#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgn h PRO 2 N 0.00 0.94 0.00 1.61 0.11 -2.06 -0.43 132.00 132.18 1jgn h PRO 2 Ca 0.00 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.95 1jgn h PRO 2 Cb 0.00 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 1jgn h PRO 2 CO 0.00 0.62 -0.49 1.25 -0.21 0.00 0.00 178.00 179.17 1jgn h LEU 3 N 0.97 0.00 -8.16 2.35 6.46 -2.12 -3.40 115.31 111.41 1jgn h LEU 3 Ca 0.46 0.00 -0.65 0.00 -0.12 0.00 0.00 57.88 57.57 1jgn h LEU 3 Cb 0.45 0.00 -0.16 0.00 -0.73 0.00 0.00 40.66 40.22 1jgn h LEU 3 CO -0.23 0.49 0.62 -0.83 -0.62 0.00 0.00 178.44 177.87 1jgn s GLY 4 N -4.42 1.55 -0.14 3.75 0.00 -0.17 -4.88 107.32 103.02 1jgn s GLY 4 Ca 0.00 -2.14 -0.27 0.00 0.00 0.00 0.00 44.72 42.31 1jgn s GLY 4 CO 0.72 2.03 0.70 0.23 0.00 0.00 0.00 173.10 176.78 1jgn h SER 5 N 9.34 0.00 -1.85 1.64 0.87 -1.78 -3.45 113.55 118.32 1jgn h SER 5 Ca -0.15 -0.93 -0.60 0.00 -1.23 0.00 0.00 61.79 58.88 1jgn h SER 5 Cb 1.06 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1jgn h SER 5 CO 1.16 1.01 1.47 -0.81 -0.53 0.00 0.00 176.83 179.13 1jgn n PRO 6 N -4.61 1.85 -0.08 2.24 -0.04 -1.26 -4.85 135.00 128.25 1jgn n PRO 6 Ca -0.11 0.51 -0.07 0.00 -0.04 0.00 0.00 63.50 63.79 1jgn n PRO 6 Cb 0.47 -3.10 -0.02 0.00 -0.04 0.00 0.00 33.50 30.80 1jgn n PRO 6 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jgn n LEU 7 N 11.25 1.87 0.01 1.53 4.77 -1.26 -4.05 117.00 131.11 1jgn n LEU 7 Ca 0.31 0.50 -0.12 0.00 -0.03 0.00 0.00 56.01 56.68 1jgn n LEU 7 Cb 0.41 -0.82 -0.14 0.00 -2.33 0.00 0.00 43.42 40.55 1jgn n LEU 7 CO 0.68 -0.37 -0.46 0.00 -1.33 0.00 0.00 177.39 175.92 1jgn h THR 8 N -1.00 0.97 -0.51 -5.08 1.03 -1.94 -3.09 112.91 103.29 1jgn h THR 8 Ca -0.01 -2.75 0.03 0.00 -0.01 0.00 0.00 66.41 63.67 1jgn h THR 8 Cb 0.74 2.54 -0.03 0.00 -1.07 0.00 0.00 68.15 70.33 1jgn h THR 8 CO -0.01 0.66 0.34 0.00 -0.01 0.00 0.00 175.52 176.50 1jgn h ALA 9 N 0.77 1.75 -0.15 0.00 0.00 -1.94 0.20 119.26 119.89 1jgn h ALA 9 Ca -0.27 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1jgn h ALA 9 Cb 1.99 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1jgn h ALA 9 CO 0.10 0.20 -0.60 1.03 0.00 0.00 0.00 179.25 179.98 1jgn h SER 10 N 0.58 0.56 -0.54 0.00 0.87 -1.70 -2.97 113.55 110.36 1jgn h SER 10 Ca 0.20 -0.32 -0.07 0.00 -1.23 0.00 0.00 61.79 60.38 1jgn h SER 10 Cb 0.09 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 1jgn h SER 10 CO -0.05 1.03 0.10 0.24 -0.53 0.00 0.00 176.83 177.62 1jgn h MET 11 N 0.37 0.93 -0.32 2.24 2.86 -0.80 -1.43 114.93 118.78 1jgn h MET 11 Ca -0.00 -0.23 0.07 0.00 -2.06 0.00 0.00 59.70 57.48 1jgn h MET 11 Cb 1.15 -0.12 -0.07 0.00 0.06 0.00 0.00 31.60 32.62 1jgn h MET 11 CO 0.11 0.86 -0.13 -0.07 1.06 0.00 0.00 176.91 178.75 1jgn h LEU 12 N 0.88 -0.43 -1.58 1.22 3.38 -0.57 1.07 115.31 119.28 1jgn h LEU 12 Ca 0.18 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 1jgn h LEU 12 Cb 0.38 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1jgn h LEU 12 CO 0.01 -0.16 -0.21 0.00 0.09 0.00 0.00 178.44 178.16 1jgn h ALA 13 N 1.21 1.31 -0.57 1.53 0.00 -1.46 -2.44 119.26 118.83 1jgn h ALA 13 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jgn h ALA 13 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1jgn h ALA 13 CO -0.36 0.27 0.00 0.45 0.00 0.00 0.00 179.25 179.61 1jgn n SER 14 N -3.79 5.23 -3.08 0.00 2.88 0.74 -4.52 113.62 111.08 1jgn n SER 14 Ca -0.02 -2.77 -0.20 0.00 -1.33 0.00 0.00 58.87 54.55 1jgn n SER 14 Cb 0.32 -0.63 -0.03 0.00 -0.75 0.00 0.00 64.21 63.12 1jgn n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jgn n ALA 15 N 0.68 2.85 -0.04 -1.46 0.00 0.34 -4.95 120.51 117.92 1jgn n ALA 15 Ca 0.26 -3.74 -0.08 0.00 0.00 0.00 0.00 53.44 49.88 1jgn n ALA 15 Cb 1.06 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 1jgn n ALA 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jgn h PRO 16 N 2.99 0.03 0.00 0.00 0.11 -1.79 -3.40 132.00 129.94 1jgn h PRO 16 Ca 0.10 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1jgn h PRO 16 Cb 0.86 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1jgn h PRO 16 CO 0.59 0.02 0.00 -0.35 -0.21 0.00 0.00 178.00 178.05 1jgn n PRO 17 N -5.17 0.56 -1.32 1.05 -0.04 -1.26 -4.78 135.00 124.04 1jgn n PRO 17 Ca -0.02 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.01 1jgn n PRO 17 Cb 0.12 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.54 1jgn n PRO 17 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1jgn n GLN 18 N -0.32 1.95 -0.24 0.54 6.02 -1.26 -4.46 117.38 119.60 1jgn n GLN 18 Ca 0.00 -2.07 0.09 0.00 -0.01 0.00 0.00 57.00 55.01 1jgn n GLN 18 Cb 0.00 -3.02 0.22 0.00 1.02 0.00 0.00 30.24 28.47 1jgn n GLN 18 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1jgn n GLU 19 N 6.63 2.58 -0.08 -1.09 4.07 -1.26 -4.68 120.64 126.81 1jgn n GLU 19 Ca 0.50 -2.28 -0.12 0.00 -0.06 0.00 0.00 57.16 55.20 1jgn n GLU 19 Cb 0.39 -1.43 -0.09 0.00 -0.06 0.00 0.00 31.44 30.25 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 3.44 -0.39 -0.20 5.31 -0.00 -1.82 0.14 115.11 121.59 1jgn h GLN 20 Ca 0.00 0.03 0.06 0.00 -0.00 0.00 0.00 58.65 58.73 1jgn h GLN 20 Cb 0.87 0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 28.43 1jgn h GLN 20 CO 0.00 -0.26 0.24 1.57 -0.00 0.00 0.00 178.83 180.38 1jgn h LYS 21 N -0.41 0.00 0.00 0.06 2.10 -1.81 0.28 116.57 116.79 1jgn h LYS 21 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1jgn h LYS 21 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1jgn h LYS 21 CO -0.46 0.00 0.00 0.94 -2.00 0.00 0.00 179.45 177.93 1jgn n GLN 22 N -3.71 0.00 0.00 0.07 -0.06 0.42 -4.19 117.38 109.91 1jgn n GLN 22 Ca 0.02 0.15 0.00 0.00 -2.00 0.00 0.00 57.00 55.17 1jgn n GLN 22 Cb 0.36 -0.82 0.00 0.00 -4.06 0.00 0.00 30.24 25.73 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 -0.94 0.00 0.00 3.69 0.00 -0.74 -4.21 117.12 114.92 1jgn n MET 23 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.71 1jgn n MET 23 Cb 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 33.22 33.19 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 -1.23 -4.80 117.00 114.14 1jgn n LEU 24 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 1jgn n LEU 24 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 1jgn n LEU 24 CO 0.00 -0.08 0.00 0.61 -0.00 0.00 0.00 177.39 177.92 1jgn n GLY 25 N -0.88 3.05 0.00 1.47 0.00 0.97 -1.25 105.19 108.55 1jgn n GLY 25 Ca 0.02 0.09 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.84 -3.07 114.58 114.35 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 -2.01 0.00 0.00 2.33 3.00 -0.84 -4.87 116.66 114.27 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 -0.29 6.15 7.99 -0.38 -3.36 117.00 127.11 1jgn n LEU 28 Ca 0.00 0.56 0.06 0.00 -0.01 0.00 0.00 56.01 56.61 1jgn n LEU 28 Cb 0.50 -0.06 0.13 0.00 -0.11 0.00 0.00 43.42 43.88 1jgn n LEU 28 CO 0.00 -0.06 0.54 0.33 -1.51 0.00 0.00 177.39 176.70 1jgn n PHE 29 N -0.75 0.32 -0.27 -1.77 -0.00 -1.24 -0.62 117.46 113.13 1jgn n PHE 29 Ca 0.00 0.98 0.02 0.00 -0.00 0.00 0.00 57.45 58.45 1jgn n PHE 29 Cb 0.00 -0.98 0.15 0.00 -0.00 0.00 0.00 39.48 38.65 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 0.71 -0.05 -7.13 0.11 -1.85 1.15 132.00 124.94 1jgn h PRO 30 Ca 0.40 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.44 1jgn h PRO 30 Cb 0.64 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1jgn h PRO 30 CO -0.82 0.47 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.29 1jgn h LEU 31 N 0.73 0.15 -0.52 2.35 3.38 -0.87 -2.78 115.31 117.76 1jgn h LEU 31 Ca 0.37 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1jgn h LEU 31 Cb 0.34 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1jgn h LEU 31 CO -0.24 0.68 0.00 -0.38 0.09 0.00 0.00 178.44 178.59 1jgn n ILE 32 N -4.70 0.78 -0.29 1.22 5.41 -0.92 -2.19 119.36 118.67 1jgn n ILE 32 Ca -0.08 0.14 -0.05 0.00 1.00 0.00 0.00 62.75 63.76 1jgn n ILE 32 Cb 0.33 -1.04 0.07 0.00 -0.71 0.00 0.00 39.64 38.29 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 1.15 -0.03 0.38 4.15 0.16 1.34 115.11 122.25 1jgn h GLN 33 Ca 0.00 -0.16 -0.06 0.00 0.77 0.00 0.00 58.65 59.20 1jgn h GLN 33 Cb 0.42 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1jgn h GLN 33 CO 0.00 0.88 -0.25 0.00 -1.93 0.00 0.00 178.83 177.53 1jgn h ALA 34 N 1.21 1.52 -0.74 3.38 0.00 -1.40 -1.65 119.26 121.58 1jgn h ALA 34 Ca 0.28 -0.25 -0.32 0.00 0.00 0.00 0.00 54.91 54.62 1jgn h ALA 34 Cb 0.10 -0.05 -0.19 0.00 0.00 0.00 0.00 17.79 17.65 1jgn h ALA 34 CO -0.04 0.35 0.34 -1.33 0.00 0.00 0.00 179.25 178.58 1jgn n MET 35 N -4.22 2.77 0.09 0.00 2.81 0.28 -4.65 117.12 114.21 1jgn n MET 35 Ca -0.02 -3.07 0.03 0.00 -1.81 0.00 0.00 57.70 52.84 1jgn n MET 35 Cb 0.32 -2.11 0.41 0.00 -0.71 0.00 0.00 33.22 31.13 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 1.67 0.31 -1.36 2.03 -0.00 0.26 -3.07 115.15 114.99 1jgn h HIS 36 Ca 0.39 -0.02 0.43 0.00 -0.00 0.00 0.00 60.37 61.16 1jgn h HIS 36 Cb 2.38 -0.10 -0.09 0.00 -0.00 0.00 0.00 27.41 29.60 1jgn h HIS 36 CO 1.32 0.34 0.94 -2.30 -0.00 0.00 0.00 177.93 178.23 1jgn n PRO 37 N -4.35 -0.01 0.00 5.12 -0.02 -1.26 -2.22 135.00 132.26 1jgn n PRO 37 Ca 0.00 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1jgn n PRO 37 Cb 0.20 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 -3.92 0.00 -2.69 3.45 -1.04 -1.16 -5.00 114.28 103.93 1jgn n THR 38 Ca 0.34 0.05 -0.05 0.00 -2.04 0.00 0.00 64.05 62.36 1jgn n THR 38 Cb 1.46 -0.14 0.10 0.00 -1.82 0.00 0.00 70.33 69.92 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 -0.08 -1.61 -0.37 -4.42 4.77 -0.94 -5.00 117.00 109.34 1jgn n LEU 39 Ca 0.00 -2.44 0.34 0.00 -0.03 0.00 0.00 56.01 53.88 1jgn n LEU 39 Cb 0.00 0.94 0.70 0.00 -2.33 0.00 0.00 43.42 42.72 1jgn n LEU 39 CO 0.00 1.75 1.31 0.00 -1.33 0.00 0.00 177.39 179.12 1jgn h ALA 40 N 2.54 2.96 -0.11 -1.18 0.00 -1.77 -2.97 119.26 118.73 1jgn h ALA 40 Ca -0.24 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1jgn h ALA 40 Cb 1.18 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1jgn h ALA 40 CO 0.03 -1.36 -0.09 0.78 0.00 0.00 0.00 179.25 178.61 1jgn h GLY 41 N 0.10 -2.08 2.00 0.00 0.00 -1.92 -2.41 103.07 98.76 1jgn h GLY 41 Ca 0.63 0.95 -0.17 0.00 0.00 0.00 0.00 47.33 48.74 1jgn h GLY 41 CO -0.11 -0.74 -0.81 1.70 0.00 0.00 0.00 176.54 176.58 1jgn h LYS 42 N -0.04 0.00 -0.16 4.80 1.63 -1.97 -3.34 116.57 117.49 1jgn h LYS 42 Ca 0.02 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.87 1jgn h LYS 42 Cb 0.08 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.66 1jgn h LYS 42 CO -0.12 0.81 -0.17 0.82 -3.45 0.00 0.00 179.45 177.33 1jgn h ILE 43 N 0.00 0.54 -0.77 2.00 2.04 -1.43 -1.29 117.51 118.61 1jgn h ILE 43 Ca -0.01 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.03 1jgn h ILE 43 Cb 1.50 0.54 -0.12 0.00 -0.74 0.00 0.00 36.82 38.00 1jgn h ILE 43 CO 0.10 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.42 1jgn h THR 44 N -0.20 0.45 0.21 -0.27 1.03 -1.56 -2.28 112.91 110.29 1jgn h THR 44 Ca 0.11 -0.08 0.01 0.00 -0.01 0.00 0.00 66.41 66.43 1jgn h THR 44 Cb 0.36 0.19 -0.04 0.00 -1.07 0.00 0.00 68.15 67.60 1jgn h THR 44 CO -0.28 0.04 -0.50 1.23 -0.01 0.00 0.00 175.52 176.00 1jgn h GLY 45 N 0.24 -1.19 0.58 2.99 0.00 -1.39 0.52 103.07 104.82 1jgn h GLY 45 Ca 0.44 0.63 0.02 0.00 0.00 0.00 0.00 47.33 48.43 1jgn h GLY 45 CO -0.56 -0.30 -0.18 0.00 0.00 0.00 0.00 176.54 175.50 1jgn h MET 46 N -0.79 -0.30 -0.01 4.80 -0.00 -1.17 -1.34 114.93 116.13 1jgn h MET 46 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1jgn h MET 46 Cb 0.76 0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.43 1jgn h MET 46 CO -0.22 -0.20 0.00 1.28 -0.00 0.00 0.00 176.91 177.77 1jgn n LEU 47 N -5.31 0.06 0.16 -0.10 7.99 -0.90 -3.65 117.00 115.24 1jgn n LEU 47 Ca -0.05 -0.03 0.12 0.00 -0.01 0.00 0.00 56.01 56.04 1jgn n LEU 47 Cb 0.23 -0.01 0.56 0.00 -0.11 0.00 0.00 43.42 44.09 1jgn n LEU 47 CO 0.25 0.01 0.86 0.25 -1.51 0.00 0.00 177.39 177.26 1jgn h LEU 48 N 0.07 0.00 -1.05 2.23 7.12 0.13 -2.36 115.31 121.45 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 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.15 1jgn h LEU 48 CO 0.00 0.00 0.00 -0.62 -0.13 0.00 0.00 178.44 177.69 1jgn n GLU 49 N -2.32 0.98 -2.21 1.25 -0.58 -1.24 -4.70 120.64 111.82 1jgn n GLU 49 Ca 0.01 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.46 1jgn n GLU 49 Cb 0.16 -1.47 0.02 0.00 -0.57 0.00 0.00 31.44 29.58 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 -0.95 4.43 0.73 -3.67 2.07 -0.89 -5.05 121.20 117.87 1jgn s ILE 50 Ca 0.00 0.45 -0.13 0.00 -1.41 0.00 0.00 60.65 59.56 1jgn s ILE 50 Cb 0.00 -3.74 0.04 0.00 0.13 0.00 0.00 42.46 38.88 1jgn s ILE 50 CO 0.00 -0.87 1.12 -1.81 -1.91 0.00 0.00 174.94 171.47 1jgn s ASP 51 N -4.20 4.63 0.07 4.50 1.11 -1.26 -4.94 116.67 116.58 1jgn s ASP 51 Ca 0.53 1.99 0.05 0.00 0.18 0.00 0.00 52.55 55.30 1jgn s ASP 51 Cb -0.11 -2.55 -0.23 0.00 1.07 0.00 0.00 42.92 41.11 1jgn s ASP 51 CO 0.49 -1.96 1.09 0.78 1.18 0.00 0.00 175.17 176.76 1jgn h ASN 52 N -0.56 0.11 0.63 0.27 4.21 -1.97 -2.14 115.58 116.12 1jgn h ASN 52 Ca -0.45 -0.13 -0.16 0.00 1.21 0.00 0.00 56.30 56.77 1jgn h ASN 52 Cb 1.25 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 38.39 1jgn h ASN 52 CO 0.52 1.11 -0.72 -1.28 -1.29 0.00 0.00 177.43 175.77 1jgn h SER 53 N 0.02 0.08 1.30 5.81 0.87 -2.01 -3.01 113.55 116.62 1jgn h SER 53 Ca -0.11 -0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.28 1jgn h SER 53 Cb 1.87 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.79 1jgn h SER 53 CO 0.13 0.77 -0.57 1.05 -0.53 0.00 0.00 176.83 177.68 1jgn h GLU 54 N 0.04 0.00 -0.05 2.24 -0.00 -1.95 -3.20 114.58 111.67 1jgn h GLU 54 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1jgn h GLU 54 Cb 1.27 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.01 1jgn h GLU 54 CO 0.10 0.57 0.03 1.37 -0.00 0.00 0.00 179.01 181.08 1jgn h LEU 55 N 0.00 0.06 -0.92 3.06 8.10 -1.24 -2.25 115.31 122.12 1jgn h LEU 55 Ca -0.01 -0.07 -0.04 0.00 0.11 0.00 0.00 57.88 57.87 1jgn h LEU 55 Cb 1.38 -0.01 -0.03 0.00 -0.44 0.00 0.00 40.66 41.55 1jgn h LEU 55 CO 0.07 0.11 0.32 0.17 -4.11 0.00 0.00 178.44 175.00 1jgn h LEU 56 N -0.00 1.01 -2.61 0.17 8.10 -1.63 -1.25 115.31 119.09 1jgn h LEU 56 Ca 0.02 -0.14 -0.00 0.00 0.11 0.00 0.00 57.88 57.87 1jgn h LEU 56 Cb 0.07 -0.26 -0.00 0.00 -0.44 0.00 0.00 40.66 40.03 1jgn h LEU 56 CO -0.00 0.88 -0.00 -0.74 -4.11 0.00 0.00 178.44 174.47 1jgn h HIS 57 N 1.08 0.00 0.03 0.17 2.76 -1.48 -2.59 115.15 115.12 1jgn h HIS 57 Ca 0.25 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1jgn h HIS 57 Cb 0.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.14 1jgn h HIS 57 CO 0.02 0.00 -0.01 0.52 -1.30 0.00 0.00 177.93 177.16 1jgn h MET 58 N 0.00 -0.04 0.00 5.26 2.86 -0.63 -1.32 114.93 121.06 1jgn h MET 58 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jgn h MET 58 Cb 0.12 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1jgn h MET 58 CO 0.00 0.68 0.00 1.47 1.06 0.00 0.00 176.91 180.12 1jgn n LEU 59 N -4.73 0.06 -0.11 1.22 -0.00 -1.05 -0.76 117.00 111.63 1jgn n LEU 59 Ca -0.08 0.52 0.07 0.00 -0.00 0.00 0.00 56.01 56.52 1jgn n LEU 59 Cb 0.35 -0.52 -0.05 0.00 -0.00 0.00 0.00 43.42 43.20 1jgn n LEU 59 CO 0.30 -0.43 0.06 -1.84 -0.00 0.00 0.00 177.39 175.48 1jgn n GLU 60 N -1.58 2.13 -3.83 1.47 -0.00 -1.00 -4.75 120.64 113.08 1jgn n GLU 60 Ca 0.01 -0.26 -0.28 0.00 -0.00 0.00 0.00 57.16 56.64 1jgn n GLU 60 Cb 0.08 -1.19 -0.12 0.00 -0.00 0.00 0.00 31.44 30.21 1jgn n GLU 60 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1jgn n SER 61 N -0.94 2.55 -0.05 -1.84 7.64 0.06 -4.93 113.62 116.11 1jgn n SER 61 Ca 0.04 -3.10 0.14 0.00 1.01 0.00 0.00 58.87 56.95 1jgn n SER 61 Cb 0.25 -0.73 0.55 0.00 -1.01 0.00 0.00 64.21 63.27 1jgn n SER 61 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1jgn h PRO 62 N 5.40 0.29 0.01 1.43 0.11 -1.86 0.29 132.00 137.68 1jgn h PRO 62 Ca 0.17 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1jgn h PRO 62 Cb 0.77 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1jgn h PRO 62 CO 0.67 0.19 -0.01 0.93 -0.21 0.00 0.00 178.00 179.58 1jgn h GLU 63 N 0.30 -0.01 0.11 1.05 5.08 -1.91 -3.07 114.58 116.13 1jgn h GLU 63 Ca 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1jgn h GLU 63 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1jgn h GLU 63 CO -0.06 0.77 -0.05 0.77 -1.00 0.00 0.00 179.01 179.44 1jgn h SER 64 N -0.94 -0.13 0.75 1.42 0.02 -1.87 -3.04 113.55 109.76 1jgn h SER 64 Ca -0.00 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 1jgn h SER 64 Cb 0.80 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 1jgn h SER 64 CO 0.00 0.32 -0.47 0.25 -1.14 0.00 0.00 176.83 175.79 1jgn h LEU 65 N -0.61 -1.21 -1.68 5.07 7.12 -0.62 -1.82 115.31 121.56 1jgn h LEU 65 Ca -0.02 0.07 0.27 0.00 0.13 0.00 0.00 57.88 58.33 1jgn h LEU 65 Cb 0.48 0.36 -0.06 0.00 -0.53 0.00 0.00 40.66 40.90 1jgn h LEU 65 CO 0.03 -0.72 0.68 -0.09 -0.13 0.00 0.00 178.44 178.20 1jgn h ARG 66 N -1.15 0.21 -0.44 1.25 1.12 -1.66 0.67 114.38 114.37 1jgn h ARG 66 Ca -0.10 -0.01 -0.13 0.00 -1.11 0.00 0.00 59.98 58.63 1jgn h ARG 66 Cb 0.93 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.83 1jgn h ARG 66 CO 0.09 0.14 -0.24 1.03 -3.11 0.00 0.00 179.97 177.88 1jgn h SER 67 N 0.22 0.94 0.66 -3.80 0.87 -1.32 0.16 113.55 111.28 1jgn h SER 67 Ca 0.52 -0.36 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1jgn h SER 67 Cb 1.63 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 63.34 1jgn h SER 67 CO -0.14 1.13 -0.31 0.50 -0.53 0.00 0.00 176.83 177.48 1jgn h LYS 68 N 0.79 -0.85 0.00 2.24 3.64 0.11 -2.82 116.57 119.68 1jgn h LYS 68 Ca 0.10 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1jgn h LYS 68 Cb 0.80 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1jgn h LYS 68 CO 0.07 -0.54 0.00 0.28 -2.27 0.00 0.00 179.45 176.99 1jgn h VAL 69 N -1.18 0.00 -0.35 2.00 2.07 -1.10 -1.61 116.25 116.08 1jgn h VAL 69 Ca -0.09 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.37 1jgn h VAL 69 Cb 0.70 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1jgn h VAL 69 CO 0.15 0.00 0.02 -0.78 0.02 0.00 0.00 177.57 176.98 1jgn h ASP 70 N 0.00 -0.10 0.58 0.57 3.58 -0.41 0.33 116.42 120.98 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 0.12 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1jgn h ASP 70 CO 0.00 -0.01 -0.30 -0.08 -2.88 0.00 0.00 179.24 175.96 1jgn h GLU 71 N 0.12 0.00 -0.23 0.28 4.81 -1.27 -3.02 114.58 115.27 1jgn h GLU 71 Ca 0.17 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1jgn h GLU 71 Cb 0.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1jgn h GLU 71 CO -0.26 0.30 0.08 0.00 -0.73 0.00 0.00 179.01 178.40 1jgn h ALA 72 N 1.70 0.29 0.00 2.92 0.00 -0.23 -0.77 119.26 123.17 1jgn h ALA 72 Ca -0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1jgn h ALA 72 Cb 0.68 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1jgn h ALA 72 CO 0.04 -0.09 -0.00 -0.39 0.00 0.00 0.00 179.25 178.80 1jgn h VAL 73 N 0.20 0.89 -0.35 0.00 -1.51 -0.60 -1.30 116.25 113.59 1jgn h VAL 73 Ca 0.07 -0.01 -0.17 0.00 -1.23 0.00 0.00 66.70 65.36 1jgn h VAL 73 Cb 0.21 1.01 -0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1jgn h VAL 73 CO -0.00 0.00 -0.45 0.00 -1.23 0.00 0.00 177.57 175.89 1jgn h ALA 74 N 2.00 0.52 -0.75 5.19 0.00 -1.26 -2.29 119.26 122.66 1jgn h ALA 74 Ca -0.00 -0.48 0.11 0.00 0.00 0.00 0.00 54.91 54.55 1jgn h ALA 74 Cb 0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1jgn h ALA 74 CO 0.00 0.67 0.49 -0.39 0.00 0.00 0.00 179.25 180.02 1jgn h VAL 75 N 0.72 0.89 -0.11 0.00 -1.51 0.03 0.03 116.25 116.30 1jgn h VAL 75 Ca 0.04 -0.20 -0.04 0.00 -1.23 0.00 0.00 66.70 65.27 1jgn h VAL 75 Cb 1.05 0.26 -0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1jgn h VAL 75 CO 0.11 0.11 -0.09 0.25 -1.23 0.00 0.00 177.57 176.71 1jgn h LEU 76 N 0.58 0.28 -1.35 4.19 7.12 -1.34 0.11 115.31 124.90 1jgn h LEU 76 Ca 0.35 -0.46 0.19 0.00 0.13 0.00 0.00 57.88 58.10 1jgn h LEU 76 Cb 0.58 -0.08 -0.08 0.00 -0.53 0.00 0.00 40.66 40.56 1jgn h LEU 76 CO -0.13 0.68 0.60 1.56 -0.13 0.00 0.00 178.44 181.02 1jgn h GLN 77 N -0.12 0.52 0.00 1.25 1.08 -0.53 0.41 115.11 117.73 1jgn h GLN 77 Ca 0.02 -0.03 -0.16 0.00 -1.45 0.00 0.00 58.65 57.03 1jgn h GLN 77 Cb 0.59 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 1jgn h GLN 77 CO 0.02 0.35 -0.85 0.00 -0.95 0.00 0.00 178.83 177.41 1jgn h ALA 78 N 1.61 0.54 -0.41 3.87 0.00 -0.87 -3.26 119.26 120.74 1jgn h ALA 78 Ca 0.50 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1jgn h ALA 78 Cb 1.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1jgn h ALA 78 CO -0.23 0.96 0.12 1.25 0.00 0.00 0.00 179.25 181.35 1jgn h HIS 79 N 0.00 0.67 0.00 0.00 -0.00 0.24 -2.15 115.15 113.91 1jgn h HIS 79 Ca -0.03 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 1jgn h HIS 79 Cb 1.60 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.82 1jgn h HIS 79 CO 0.00 0.62 0.00 0.37 -0.00 0.00 0.00 177.93 178.92 1jgn h GLN 80 N 0.52 0.00 0.20 5.26 4.15 -1.16 -1.84 115.11 122.23 1jgn h GLN 80 Ca 0.13 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 1jgn h GLN 80 Cb 0.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1jgn h GLN 80 CO -0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 178.83 176.80 1jgn h ALA 81 N 2.01 -0.57 0.00 3.38 0.00 -1.43 -1.27 119.26 121.38 1jgn h ALA 81 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jgn h ALA 81 Cb 0.33 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1jgn h ALA 81 CO 0.00 -0.55 0.00 0.87 0.00 0.00 0.00 179.25 179.57 1jgn h LYS 82 N -0.47 0.00 0.01 0.00 1.57 -1.53 -0.50 116.57 115.64 1jgn h LYS 82 Ca -0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1jgn h LYS 82 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1jgn h LYS 82 CO 0.05 0.00 -0.09 1.49 -0.57 0.00 0.00 179.45 180.33 1jgn h GLU 83 N 0.00 0.04 0.00 3.15 4.81 -1.37 -3.30 114.58 117.91 1jgn h GLU 83 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1jgn h GLU 83 Cb 0.23 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1jgn h GLU 83 CO 0.00 0.94 0.00 0.00 -0.73 0.00 0.00 179.01 179.22 1jgn n ALA 84 N -2.57 2.29 1.35 2.92 0.00 -0.48 -3.15 120.51 120.86 1jgn n ALA 84 Ca -0.10 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.28 1jgn n ALA 84 Cb 0.48 -1.46 0.07 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.56 2.53 -1.91 0.00 0.00 -0.22 -4.88 120.51 114.47 1jgn n ALA 85 Ca 0.07 -0.29 -0.30 0.00 0.00 0.00 0.00 53.44 52.92 1jgn n ALA 85 Cb 0.35 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.84 1jgn n ALA 85 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1jgn s GLN 86 N -1.71 3.05 0.55 0.00 -2.07 -1.19 -5.03 119.66 113.26 1jgn s GLN 86 Ca 0.10 0.47 -0.06 0.00 -1.82 0.00 0.00 55.36 54.05 1jgn s GLN 86 Cb 0.06 -2.07 0.12 0.00 -1.09 0.00 0.00 33.01 30.03 1jgn s GLN 86 CO 0.06 -0.87 0.75 1.63 -1.32 0.00 0.00 175.29 175.54 1jgn n LYS 87 N -2.88 -0.40 -0.05 9.60 5.02 -1.26 -4.96 118.16 123.23 1jgn n LYS 87 Ca 0.06 -1.48 0.05 0.00 -2.02 0.00 0.00 58.31 54.93 1jgn n LYS 87 Cb 0.56 -0.67 0.24 0.00 -0.02 0.00 0.00 35.03 35.14 1jgn n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jgn n ALA 88 N -3.29 2.52 -1.75 7.82 0.00 -1.26 -4.87 120.51 119.69 1jgn n ALA 88 Ca -0.12 -0.24 -0.40 0.00 0.00 0.00 0.00 53.44 52.68 1jgn n ALA 88 Cb 0.37 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 1jgn n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jgn s VAL 89 N -1.87 3.80 -1.06 0.00 1.01 -1.26 -4.97 120.40 116.05 1jgn s VAL 89 Ca 0.17 1.81 -0.19 0.00 0.00 0.00 0.00 61.98 63.78 1jgn s VAL 89 Cb 0.09 -4.15 0.11 0.00 0.00 0.00 0.00 36.38 32.42 1jgn s VAL 89 CO 0.13 0.43 1.36 0.21 0.00 0.00 0.00 175.10 177.23 1jgn s ASN 90 N -1.05 6.71 1.00 3.32 3.84 -1.26 -5.00 114.94 122.50 1jgn s ASN 90 Ca 0.43 -2.14 -0.15 0.00 0.21 0.00 0.00 52.86 51.21 1jgn s ASN 90 Cb -0.29 -2.47 0.20 0.00 -0.55 0.00 0.00 41.25 38.14 1jgn s ASN 90 CO 0.36 -1.13 1.19 -1.20 -2.79 0.00 0.00 177.10 173.52 1jgn n SER 91 N 7.24 0.09 -4.56 -4.21 7.64 -1.26 -4.92 113.62 113.65 1jgn n SER 91 Ca 0.32 -1.43 -0.38 0.00 1.01 0.00 0.00 58.87 58.39 1jgn n SER 91 Cb 0.48 -0.91 -0.03 0.00 -1.01 0.00 0.00 64.21 62.74 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 -3.97 2.07 -0.19 -0.43 0.00 -1.26 -4.78 121.76 113.20 1jgn s ALA 92 Ca 0.67 -0.25 0.16 0.00 0.00 0.00 0.00 51.96 52.54 1jgn s ALA 92 Cb -0.02 -4.28 0.55 0.00 0.00 0.00 0.00 23.12 19.37 1jgn s ALA 92 CO 0.47 -3.92 1.45 -2.37 0.00 0.00 0.00 175.76 171.40 1jgn n THR 93 N 7.54 2.35 0.00 0.00 5.66 -1.26 -4.97 114.28 123.60 1jgn n THR 93 Ca 0.27 -1.91 0.00 0.00 -3.05 0.00 0.00 64.05 59.36 1jgn n THR 93 Cb 0.52 -0.27 0.00 0.00 -1.55 0.00 0.00 70.33 69.04 1jgn n THR 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1jgn n GLY 94 N -0.49 2.12 3.73 1.09 0.00 -1.26 -5.07 105.19 105.31 1jgn n GLY 94 Ca 0.23 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 1jgn n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jgn s VAL 95 N 4.67 4.88 0.73 1.61 0.11 -1.26 -5.07 120.40 126.07 1jgn s VAL 95 Ca 0.00 1.62 -0.12 0.00 -2.93 0.00 0.00 61.98 60.55 1jgn s VAL 95 Cb 0.00 -4.12 0.18 0.00 -1.53 0.00 0.00 36.38 30.92 1jgn s VAL 95 CO 0.00 0.29 0.61 -0.81 -3.33 0.00 0.00 175.10 171.86 1jgn n PRO 96 N 3.36 -2.44 -2.67 1.54 -0.04 -1.26 -4.90 135.00 128.58 1jgn n PRO 96 Ca -0.01 -0.99 -0.42 0.00 -0.04 0.00 0.00 63.50 62.04 1jgn n PRO 96 Cb 0.51 -0.97 -0.02 0.00 -0.04 0.00 0.00 33.50 32.98 1jgn n PRO 96 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1jgn s THR 97 N -2.08 4.21 0.00 0.52 -1.32 -1.26 -5.25 115.64 110.46 1jgn s THR 97 Ca 0.41 -1.25 0.00 0.00 -1.21 0.00 0.00 61.69 59.64 1jgn s THR 97 Cb -0.04 -5.01 0.00 0.00 -1.51 0.00 0.00 72.50 65.94 1jgn s THR 97 CO 0.32 -1.83 0.21 1.33 -2.21 0.00 0.00 174.62 172.44