00 -0.83 -4.89 116.66 114.17 1jgn n ARG 27 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 1jgn n ARG 27 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 32.46 32.45 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 -0.24 6.15 7.99 -0.12 -3.39 117.00 127.38 1jgn n LEU 28 Ca 0.00 0.32 0.02 0.00 -0.01 0.00 0.00 56.01 56.34 1jgn n LEU 28 Cb 0.50 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.88 1jgn n LEU 28 CO 0.00 0.00 0.41 0.33 -1.51 0.00 0.00 177.39 176.62 1jgn n PHE 29 N -0.36 0.16 -0.30 -1.77 -0.00 -1.24 -0.46 117.46 113.48 1jgn n PHE 29 Ca 0.00 0.80 0.02 0.00 -0.00 0.00 0.00 57.45 58.26 1jgn n PHE 29 Cb 0.00 -0.83 0.15 0.00 -0.00 0.00 0.00 39.48 38.80 1jgn n PHE 29 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1jgn h PRO 30 N 0.00 0.87 -0.06 -7.13 0.13 -1.85 1.47 132.00 125.43 1jgn h PRO 30 Ca 0.28 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.33 1jgn h PRO 30 Cb 0.45 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.38 1jgn h PRO 30 CO -0.66 0.58 -0.09 -0.07 -0.23 0.00 0.00 178.00 177.53 1jgn h LEU 31 N 0.90 0.17 -0.53 1.56 3.38 -0.78 -2.65 115.31 117.36 1jgn h LEU 31 Ca 0.38 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1jgn h LEU 31 Cb 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1jgn h LEU 31 CO -0.20 0.68 0.00 -0.38 0.09 0.00 0.00 178.44 178.63 1jgn n ILE 32 N -4.69 0.80 -0.28 1.22 5.41 -0.93 -2.07 119.36 118.82 1jgn n ILE 32 Ca -0.08 0.17 -0.04 0.00 1.00 0.00 0.00 62.75 63.80 1jgn n ILE 32 Cb 0.33 -1.06 0.11 0.00 -0.71 0.00 0.00 39.64 38.31 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 1.16 0.00 0.38 5.75 0.24 1.33 115.11 123.97 1jgn h GLN 33 Ca 0.00 -0.16 -0.07 0.00 -0.15 0.00 0.00 58.65 58.27 1jgn h GLN 33 Cb 0.40 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1jgn h GLN 33 CO 0.00 0.88 -0.33 0.00 -2.65 0.00 0.00 178.83 176.73 1jgn h ALA 34 N 1.28 1.44 -0.75 3.38 0.00 -1.37 -1.78 119.26 121.46 1jgn h ALA 34 Ca 0.28 -0.30 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 1jgn h ALA 34 Cb 0.10 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 17.67 1jgn h ALA 34 CO -0.04 0.42 0.33 -1.33 0.00 0.00 0.00 179.25 178.64 1jgn n MET 35 N -4.12 3.11 0.12 0.00 2.81 0.54 -4.61 117.12 114.96 1jgn n MET 35 Ca -0.02 -3.07 0.02 0.00 -1.81 0.00 0.00 57.70 52.82 1jgn n MET 35 Cb 0.38 -2.15 0.39 0.00 -0.71 0.00 0.00 33.22 31.12 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 2.02 0.24 -1.17 2.03 -0.00 0.25 -3.13 115.15 115.39 1jgn h HIS 36 Ca 0.35 -0.03 0.38 0.00 -0.00 0.00 0.00 60.37 61.08 1jgn h HIS 36 Cb 2.39 -0.07 -0.09 0.00 -0.00 0.00 0.00 27.41 29.64 1jgn h HIS 36 CO 1.32 0.37 0.79 -2.30 -0.00 0.00 0.00 177.93 178.10 1jgn n PRO 37 N -4.27 -0.02 0.00 5.12 -0.02 -1.26 -2.12 135.00 132.42 1jgn n PRO 37 Ca -0.01 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1jgn n PRO 37 Cb 0.27 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 -1.18 -5.01 114.28 103.82 1jgn n THR 38 Ca 0.31 0.05 -0.05 0.00 -2.04 0.00 0.00 64.05 62.32 1jgn n THR 38 Cb 1.29 -0.14 0.08 0.00 -1.82 0.00 0.00 70.33 69.74 1jgn n THR 38 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1jgn n LEU 39 N -0.02 -1.72 0.09 -4.42 7.94 -0.90 -5.00 117.00 112.97 1jgn n LEU 39 Ca 0.00 -2.27 0.20 0.00 -1.11 0.00 0.00 56.01 52.83 1jgn n LEU 39 Cb 0.00 0.72 0.68 0.00 0.53 0.00 0.00 43.42 45.34 1jgn n LEU 39 CO 0.00 1.71 1.18 0.00 -1.11 0.00 0.00 177.39 179.17 1jgn h ALA 40 N 3.17 2.14 -0.00 1.96 0.00 -1.77 -2.92 119.26 121.84 1jgn h ALA 40 Ca -0.22 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1jgn h ALA 40 Cb 1.16 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1jgn h ALA 40 CO -0.02 -0.81 -0.38 0.78 0.00 0.00 0.00 179.25 178.82 1jgn h GLY 41 N 0.00 -1.21 1.78 0.00 0.00 -1.92 -2.29 103.07 99.43 1jgn h GLY 41 Ca 0.21 0.65 -0.21 0.00 0.00 0.00 0.00 47.33 47.97 1jgn h GLY 41 CO -0.00 -0.32 -0.97 1.70 0.00 0.00 0.00 176.54 176.95 1jgn h LYS 42 N -0.48 0.18 0.14 4.80 1.63 -1.96 -3.34 116.57 117.55 1jgn h LYS 42 Ca 0.01 -0.23 0.02 0.00 -0.85 0.00 0.00 60.65 59.59 1jgn h LYS 42 Cb 0.51 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.18 1jgn h LYS 42 CO -0.25 1.01 -0.34 0.82 -3.45 0.00 0.00 179.45 177.24 1jgn h ILE 43 N 0.09 0.29 -0.74 2.00 2.04 -1.51 -1.94 117.51 117.74 1jgn h ILE 43 Ca -0.06 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.97 1jgn h ILE 43 Cb 1.64 0.29 -0.12 0.00 -0.74 0.00 0.00 36.82 37.88 1jgn h ILE 43 CO 0.15 0.00 0.08 0.00 0.00 0.00 0.00 178.15 178.38 1jgn h THR 44 N -0.58 0.42 0.37 -0.27 1.03 -1.54 -1.32 112.91 111.01 1jgn h THR 44 Ca 0.02 -0.06 -0.01 0.00 -0.01 0.00 0.00 66.41 66.36 1jgn h THR 44 Cb 0.60 0.24 -0.02 0.00 -1.07 0.00 0.00 68.15 67.90 1jgn h THR 44 CO -0.19 0.03 -0.42 1.23 -0.01 0.00 0.00 175.52 176.17 1jgn h GLY 45 N 0.17 -1.17 0.57 2.99 0.00 -1.49 0.64 103.07 104.78 1jgn h GLY 45 Ca 0.41 0.55 0.05 0.00 0.00 0.00 0.00 47.33 48.35 1jgn h GLY 45 CO -0.59 -0.35 0.08 0.00 0.00 0.00 0.00 176.54 175.68 1jgn h MET 46 N -0.80 0.20 -0.00 4.80 -0.00 -0.97 0.01 114.93 118.18 1jgn h MET 46 Ca -0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 1jgn h MET 46 Cb 0.70 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.26 1jgn h MET 46 CO -0.08 0.13 0.00 1.28 -0.00 0.00 0.00 176.91 178.25 1jgn n LEU 47 N -5.08 0.02 0.07 -0.10 7.99 -0.54 -3.49 117.00 115.87 1jgn n LEU 47 Ca 0.02 -0.01 0.08 0.00 -0.01 0.00 0.00 56.01 56.09 1jgn n LEU 47 Cb 0.16 -0.00 0.36 0.00 -0.11 0.00 0.00 43.42 43.83 1jgn n LEU 47 CO 0.25 0.00 0.74 -0.11 -1.51 0.00 0.00 177.39 176.76 1jgn n LEU 48 N -0.87 0.32 -0.39 2.23 -0.00 0.22 -1.67 117.00 116.84 1jgn n LEU 48 Ca 0.18 0.60 0.00 0.00 -0.00 0.00 0.00 56.01 56.80 1jgn n LEU 48 Cb 0.09 -0.59 0.00 0.00 -0.00 0.00 0.00 43.42 42.91 1jgn n LEU 48 CO 0.14 -0.54 0.29 -0.62 -0.00 0.00 0.00 177.39 176.65 1jgn n GLU 49 N -1.88 0.95 -2.21 1.96 -0.58 -1.23 -4.77 120.64 112.88 1jgn n GLU 49 Ca 0.01 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.47 1jgn n GLU 49 Cb 0.13 -1.37 0.02 0.00 -0.57 0.00 0.00 31.44 29.65 1jgn n GLU 49 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1jgn s ILE 50 N -1.22 4.09 0.73 -3.67 2.07 -0.67 -5.06 121.20 117.48 1jgn s ILE 50 Ca 0.00 0.35 -0.12 0.00 -1.41 0.00 0.00 60.65 59.47 1jgn s ILE 50 Cb 0.00 -3.63 0.03 0.00 0.13 0.00 0.00 42.46 38.99 1jgn s ILE 50 CO 0.00 -0.73 1.09 -1.81 -1.91 0.00 0.00 174.94 171.58 1jgn s ASP 51 N -4.25 4.80 0.11 4.50 1.11 -1.26 -4.95 116.67 116.73 1jgn s ASP 51 Ca 0.54 1.82 0.11 0.00 0.18 0.00 0.00 52.55 55.21 1jgn s ASP 51 Cb -0.11 -2.52 -0.14 0.00 1.07 0.00 0.00 42.92 41.22 1jgn s ASP 51 CO 0.49 -1.84 1.12 0.78 1.18 0.00 0.00 175.17 176.90 1jgn h ASN 52 N -0.78 0.00 0.56 0.27 4.21 -1.97 -2.50 115.58 115.36 1jgn h ASN 52 Ca -0.44 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 56.90 1jgn h ASN 52 Cb 1.23 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.42 1jgn h ASN 52 CO 0.53 0.83 -0.76 -1.28 -1.29 0.00 0.00 177.43 175.46 1jgn h SER 53 N 0.00 0.19 1.19 5.81 0.87 -2.01 -3.06 113.55 116.54 1jgn h SER 53 Ca -0.09 -0.14 -0.12 0.00 -1.23 0.00 0.00 61.79 60.21 1jgn h SER 53 Cb 1.71 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.59 1jgn h SER 53 CO 0.09 0.88 -0.59 -0.33 -0.53 0.00 0.00 176.83 176.35 1jgn h GLU 54 N 0.10 0.00 -0.03 2.24 5.08 -1.95 -3.23 114.58 116.79 1jgn h GLU 54 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1jgn h GLU 54 Cb 1.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1jgn h GLU 54 CO 0.11 0.59 0.01 1.37 -1.00 0.00 0.00 179.01 180.10 1jgn h LEU 55 N 0.00 0.04 -0.91 1.33 8.10 -1.34 -2.67 115.31 119.85 1jgn h LEU 55 Ca -0.01 -0.12 0.02 0.00 0.11 0.00 0.00 57.88 57.88 1jgn h LEU 55 Cb 1.35 -0.01 -0.05 0.00 -0.44 0.00 0.00 40.66 41.51 1jgn h LEU 55 CO 0.08 0.15 0.60 0.17 -4.11 0.00 0.00 178.44 175.33 1jgn h LEU 56 N -0.08 1.03 -2.49 0.17 8.10 -1.62 -0.86 115.31 119.56 1jgn h LEU 56 Ca 0.01 -0.02 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 1jgn h LEU 56 Cb 0.12 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 40.09 1jgn h LEU 56 CO -0.00 0.73 -0.01 0.45 -4.11 0.00 0.00 178.44 175.50 1jgn h HIS 57 N 1.21 0.00 0.16 0.17 3.86 -1.53 -2.52 115.15 116.50 1jgn h HIS 57 Ca 0.34 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.55 1jgn h HIS 57 Cb -0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1jgn h HIS 57 CO -0.01 0.01 -0.08 0.52 0.86 0.00 0.00 177.93 179.23 1jgn h MET 58 N 0.00 -0.21 0.00 2.45 2.86 -0.82 0.05 114.93 119.26 1jgn h MET 58 Ca -0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1jgn h MET 58 Cb 0.16 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1jgn h MET 58 CO 0.00 -0.14 0.00 1.47 1.06 0.00 0.00 176.91 179.30 1jgn n LEU 59 N -4.92 0.00 -0.01 1.22 -0.00 -1.17 -0.59 117.00 111.54 1jgn n LEU 59 Ca -0.03 0.20 0.09 0.00 -0.00 0.00 0.00 56.01 56.27 1jgn n LEU 59 Cb 0.08 -0.20 -0.13 0.00 -0.00 0.00 0.00 43.42 43.17 1jgn n LEU 59 CO 0.06 -0.14 -0.65 1.21 -0.00 0.00 0.00 177.39 177.88 1jgn n GLU 60 N -1.20 0.61 -3.87 1.47 2.13 -0.95 -4.77 120.64 114.05 1jgn n GLU 60 Ca 0.06 -0.14 -0.29 0.00 0.66 0.00 0.00 57.16 57.44 1jgn n GLU 60 Cb 0.07 -1.40 -0.13 0.00 0.27 0.00 0.00 31.44 30.25 1jgn n GLU 60 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1jgn s SER 61 N -3.86 4.22 0.43 4.31 0.15 0.25 -4.96 113.70 114.23 1jgn s SER 61 Ca -0.05 -3.16 0.16 0.00 0.70 0.00 0.00 55.95 53.60 1jgn s SER 61 Cb 0.11 -1.48 1.06 0.00 -1.71 0.00 0.00 66.02 64.00 1jgn s SER 61 CO 0.71 -0.20 1.92 -0.65 1.20 0.00 0.00 173.24 176.23 1jgn h PRO 62 N 6.23 0.39 0.02 5.44 0.11 -1.86 0.63 132.00 142.96 1jgn h PRO 62 Ca 0.00 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1jgn h PRO 62 Cb 0.86 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1jgn h PRO 62 CO 0.65 0.26 -0.17 1.05 -0.21 0.00 0.00 178.00 179.58 1jgn h GLU 63 N 0.40 0.08 0.00 1.05 -0.00 -1.93 -2.39 114.58 111.80 1jgn h GLU 63 Ca 0.37 -0.11 -0.09 0.00 -0.00 0.00 0.00 59.36 59.53 1jgn h GLU 63 Cb 0.86 0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 29.63 1jgn h GLU 63 CO -0.12 0.96 -0.42 0.77 -0.00 0.00 0.00 179.01 180.20 1jgn h SER 64 N -0.75 0.00 0.05 3.06 0.02 -1.83 -3.04 113.55 111.06 1jgn h SER 64 Ca -0.03 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1jgn h SER 64 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1jgn h SER 64 CO 0.03 0.42 -0.02 0.25 -1.14 0.00 0.00 176.83 176.37 1jgn h LEU 65 N 0.00 -0.05 -1.91 5.07 7.12 0.17 -3.07 115.31 122.62 1jgn h LEU 65 Ca -0.00 0.00 0.25 0.00 0.13 0.00 0.00 57.88 58.26 1jgn h LEU 65 Cb 0.96 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.07 1jgn h LEU 65 CO 0.06 0.15 0.70 -0.09 -0.13 0.00 0.00 178.44 179.13 1jgn h ARG 66 N -0.44 0.00 -0.44 1.25 2.43 -1.55 0.72 114.38 116.35 1jgn h ARG 66 Ca -0.01 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 1jgn h ARG 66 Cb 0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1jgn h ARG 66 CO 0.01 0.00 -0.27 0.77 -1.51 0.00 0.00 179.97 178.97 1jgn h SER 67 N 0.00 0.98 0.76 -3.80 0.02 -1.63 0.12 113.55 110.00 1jgn h SER 67 Ca 0.41 -0.40 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1jgn h SER 67 Cb 1.81 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 64.08 1jgn h SER 67 CO -0.00 1.19 -0.36 0.11 -1.14 0.00 0.00 176.83 176.62 1jgn h LYS 68 N 0.81 -0.98 0.00 3.45 1.57 0.52 -2.90 116.57 119.04 1jgn h LYS 68 Ca 0.09 0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1jgn h LYS 68 Cb 0.85 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 1jgn h LYS 68 CO 0.07 -0.65 -0.01 0.28 -0.57 0.00 0.00 179.45 178.58 1jgn h VAL 69 N -1.27 0.06 -0.27 0.50 2.07 -1.39 -1.92 116.25 114.03 1jgn h VAL 69 Ca -0.10 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1jgn h VAL 69 Cb 0.78 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1jgn h VAL 69 CO 0.17 0.01 -0.04 -0.78 0.02 0.00 0.00 177.57 176.95 1jgn h ASP 70 N 0.00 -0.20 0.60 0.57 3.58 -0.54 0.25 116.42 120.68 1jgn h ASP 70 Ca -0.00 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.46 1jgn h ASP 70 Cb 0.16 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1jgn h ASP 70 CO 0.00 -0.06 -0.30 -0.08 -2.88 0.00 0.00 179.24 175.92 1jgn h GLU 71 N 0.03 0.00 0.16 0.28 4.81 -1.33 -3.11 114.58 115.42 1jgn h GLU 71 Ca 0.13 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1jgn h GLU 71 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1jgn h GLU 71 CO -0.25 0.30 -0.08 0.00 -0.73 0.00 0.00 179.01 178.25 1jgn h ALA 72 N 1.70 -0.22 -0.28 2.92 0.00 -0.30 -1.05 119.26 122.03 1jgn h ALA 72 Ca -0.00 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1jgn h ALA 72 Cb 0.68 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1jgn h ALA 72 CO 0.04 -0.56 0.22 -0.39 0.00 0.00 0.00 179.25 178.57 1jgn h VAL 73 N -0.35 0.71 -0.01 0.00 -1.51 -0.71 0.15 116.25 114.52 1jgn h VAL 73 Ca -0.02 0.00 -0.14 0.00 -1.23 0.00 0.00 66.70 65.31 1jgn h VAL 73 Cb 0.28 0.84 -0.02 0.00 -2.13 0.00 0.00 31.29 30.25 1jgn h VAL 73 CO 0.04 0.00 -0.63 0.00 -1.23 0.00 0.00 177.57 175.74 1jgn h ALA 74 N 1.81 0.92 -0.40 5.19 0.00 -1.28 -2.31 119.26 123.20 1jgn h ALA 74 Ca 0.13 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1jgn h ALA 74 Cb 0.58 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1jgn h ALA 74 CO -0.00 0.78 -0.20 -0.39 0.00 0.00 0.00 179.25 179.44 1jgn h VAL 75 N 0.04 1.27 0.11 0.00 -1.51 0.54 -1.06 116.25 115.64 1jgn h VAL 75 Ca -0.01 -1.29 -0.01 0.00 -1.23 0.00 0.00 66.70 64.16 1jgn h VAL 75 Cb 1.13 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 1jgn h VAL 75 CO 0.09 0.43 -0.05 0.25 -1.23 0.00 0.00 177.57 177.06 1jgn h LEU 76 N 0.68 -0.13 -1.49 4.19 6.46 -1.42 0.20 115.31 123.81 1jgn h LEU 76 Ca 0.10 -0.43 0.10 0.00 -0.12 0.00 0.00 57.88 57.53 1jgn h LEU 76 Cb 0.70 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.61 1jgn h LEU 76 CO 0.05 0.42 0.47 0.06 -0.62 0.00 0.00 178.44 178.83 1jgn h GLN 77 N -0.74 0.55 0.00 1.25 -0.00 -1.44 0.31 115.11 115.04 1jgn h GLN 77 Ca -0.02 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.58 1jgn h GLN 77 Cb 0.55 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.48 27.90 1jgn h GLN 77 CO 0.03 0.37 -0.20 0.00 -0.00 0.00 0.00 178.83 179.02 1jgn h ALA 78 N 1.64 0.89 -0.00 0.06 0.00 -1.17 -3.22 119.26 117.46 1jgn h ALA 78 Ca 0.33 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1jgn h ALA 78 Cb 0.53 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1jgn h ALA 78 CO -0.11 0.14 -0.41 1.25 0.00 0.00 0.00 179.25 180.12 1jgn h HIS 79 N 0.00 0.00 0.00 0.00 -0.00 0.29 -2.20 115.15 113.24 1jgn h HIS 79 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1jgn h HIS 79 Cb 1.09 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.50 1jgn h HIS 79 CO 0.00 0.41 0.00 1.04 -0.00 0.00 0.00 177.93 179.38 1jgn n GLN 80 N -4.06 0.89 0.00 5.26 6.02 -0.91 -2.93 117.38 121.65 1jgn n GLN 80 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1jgn n GLN 80 Cb 0.44 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.50 1jgn n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jgn n ALA 81 N -0.70 0.00 0.17 -1.58 0.00 -0.83 -3.62 120.51 113.95 1jgn n ALA 81 Ca 0.08 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.58 1jgn n ALA 81 Cb 0.04 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.56 1jgn n ALA 81 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jgn h LYS 82 N 0.00 0.00 -0.04 0.00 1.57 -1.74 -3.28 116.57 113.08 1jgn h LYS 82 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1jgn h LYS 82 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1jgn h LYS 82 CO 0.00 0.34 -0.80 1.49 -0.57 0.00 0.00 179.45 179.91 1jgn h GLU 83 N 0.00 0.36 0.00 3.15 4.57 -1.77 -2.98 114.58 117.91 1jgn h GLU 83 Ca -0.00 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 1jgn h GLU 83 Cb 1.26 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1jgn h GLU 83 CO 0.04 0.99 0.00 0.00 -1.18 0.00 0.00 179.01 178.86 1jgn n ALA 84 N -2.51 2.34 0.72 2.92 0.00 -1.24 -3.20 120.51 119.55 1jgn n ALA 84 Ca -0.05 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.38 1jgn n ALA 84 Cb 0.75 -1.25 0.39 0.00 0.00 0.00 0.00 19.45 19.34 1jgn n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgn n ALA 85 N -0.82 1.86 -0.11 0.00 0.00 -1.13 -3.07 120.51 117.24 1jgn n ALA 85 Ca 0.12 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.26 1jgn n ALA 85 Cb 0.05 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.14 1jgn n ALA 85 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1jgn n GLN 86 N -1.32 0.56 -2.21 0.00 7.27 -1.19 -4.96 117.38 115.53 1jgn n GLN 86 Ca 0.07 0.50 -0.32 0.00 0.07 0.00 0.00 57.00 57.32 1jgn n GLN 86 Cb 0.14 -1.68 -0.02 0.00 2.41 0.00 0.00 30.24 31.09 1jgn n GLN 86 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1jgn s LYS 87 N -2.40 3.81 -0.14 3.69 1.02 -1.17 -4.95 119.74 119.60 1jgn s LYS 87 Ca -0.30 0.89 0.05 0.00 0.02 0.00 0.00 55.97 56.63 1jgn s LYS 87 Cb 0.08 -2.11 0.38 0.00 -0.52 0.00 0.00 37.83 35.65 1jgn s LYS 87 CO 0.55 -0.39 1.18 0.00 -0.92 0.00 0.00 175.35 175.77 1jgn n ALA 88 N -1.99 3.37 0.07 5.17 0.00 -1.26 -4.08 120.51 121.79 1jgn n ALA 88 Ca 0.06 -1.03 0.05 0.00 0.00 0.00 0.00 53.44 52.52 1jgn n ALA 88 Cb 0.54 -1.10 0.23 0.00 0.00 0.00 0.00 19.45 19.12 1jgn n ALA 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jgn n VAL 89 N 0.16 1.35 -3.38 0.00 0.31 -1.26 -4.87 118.33 110.64 1jgn n VAL 89 Ca 0.17 -0.77 -0.38 0.00 -0.01 0.00 0.00 64.34 63.35 1jgn n VAL 89 Cb 0.79 -0.19 -0.08 0.00 -0.91 0.00 0.00 33.84 33.46 1jgn n VAL 89 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1jgn s ASN 90 N -0.61 6.39 0.53 4.52 2.47 -1.26 -5.08 114.94 121.90 1jgn s ASN 90 Ca 0.32 0.46 -0.05 0.00 0.42 0.00 0.00 52.86 54.01 1jgn s ASN 90 Cb 0.22 -2.23 -0.01 0.00 -1.45 0.00 0.00 41.25 37.78 1jgn s ASN 90 CO 0.12 -0.11 0.82 -0.94 -3.72 0.00 0.00 177.10 173.27 1jgn s SER 91 N 1.21 5.92 -0.78 -4.21 1.04 -1.26 -5.02 113.70 110.60 1jgn s SER 91 Ca 0.18 0.76 -0.21 0.00 0.48 0.00 0.00 55.95 57.16 1jgn s SER 91 Cb -0.15 -1.93 0.10 0.00 0.10 0.00 0.00 66.02 64.14 1jgn s SER 91 CO 0.08 -0.81 1.04 0.00 0.98 0.00 0.00 173.24 174.54 1jgn s ALA 92 N -2.83 3.21 -0.99 5.32 0.00 -1.26 -4.97 121.76 120.25 1jgn s ALA 92 Ca 0.50 -2.25 -0.14 0.00 0.00 0.00 0.00 51.96 50.08 1jgn s ALA 92 Cb -0.10 -3.95 0.20 0.00 0.00 0.00 0.00 23.12 19.27 1jgn s ALA 92 CO 0.44 -2.88 1.05 0.95 0.00 0.00 0.00 175.76 175.33 1jgn s THR 93 N 3.49 5.40 0.33 0.00 -4.23 -1.26 -5.02 115.64 114.35 1jgn s THR 93 Ca 0.27 -2.52 0.01 0.00 -1.18 0.00 0.00 61.69 58.27 1jgn s THR 93 Cb -0.12 -4.65 0.06 0.00 1.34 0.00 0.00 72.50 69.13 1jgn s THR 93 CO 0.01 -1.28 0.46 0.61 -0.54 0.00 0.00 174.62 173.88 1jgn n GLY 94 N 4.05 1.06 3.58 3.99 0.00 -1.26 -5.05 105.19 111.56 1jgn n GLY 94 Ca 0.23 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.20 4.72 0.70 1.61 1.01 -1.26 -5.04 120.40 120.95 1jgn s VAL 95 Ca 0.31 0.83 -0.16 0.00 0.00 0.00 0.00 61.98 62.96 1jgn s VAL 95 Cb -0.02 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1jgn s VAL 95 CO 0.21 -0.47 0.89 -2.65 0.00 0.00 0.00 175.10 173.08 1jgn n PRO 96 N 6.46 0.54 0.04 2.72 -0.02 -1.26 -4.91 135.00 138.56 1jgn n PRO 96 Ca 0.03 0.23 0.13 0.00 -2.02 0.00 0.00 63.50 61.87 1jgn n PRO 96 Cb 0.48 -2.14 0.39 0.00 -0.02 0.00 0.00 33.50 32.21 1jgn n PRO 96 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1jgn n THR 97 N -2.35 0.21 0.17 3.45 -1.04 -1.26 -5.34 114.28 108.12 1jgn n THR 97 Ca 0.13 -0.13 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 1jgn n THR 97 Cb 0.49 -0.26 0.02 0.00 -1.82 0.00 0.00 70.33 68.75 1jgn n THR 97 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98