#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 1.93 -0.12 1.61 0.02 -1.26 -5.14 135.00 132.04 1jgn s PRO 2 Ca 0.00 0.61 -0.08 0.00 0.02 0.00 0.00 61.00 61.55 1jgn s PRO 2 Cb 0.00 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.56 1jgn s PRO 2 CO 0.00 -1.72 0.09 1.25 -0.33 0.00 0.00 177.00 176.29 1jgn h LEU 3 N -1.16 0.00 -6.60 -5.54 5.85 -2.11 -3.40 115.31 102.34 1jgn h LEU 3 Ca -0.48 -0.19 -0.76 0.00 0.84 0.00 0.00 57.88 57.30 1jgn h LEU 3 Cb 1.28 0.00 -0.31 0.00 0.37 0.00 0.00 40.66 41.99 1jgn h LEU 3 CO 0.59 0.71 0.47 0.61 -0.34 0.00 0.00 178.44 180.48 1jgn n GLY 4 N 1.69 5.25 3.66 3.75 0.00 -1.26 -5.02 105.19 113.26 1jgn n GLY 4 Ca -0.06 -2.69 -0.42 0.00 0.00 0.00 0.00 46.02 42.86 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 -1.97 6.95 -1.19 1.61 0.15 -1.26 -4.96 113.70 113.02 1jgn s SER 5 Ca 0.35 1.17 -0.23 0.00 0.70 0.00 0.00 55.95 57.94 1jgn s SER 5 Cb 0.10 -2.46 -0.09 0.00 -1.71 0.00 0.00 66.02 61.86 1jgn s SER 5 CO 0.04 -0.44 1.93 -0.81 1.20 0.00 0.00 173.24 175.16 1jgn n PRO 6 N 5.44 1.64 0.00 5.44 -0.04 -1.26 -4.82 135.00 141.40 1jgn n PRO 6 Ca 0.05 -2.49 0.00 0.00 -0.04 0.00 0.00 63.50 61.03 1jgn n PRO 6 Cb 0.48 -3.72 0.00 0.00 -0.04 0.00 0.00 33.50 30.22 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 14.21 0.00 0.00 1.53 4.77 -1.26 -4.97 117.00 131.29 1jgn n LEU 7 Ca 0.45 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.36 1jgn n LEU 7 Cb 0.46 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.42 1jgn n LEU 7 CO 0.68 0.00 -0.36 0.00 -1.33 0.00 0.00 177.39 176.39 1jgn h THR 8 N 0.00 1.00 -0.60 -5.08 1.03 -1.94 -3.08 112.91 104.25 1jgn h THR 8 Ca 0.00 -2.79 0.02 0.00 -0.01 0.00 0.00 66.41 63.62 1jgn h THR 8 Cb 0.00 2.48 -0.03 0.00 -1.07 0.00 0.00 68.15 69.53 1jgn h THR 8 CO 0.00 0.57 0.39 0.00 -0.01 0.00 0.00 175.52 176.47 1jgn h ALA 9 N 1.04 1.63 -0.09 0.00 0.00 -1.94 0.15 119.26 120.05 1jgn h ALA 9 Ca -0.22 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 1jgn h ALA 9 Cb 1.93 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1jgn h ALA 9 CO 0.09 0.32 -0.69 1.03 0.00 0.00 0.00 179.25 180.00 1jgn h SER 10 N 0.75 0.47 -0.61 0.00 0.87 -1.88 -3.03 113.55 110.12 1jgn h SER 10 Ca 0.23 -0.29 -0.06 0.00 -1.23 0.00 0.00 61.79 60.43 1jgn h SER 10 Cb -0.01 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 1jgn h SER 10 CO -0.06 1.02 0.15 0.24 -0.53 0.00 0.00 176.83 177.65 1jgn h MET 11 N 0.28 1.01 -0.29 2.24 2.86 -0.97 -1.32 114.93 118.74 1jgn h MET 11 Ca -0.02 -0.23 0.06 0.00 -2.06 0.00 0.00 59.70 57.45 1jgn h MET 11 Cb 1.25 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 32.70 1jgn h MET 11 CO 0.12 0.90 -0.15 -0.07 1.06 0.00 0.00 176.91 178.77 1jgn h LEU 12 N 0.96 -0.50 -1.50 1.22 3.38 -0.66 0.97 115.31 119.19 1jgn h LEU 12 Ca 0.20 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.24 1jgn h LEU 12 Cb 0.35 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1jgn h LEU 12 CO 0.00 -0.18 -0.25 0.00 0.09 0.00 0.00 178.44 178.09 1jgn h ALA 13 N 1.10 1.39 -0.55 1.53 0.00 -1.48 -2.59 119.26 118.67 1jgn h ALA 13 Ca 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1jgn h ALA 13 Cb 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1jgn h ALA 13 CO -0.36 0.32 0.03 0.45 0.00 0.00 0.00 179.25 179.69 1jgn n SER 14 N -3.97 5.42 -3.11 0.00 2.88 0.51 -4.55 113.62 110.80 1jgn n SER 14 Ca -0.02 -2.98 -0.20 0.00 -1.33 0.00 0.00 58.87 54.33 1jgn n SER 14 Cb 0.33 -0.68 -0.03 0.00 -0.75 0.00 0.00 64.21 63.08 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 0.38 2.77 -0.03 -1.46 0.00 0.31 -4.95 120.51 117.53 1jgn n ALA 15 Ca 0.28 -3.76 -0.09 0.00 0.00 0.00 0.00 53.44 49.88 1jgn n ALA 15 Cb 1.18 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 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 0.06 0.00 0.00 0.11 -1.80 -3.40 132.00 129.97 1jgn h PRO 16 Ca 0.11 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1jgn h PRO 16 Cb 0.84 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1jgn h PRO 16 CO 0.59 0.04 0.00 -0.35 -0.21 0.00 0.00 178.00 178.07 1jgn n PRO 17 N -5.13 0.46 -1.43 1.05 -0.04 -1.26 -4.77 135.00 123.88 1jgn n PRO 17 Ca -0.03 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.01 1jgn n PRO 17 Cb 0.10 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.52 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 -0.39 1.95 -0.16 0.54 6.02 -1.26 -4.47 117.38 119.62 1jgn n GLN 18 Ca 0.00 -2.15 0.09 0.00 -0.01 0.00 0.00 57.00 54.93 1jgn n GLN 18 Cb 0.00 -3.10 0.17 0.00 1.02 0.00 0.00 30.24 28.33 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 6.90 2.23 -0.06 -1.09 -0.58 -1.26 -4.69 120.64 122.10 1jgn n GLU 19 Ca 0.50 -2.05 -0.06 0.00 -0.42 0.00 0.00 57.16 55.13 1jgn n GLU 19 Cb 0.41 -1.41 -0.04 0.00 -0.57 0.00 0.00 31.44 29.82 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 3.59 -0.17 -0.21 3.49 3.07 -1.82 0.22 115.11 123.28 1jgn h GLN 20 Ca 0.00 0.01 0.06 0.00 0.09 0.00 0.00 58.65 58.81 1jgn h GLN 20 Cb 0.85 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.44 1jgn h GLN 20 CO 0.00 -0.11 0.26 1.57 0.09 0.00 0.00 178.83 180.63 1jgn h LYS 21 N -0.18 0.00 0.00 0.06 2.10 -1.81 0.14 116.57 116.89 1jgn h LYS 21 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1jgn h LYS 21 Cb 0.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 1jgn h LYS 21 CO -0.25 0.00 0.00 0.94 -2.00 0.00 0.00 179.45 178.14 1jgn n GLN 22 N -3.67 0.00 0.00 0.07 -0.06 0.58 -4.18 117.38 110.13 1jgn n GLN 22 Ca 0.02 0.13 0.00 0.00 -2.00 0.00 0.00 57.00 55.16 1jgn n GLN 22 Cb 0.38 -0.79 0.00 0.00 -4.06 0.00 0.00 30.24 25.77 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 -0.90 0.00 0.00 3.69 0.00 -0.04 -4.14 117.12 115.73 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 -0.09 0.09 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 -1.23 -4.82 117.00 114.13 1jgn n LEU 24 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1jgn n LEU 24 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1jgn n LEU 24 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1jgn n GLY 25 N -0.75 3.52 0.02 1.47 0.00 0.49 -1.12 105.19 108.83 1jgn n GLY 25 Ca 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.04 0.00 1.61 3.07 -1.85 -3.04 114.58 114.33 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 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1jgn h GLU 26 CO 0.00 -0.03 0.00 -2.13 -1.40 0.00 0.00 179.01 175.45 1jgn n ARG 27 N -2.46 0.00 0.00 2.33 3.00 -0.80 -4.91 116.66 113.83 1jgn n ARG 27 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1jgn n ARG 27 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.48 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 -0.27 -3.34 117.00 127.24 1jgn n LEU 28 Ca 0.00 0.49 0.05 0.00 -0.01 0.00 0.00 56.01 56.54 1jgn n LEU 28 Cb 0.49 0.00 0.12 0.00 -0.11 0.00 0.00 43.42 43.92 1jgn n LEU 28 CO 0.00 0.00 0.54 0.33 -1.51 0.00 0.00 177.39 176.75 1jgn n PHE 29 N -0.56 0.30 -0.34 -1.77 -0.00 -1.24 -0.73 117.46 113.12 1jgn n PHE 29 Ca 0.00 0.98 0.00 0.00 -0.00 0.00 0.00 57.45 58.44 1jgn n PHE 29 Cb 0.00 -0.98 0.14 0.00 -0.00 0.00 0.00 39.48 38.64 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 1.09 -0.09 -7.13 0.11 -1.84 1.36 132.00 125.49 1jgn h PRO 30 Ca 0.39 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.39 1jgn h PRO 30 Cb 0.62 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 1jgn h PRO 30 CO -0.83 0.72 -0.14 -0.07 -0.21 0.00 0.00 178.00 177.47 1jgn h LEU 31 N 1.12 0.28 -0.31 2.35 3.38 -0.93 -2.70 115.31 118.50 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 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jgn h LEU 31 CO -0.14 0.76 0.00 -0.38 0.09 0.00 0.00 178.44 178.76 1jgn n ILE 32 N -4.61 0.69 -0.27 1.22 5.41 -0.94 -2.56 119.36 118.31 1jgn n ILE 32 Ca -0.07 0.05 -0.05 0.00 1.00 0.00 0.00 62.75 63.67 1jgn n ILE 32 Cb 0.37 -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 1.02 -0.01 0.38 4.15 0.22 1.34 115.11 122.20 1jgn h GLN 33 Ca 0.00 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.23 1jgn h GLN 33 Cb 0.48 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1jgn h GLN 33 CO 0.00 0.75 -0.34 0.00 -1.93 0.00 0.00 178.83 177.31 1jgn h ALA 34 N 1.21 1.42 -0.83 3.38 0.00 -1.45 -1.86 119.26 121.12 1jgn h ALA 34 Ca 0.26 -0.32 -0.31 0.00 0.00 0.00 0.00 54.91 54.54 1jgn h ALA 34 Cb 0.02 -0.06 -0.19 0.00 0.00 0.00 0.00 17.79 17.57 1jgn h ALA 34 CO -0.04 0.44 0.39 -1.33 0.00 0.00 0.00 179.25 178.71 1jgn n MET 35 N -4.13 3.28 0.08 0.00 2.81 0.33 -4.60 117.12 114.89 1jgn n MET 35 Ca -0.02 -3.08 0.02 0.00 -1.81 0.00 0.00 57.70 52.81 1jgn n MET 35 Cb 0.38 -2.21 0.37 0.00 -0.71 0.00 0.00 33.22 31.06 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 2.16 0.34 -1.06 2.03 -0.00 0.25 -3.12 115.15 115.75 1jgn h HIS 36 Ca 0.39 -0.03 0.36 0.00 -0.00 0.00 0.00 60.37 61.08 1jgn h HIS 36 Cb 2.52 -0.10 -0.10 0.00 -0.00 0.00 0.00 27.41 29.73 1jgn h HIS 36 CO 1.40 0.40 0.69 -2.30 -0.00 0.00 0.00 177.93 178.12 1jgn n PRO 37 N -4.30 -0.02 0.00 5.12 -0.02 -1.26 -1.99 135.00 132.52 1jgn n PRO 37 Ca 0.00 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1jgn n PRO 37 Cb 0.24 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 -4.09 0.00 -2.69 3.45 -1.04 -1.18 -4.99 114.28 103.74 1jgn n THR 38 Ca 0.30 0.07 -0.05 0.00 -2.04 0.00 0.00 64.05 62.33 1jgn n THR 38 Cb 1.19 -0.18 0.09 0.00 -1.82 0.00 0.00 70.33 69.60 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 -0.19 -1.69 -0.28 -4.42 -0.00 -0.84 -5.01 117.00 104.56 1jgn n LEU 39 Ca 0.00 -2.34 0.26 0.00 -0.00 0.00 0.00 56.01 53.92 1jgn n LEU 39 Cb 0.00 0.80 0.60 0.00 -0.00 0.00 0.00 43.42 44.82 1jgn n LEU 39 CO 0.00 1.73 1.25 0.00 -0.00 0.00 0.00 177.39 180.37 1jgn h ALA 40 N 2.94 2.52 -0.14 1.96 0.00 -1.76 -2.49 119.26 122.30 1jgn h ALA 40 Ca -0.23 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1jgn h ALA 40 Cb 1.17 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1jgn h ALA 40 CO 0.00 -0.86 -0.38 0.78 0.00 0.00 0.00 179.25 178.79 1jgn h GLY 41 N 0.25 -0.60 1.33 0.00 0.00 -1.91 -1.78 103.07 100.35 1jgn h GLY 41 Ca 0.53 0.47 -0.28 0.00 0.00 0.00 0.00 47.33 48.05 1jgn h GLY 41 CO -0.16 -0.22 -1.18 1.70 0.00 0.00 0.00 176.54 176.67 1jgn h LYS 42 N -0.45 0.57 0.17 4.80 1.63 -1.89 -3.28 116.57 118.10 1jgn h LYS 42 Ca 0.09 -0.73 0.02 0.00 -0.85 0.00 0.00 60.65 59.17 1jgn h LYS 42 Cb 0.60 0.24 -0.04 0.00 -0.60 0.00 0.00 32.23 32.43 1jgn h LYS 42 CO -0.39 1.32 -0.35 0.82 -3.45 0.00 0.00 179.45 177.40 1jgn h ILE 43 N 0.26 0.27 -0.71 2.00 2.04 -1.36 -1.81 117.51 118.22 1jgn h ILE 43 Ca -0.16 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.85 1jgn h ILE 43 Cb 1.85 0.27 -0.12 0.00 -0.74 0.00 0.00 36.82 38.08 1jgn h ILE 43 CO 0.22 0.00 0.02 0.00 0.00 0.00 0.00 178.15 178.39 1jgn h THR 44 N -0.61 0.41 -0.02 -0.27 1.03 -1.46 -2.57 112.91 109.41 1jgn h THR 44 Ca 0.02 -0.04 0.01 0.00 -0.01 0.00 0.00 66.41 66.39 1jgn h THR 44 Cb 0.62 0.28 -0.03 0.00 -1.07 0.00 0.00 68.15 67.95 1jgn h THR 44 CO -0.17 0.02 -0.25 1.23 -0.01 0.00 0.00 175.52 176.34 1jgn h GLY 45 N 0.12 -1.30 0.00 2.99 0.00 -1.41 0.02 103.07 103.49 1jgn h GLY 45 Ca 0.38 0.65 0.00 0.00 0.00 0.00 0.00 47.33 48.36 1jgn h GLY 45 CO -0.60 -0.40 0.00 1.15 0.00 0.00 0.00 176.54 176.68 1jgn n MET 46 N -3.85 0.00 0.00 4.80 -0.00 -0.91 -2.04 117.12 115.12 1jgn n MET 46 Ca -0.03 0.58 0.02 0.00 -0.00 0.00 0.00 57.70 58.27 1jgn n MET 46 Cb 0.18 -1.44 0.12 0.00 -0.00 0.00 0.00 33.22 32.08 1jgn n MET 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1jgn n LEU 47 N -2.07 0.00 0.00 3.17 4.32 -1.05 -2.86 117.00 118.50 1jgn n LEU 47 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.04 1jgn n LEU 47 Cb 0.00 0.00 0.31 0.00 -1.62 0.00 0.00 43.42 42.11 1jgn n LEU 47 CO 0.00 0.00 0.56 -0.11 -1.22 0.00 0.00 177.39 176.62 1jgn n LEU 48 N -0.69 0.00 -0.59 2.23 0.00 -0.01 -1.77 117.00 116.17 1jgn n LEU 48 Ca 0.03 0.08 0.01 0.00 0.00 0.00 0.00 56.01 56.13 1jgn n LEU 48 Cb 0.01 -0.08 0.04 0.00 0.00 0.00 0.00 43.42 43.40 1jgn n LEU 48 CO 0.02 -0.05 0.33 -0.62 0.00 0.00 0.00 177.39 177.07 1jgn n GLU 49 N -1.08 1.37 -2.07 1.96 -0.58 -1.13 -4.74 120.64 114.38 1jgn n GLU 49 Ca 0.07 -0.31 -0.29 0.00 -0.42 0.00 0.00 57.16 56.21 1jgn n GLU 49 Cb 0.05 -1.53 0.04 0.00 -0.57 0.00 0.00 31.44 29.43 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 -1.24 3.42 0.79 -3.67 2.07 -0.73 -5.05 121.20 116.78 1jgn s ILE 50 Ca 0.05 0.27 -0.11 0.00 -1.41 0.00 0.00 60.65 59.46 1jgn s ILE 50 Cb 0.04 -3.43 0.06 0.00 0.13 0.00 0.00 42.46 39.27 1jgn s ILE 50 CO 0.02 -0.52 1.09 -1.81 -1.91 0.00 0.00 174.94 171.81 1jgn s ASP 51 N -4.36 4.42 0.00 4.50 1.01 -1.26 -4.95 116.67 116.03 1jgn s ASP 51 Ca 0.57 1.74 0.10 0.00 0.71 0.00 0.00 52.55 55.67 1jgn s ASP 51 Cb -0.11 -2.45 -0.23 0.00 1.01 0.00 0.00 42.92 41.15 1jgn s ASP 51 CO 0.49 -2.08 0.84 0.78 0.21 0.00 0.00 175.17 175.41 1jgn h ASN 52 N -1.16 0.02 0.76 0.27 4.21 -1.97 -2.75 115.58 114.95 1jgn h ASN 52 Ca -0.45 -0.03 -0.13 0.00 1.21 0.00 0.00 56.30 56.91 1jgn h ASN 52 Cb 1.24 -0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 38.41 1jgn h ASN 52 CO 0.53 1.02 -0.63 -1.28 -1.29 0.00 0.00 177.43 175.78 1jgn h SER 53 N 0.00 0.00 1.06 5.81 0.87 -2.01 -3.02 113.55 116.26 1jgn h SER 53 Ca -0.21 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.16 1jgn h SER 53 Cb 1.95 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.88 1jgn h SER 53 CO 0.10 0.63 -0.91 -0.33 -0.53 0.00 0.00 176.83 175.78 1jgn h GLU 54 N 0.00 0.00 -0.39 2.24 5.08 -1.96 -3.15 114.58 116.40 1jgn h GLU 54 Ca -0.01 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1jgn h GLU 54 Cb 1.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1jgn h GLU 54 CO 0.08 0.91 0.22 1.37 -1.00 0.00 0.00 179.01 180.59 1jgn h LEU 55 N 0.00 0.36 -0.69 1.33 8.10 -1.35 0.67 115.31 123.72 1jgn h LEU 55 Ca -0.01 0.01 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 1jgn h LEU 55 Cb 1.68 -0.07 -0.03 0.00 -0.44 0.00 0.00 40.66 41.80 1jgn h LEU 55 CO 0.12 0.26 0.32 0.25 -4.11 0.00 0.00 178.44 175.27 1jgn h LEU 56 N 0.45 0.92 -1.44 0.17 7.12 -1.61 -1.08 115.31 119.85 1jgn h LEU 56 Ca 0.16 -0.14 -0.01 0.00 0.13 0.00 0.00 57.88 58.02 1jgn h LEU 56 Cb 0.02 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 39.89 1jgn h LEU 56 CO -0.08 0.81 0.26 0.45 -0.13 0.00 0.00 178.44 179.76 1jgn h HIS 57 N 0.97 0.63 -0.29 1.25 3.86 -1.33 -0.16 115.15 120.08 1jgn h HIS 57 Ca 0.24 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.35 1jgn h HIS 57 Cb 0.14 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1jgn h HIS 57 CO 0.01 0.44 -0.19 0.52 0.86 0.00 0.00 177.93 179.57 1jgn h MET 58 N 0.65 0.64 0.00 2.45 2.86 -0.14 -0.16 114.93 121.24 1jgn h MET 58 Ca 0.17 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1jgn h MET 58 Cb 0.01 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1jgn h MET 58 CO -0.03 0.89 0.00 1.25 1.06 0.00 0.00 176.91 180.08 1jgn h LEU 59 N 0.38 0.00 -0.38 1.22 5.85 -0.55 -2.07 115.31 119.77 1jgn h LEU 59 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1jgn h LEU 59 Cb 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1jgn h LEU 59 CO 0.05 0.00 -0.69 -1.84 -0.34 0.00 0.00 178.44 175.62 1jgn n GLU 60 N -2.31 1.10 -3.81 1.25 0.28 -0.13 -4.74 120.64 112.27 1jgn n GLU 60 Ca 0.02 -0.36 -0.30 0.00 -0.16 0.00 0.00 57.16 56.36 1jgn n GLU 60 Cb 0.23 -1.38 -0.13 0.00 1.43 0.00 0.00 31.44 31.59 1jgn n GLU 60 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1jgn s SER 61 N -2.54 3.93 0.41 -1.84 0.15 -0.11 -4.96 113.70 108.75 1jgn s SER 61 Ca 0.11 -2.87 0.09 0.00 0.70 0.00 0.00 55.95 53.97 1jgn s SER 61 Cb 0.15 -1.29 0.87 0.00 -1.71 0.00 0.00 66.02 64.04 1jgn s SER 61 CO 0.66 -0.24 2.01 1.55 1.20 0.00 0.00 173.24 178.42 1jgn h PRO 62 N 6.52 0.37 0.02 5.44 0.13 -1.85 0.18 132.00 142.81 1jgn h PRO 62 Ca -0.02 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.02 1jgn h PRO 62 Cb 0.90 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1jgn h PRO 62 CO 0.58 0.33 -0.20 0.93 -0.23 0.00 0.00 178.00 179.40 1jgn h GLU 63 N 0.37 0.10 0.12 0.86 5.08 -1.92 -2.94 114.58 116.25 1jgn h GLU 63 Ca 0.09 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1jgn h GLU 63 Cb 0.12 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1jgn h GLU 63 CO -0.01 0.98 -0.06 0.77 -1.00 0.00 0.00 179.01 179.70 1jgn h SER 64 N -0.72 -0.13 0.63 1.42 0.02 -1.91 -2.89 113.55 109.97 1jgn h SER 64 Ca -0.03 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 1jgn h SER 64 Cb 1.07 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 1jgn h SER 64 CO 0.04 0.32 -0.40 0.25 -1.14 0.00 0.00 176.83 175.91 1jgn h LEU 65 N -0.63 -1.00 -1.62 5.07 7.12 -0.82 0.06 115.31 123.49 1jgn h LEU 65 Ca -0.02 0.06 0.21 0.00 0.13 0.00 0.00 57.88 58.27 1jgn h LEU 65 Cb 0.49 0.30 -0.06 0.00 -0.53 0.00 0.00 40.66 40.85 1jgn h LEU 65 CO 0.03 -0.61 0.60 -0.09 -0.13 0.00 0.00 178.44 178.24 1jgn h ARG 66 N -0.97 0.30 -0.23 1.25 2.43 -1.64 0.75 114.38 116.27 1jgn h ARG 66 Ca -0.08 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.94 1jgn h ARG 66 Cb 0.79 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1jgn h ARG 66 CO 0.07 0.20 -0.42 0.77 -1.51 0.00 0.00 179.97 179.08 1jgn h SER 67 N 0.31 0.60 0.48 -3.80 0.02 -1.18 0.35 113.55 110.33 1jgn h SER 67 Ca 0.46 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1jgn h SER 67 Cb 1.28 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1jgn h SER 67 CO -0.14 0.95 -0.23 0.50 -1.14 0.00 0.00 176.83 176.77 1jgn h LYS 68 N 0.46 -0.62 0.00 3.45 3.64 0.24 -2.77 116.57 120.97 1jgn h LYS 68 Ca 0.04 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1jgn h LYS 68 Cb 0.93 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1jgn h LYS 68 CO 0.08 -0.32 0.00 0.28 -2.27 0.00 0.00 179.45 177.22 1jgn h VAL 69 N -0.95 0.00 -0.17 2.00 2.07 -0.80 -2.48 116.25 115.92 1jgn h VAL 69 Ca -0.07 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1jgn h VAL 69 Cb 0.59 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1jgn h VAL 69 CO 0.11 0.00 0.01 -0.78 0.02 0.00 0.00 177.57 176.93 1jgn h ASP 70 N 0.00 -0.04 0.56 0.57 3.58 0.00 0.15 116.42 121.24 1jgn h ASP 70 Ca 0.00 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 1jgn h ASP 70 Cb 0.29 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1jgn h ASP 70 CO 0.00 0.00 -0.27 -0.08 -2.88 0.00 0.00 179.24 176.01 1jgn h GLU 71 N 0.07 0.00 -0.54 0.28 4.81 -1.41 -2.89 114.58 114.90 1jgn h GLU 71 Ca 0.08 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1jgn h GLU 71 Cb 0.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1jgn h GLU 71 CO -0.13 0.27 0.26 0.00 -0.73 0.00 0.00 179.01 178.68 1jgn h ALA 72 N 1.73 0.70 -0.05 2.92 0.00 -0.65 -0.97 119.26 122.95 1jgn h ALA 72 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1jgn h ALA 72 Cb 0.63 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1jgn h ALA 72 CO 0.04 0.27 -0.11 -0.39 0.00 0.00 0.00 179.25 179.06 1jgn h VAL 73 N 0.73 1.11 -0.29 0.00 -1.51 -0.68 -1.78 116.25 113.83 1jgn h VAL 73 Ca 0.19 -0.48 -0.13 0.00 -1.23 0.00 0.00 66.70 65.05 1jgn h VAL 73 Cb 0.12 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.46 1jgn h VAL 73 CO -0.02 0.14 -0.35 0.00 -1.23 0.00 0.00 177.57 176.11 1jgn h ALA 74 N 1.83 0.84 -0.23 5.19 0.00 -1.23 -2.45 119.26 123.21 1jgn h ALA 74 Ca 0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1jgn h ALA 74 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1jgn h ALA 74 CO 0.01 0.64 0.14 -0.39 0.00 0.00 0.00 179.25 179.65 1jgn h VAL 75 N 0.54 1.07 -0.05 0.00 -1.51 -0.31 -0.85 116.25 115.13 1jgn h VAL 75 Ca 0.06 -0.14 -0.04 0.00 -1.23 0.00 0.00 66.70 65.34 1jgn h VAL 75 Cb 0.86 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1jgn h VAL 75 CO 0.07 0.07 -0.12 0.25 -1.23 0.00 0.00 177.57 176.61 1jgn h LEU 76 N 0.31 0.20 -1.31 4.19 7.12 -1.34 -1.40 115.31 123.09 1jgn h LEU 76 Ca 0.08 -0.58 0.10 0.00 0.13 0.00 0.00 57.88 57.62 1jgn h LEU 76 Cb -0.02 -0.06 -0.06 0.00 -0.53 0.00 0.00 40.66 40.00 1jgn h LEU 76 CO -0.02 0.75 0.54 1.56 -0.13 0.00 0.00 178.44 181.14 1jgn h GLN 77 N -0.33 0.73 0.00 1.25 1.08 -0.95 0.15 115.11 117.04 1jgn h GLN 77 Ca -0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1jgn h GLN 77 Cb 0.72 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1jgn h GLN 77 CO 0.03 0.49 -0.12 0.00 -0.95 0.00 0.00 178.83 178.28 1jgn h ALA 78 N 1.59 0.93 0.35 3.87 0.00 -1.14 -3.34 119.26 121.50 1jgn h ALA 78 Ca 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1jgn h ALA 78 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jgn h ALA 78 CO -0.16 0.00 -0.17 1.25 0.00 0.00 0.00 179.25 180.18 1jgn h HIS 79 N 0.00 -0.43 0.00 0.00 6.17 0.46 -2.76 115.15 118.59 1jgn h HIS 79 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1jgn h HIS 79 Cb 0.78 0.14 0.00 0.00 2.52 0.00 0.00 27.41 30.85 1jgn h HIS 79 CO 0.00 -0.14 0.00 1.04 0.71 0.00 0.00 177.93 179.54 1jgn n GLN 80 N -5.19 0.01 0.07 5.26 3.00 -1.17 -2.30 117.38 117.06 1jgn n GLN 80 Ca -0.10 0.44 -0.03 0.00 -0.01 0.00 0.00 57.00 57.30 1jgn n GLN 80 Cb 0.26 -1.53 -0.01 0.00 0.00 0.00 0.00 30.24 28.96 1jgn n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jgn h ALA 81 N 2.13 -1.04 0.00 -1.58 0.00 -1.64 -0.32 119.26 116.82 1jgn h ALA 81 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jgn h ALA 81 Cb 0.07 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jgn h ALA 81 CO 0.00 -1.03 0.00 0.36 0.00 0.00 0.00 179.25 178.58 1jgn n LYS 82 N -2.49 0.13 0.04 0.00 0.00 -1.20 -2.90 118.16 111.74 1jgn n LYS 82 Ca -0.02 0.12 0.13 0.00 -0.00 0.00 0.00 58.31 58.53 1jgn n LYS 82 Cb 0.07 -1.65 0.35 0.00 -0.00 0.00 0.00 35.03 33.80 1jgn n LYS 82 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1jgn n GLU 83 N -1.87 0.15 0.28 -1.58 4.07 -0.97 -3.61 120.64 117.11 1jgn n GLU 83 Ca 0.06 0.08 0.16 0.00 -0.06 0.00 0.00 57.16 57.39 1jgn n GLU 83 Cb 0.37 -1.63 0.83 0.00 -0.06 0.00 0.00 31.44 30.96 1jgn n GLU 83 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jgn h ALA 84 N 2.74 1.19 0.00 4.31 0.00 -0.91 -1.24 119.26 125.35 1jgn h ALA 84 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jgn h ALA 84 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1jgn h ALA 84 CO 0.00 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1jgn n ALA 85 N -2.21 1.82 -0.10 0.00 0.00 -1.24 -3.27 120.51 115.52 1jgn n ALA 85 Ca -0.02 -0.03 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 1jgn n ALA 85 Cb 0.21 -1.32 -0.12 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.69 0.59 -3.13 0.00 7.27 -0.47 -4.81 117.38 115.14 1jgn n GLN 86 Ca 0.04 0.49 -0.43 0.00 0.07 0.00 0.00 57.00 57.17 1jgn n GLN 86 Cb 0.23 -1.71 -0.07 0.00 2.41 0.00 0.00 30.24 31.10 1jgn n GLN 86 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1jgn s LYS 87 N -2.41 3.25 -1.11 3.69 2.20 -1.20 -5.00 119.74 119.16 1jgn s LYS 87 Ca -0.29 -0.44 -0.18 0.00 -0.36 0.00 0.00 55.97 54.70 1jgn s LYS 87 Cb 0.07 -3.96 0.11 0.00 -1.51 0.00 0.00 37.83 32.54 1jgn s LYS 87 CO 0.60 -1.00 1.43 0.00 -0.36 0.00 0.00 175.35 176.02 1jgn s ALA 88 N 2.74 3.39 0.44 3.13 0.00 -1.26 -4.86 121.76 125.33 1jgn s ALA 88 Ca 0.21 -2.85 0.02 0.00 0.00 0.00 0.00 51.96 49.34 1jgn s ALA 88 Cb -0.15 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 18.66 1jgn s ALA 88 CO 0.18 -3.14 0.64 0.14 0.00 0.00 0.00 175.76 173.58 1jgn s VAL 89 N 3.25 3.77 -0.43 0.00 -7.23 -1.26 -5.01 120.40 113.49 1jgn s VAL 89 Ca 0.43 -0.66 0.23 0.00 -1.81 0.00 0.00 61.98 60.18 1jgn s VAL 89 Cb -0.01 -3.37 0.34 0.00 0.56 0.00 0.00 36.38 33.90 1jgn s VAL 89 CO -0.03 -0.23 1.61 -1.13 -0.31 0.00 0.00 175.10 175.02 1jgn h ASN 90 N 0.47 0.00 -1.62 4.85 -1.24 -2.04 -3.34 115.58 112.67 1jgn h ASN 90 Ca -0.45 0.00 -0.73 0.00 0.71 0.00 0.00 56.30 55.83 1jgn h ASN 90 Cb 1.26 0.00 -0.20 0.00 0.73 0.00 0.00 38.32 40.11 1jgn h ASN 90 CO 0.55 0.01 1.49 -0.24 -1.29 0.00 0.00 177.43 177.94 1jgn n SER 91 N -3.10 7.53 -1.69 1.15 2.88 -1.26 -4.68 113.62 114.45 1jgn n SER 91 Ca 0.04 -3.42 -0.12 0.00 -1.33 0.00 0.00 58.87 54.03 1jgn n SER 91 Cb 0.53 -1.24 0.12 0.00 -0.75 0.00 0.00 64.21 62.87 1jgn n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jgn n ALA 92 N 0.71 4.23 0.78 -1.46 0.00 -1.25 -4.04 120.51 119.48 1jgn n ALA 92 Ca 0.54 -1.65 0.12 0.00 0.00 0.00 0.00 53.44 52.45 1jgn n ALA 92 Cb 0.29 -1.25 0.24 0.00 0.00 0.00 0.00 19.45 18.74 1jgn n ALA 92 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1jgn n THR 93 N -0.39 0.26 0.13 0.00 -1.04 -1.26 -4.25 114.28 107.72 1jgn n THR 93 Ca 0.33 -0.56 -0.24 0.00 -2.04 0.00 0.00 64.05 61.55 1jgn n THR 93 Cb 1.16 0.98 -0.16 0.00 -1.82 0.00 0.00 70.33 70.49 1jgn n THR 93 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1jgn h GLY 94 N 4.70 0.56 -3.03 3.41 0.00 -2.00 -3.46 103.07 103.26 1jgn h GLY 94 Ca 0.00 -1.43 -0.51 0.00 0.00 0.00 0.00 47.33 45.39 1jgn h GLY 94 CO 0.00 1.25 0.02 -1.34 0.00 0.00 0.00 176.54 176.48 1jgn s VAL 95 N -2.60 4.79 0.69 4.60 -7.23 -1.26 -4.17 120.40 115.22 1jgn s VAL 95 Ca -0.11 0.69 -0.13 0.00 -1.81 0.00 0.00 61.98 60.63 1jgn s VAL 95 Cb 0.05 -3.64 0.01 0.00 0.56 0.00 0.00 36.38 33.35 1jgn s VAL 95 CO 0.92 -0.23 1.08 -2.84 -0.31 0.00 0.00 175.10 173.72 1jgn s PRO 96 N -3.14 2.81 0.45 4.82 0.02 -1.26 -5.08 135.00 133.61 1jgn s PRO 96 Ca 0.51 1.16 -0.20 0.00 0.02 0.00 0.00 61.00 62.49 1jgn s PRO 96 Cb -0.11 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.35 1jgn s PRO 96 CO 0.22 -1.22 0.96 0.95 -0.33 0.00 0.00 177.00 177.58 1jgn s THR 97 N -2.72 4.39 -0.98 0.99 -4.23 -1.26 -5.17 115.64 106.67 1jgn s THR 97 Ca 0.62 1.43 0.08 0.00 -1.18 0.00 0.00 61.69 62.64 1jgn s THR 97 Cb -0.17 -3.62 0.06 0.00 1.34 0.00 0.00 72.50 70.12 1jgn s THR 97 CO 0.48 -0.38 0.75 1.33 -0.54 0.00 0.00 174.62 176.26