#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgn n PRO 2 N 0.00 0.78 -2.92 1.61 -0.02 -1.26 -4.91 135.00 128.29 1jgn n PRO 2 Ca 0.00 -0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 60.63 1jgn n PRO 2 Cb 0.00 -3.54 -0.05 0.00 -0.02 0.00 0.00 33.50 29.89 1jgn n PRO 2 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jgn s LEU 3 N 13.46 4.09 -0.59 2.45 0.20 -1.26 -5.00 118.68 132.03 1jgn s LEU 3 Ca 0.96 0.54 -0.28 0.00 0.69 0.00 0.00 54.13 56.04 1jgn s LEU 3 Cb -0.17 -3.10 0.02 0.00 -0.43 0.00 0.00 46.19 42.51 1jgn s LEU 3 CO 0.18 -0.71 1.38 -0.83 -0.29 0.00 0.00 176.35 176.07 1jgn s GLY 4 N 1.75 0.91 -0.44 7.98 0.00 -1.26 -4.98 107.32 111.28 1jgn s GLY 4 Ca 0.33 -0.78 -0.28 0.00 0.00 0.00 0.00 44.72 43.99 1jgn s GLY 4 CO 0.15 2.75 1.06 -0.56 0.00 0.00 0.00 173.10 176.51 1jgn s SER 5 N 4.22 6.65 1.01 1.64 0.01 -1.26 -5.03 113.70 120.93 1jgn s SER 5 Ca 0.49 0.48 -0.01 0.00 1.31 0.00 0.00 55.95 58.22 1jgn s SER 5 Cb -0.10 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.63 1jgn s SER 5 CO 0.24 -1.12 0.04 -0.81 0.41 0.00 0.00 173.24 172.00 1jgn n PRO 6 N 7.45 -1.55 0.00 12.44 -0.04 -1.26 -4.97 135.00 147.07 1jgn n PRO 6 Ca 0.10 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1jgn n PRO 6 Cb 0.49 -0.06 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 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 0.00 1.07 0.00 1.53 4.77 -1.26 -4.29 117.00 118.83 1jgn n LEU 7 Ca 0.01 0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.93 1jgn n LEU 7 Cb 0.02 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 40.88 1jgn n LEU 7 CO 0.01 -0.09 -0.41 0.00 -1.33 0.00 0.00 177.39 175.57 1jgn h THR 8 N 0.00 1.01 -0.69 -5.08 1.03 -1.96 -3.06 112.91 104.15 1jgn h THR 8 Ca 0.00 -2.81 0.03 0.00 -0.01 0.00 0.00 66.41 63.62 1jgn h THR 8 Cb 0.00 2.53 -0.04 0.00 -1.07 0.00 0.00 68.15 69.57 1jgn h THR 8 CO 0.00 0.63 0.46 0.00 -0.01 0.00 0.00 175.52 176.60 1jgn h ALA 9 N 0.88 1.58 -0.12 0.00 0.00 -1.92 0.19 119.26 119.87 1jgn h ALA 9 Ca -0.24 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 1jgn h ALA 9 Cb 1.97 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1jgn h ALA 9 CO 0.10 0.36 -0.57 1.03 0.00 0.00 0.00 179.25 180.17 1jgn h SER 10 N 0.86 0.41 -0.19 0.00 0.87 -1.74 -2.67 113.55 111.09 1jgn h SER 10 Ca 0.27 -0.23 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 1jgn h SER 10 Cb 0.01 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1jgn h SER 10 CO -0.07 0.89 -0.04 0.24 -0.53 0.00 0.00 176.83 177.33 1jgn h MET 11 N 0.28 0.50 -0.21 2.24 2.86 -0.83 -1.87 114.93 117.91 1jgn h MET 11 Ca 0.00 -0.11 0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1jgn h MET 11 Cb 1.08 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.61 1jgn h MET 11 CO 0.10 0.55 -0.21 -0.07 1.06 0.00 0.00 176.91 178.34 1jgn h LEU 12 N 0.48 -0.66 -1.70 1.22 4.07 -0.37 1.26 115.31 119.60 1jgn h LEU 12 Ca 0.10 0.12 -0.04 0.00 0.08 0.00 0.00 57.88 58.15 1jgn h LEU 12 Cb 0.37 0.31 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 1jgn h LEU 12 CO 0.01 -0.25 -0.17 0.00 -1.08 0.00 0.00 178.44 176.96 1jgn h ALA 13 N 0.84 1.27 -0.63 1.53 0.00 -1.46 -2.38 119.26 118.44 1jgn h ALA 13 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jgn h ALA 13 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1jgn h ALA 13 CO -0.34 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 177.99 1jgn n SER 14 N -3.69 4.34 -3.01 0.00 3.41 0.48 -4.53 113.62 110.62 1jgn n SER 14 Ca -0.02 -2.31 -0.19 0.00 -0.26 0.00 0.00 58.87 56.09 1jgn n SER 14 Cb 0.29 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.69 1jgn n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jgn n ALA 15 N 1.14 3.00 -0.02 7.33 0.00 0.40 -4.97 120.51 127.39 1jgn n ALA 15 Ca 0.24 -3.71 -0.10 0.00 0.00 0.00 0.00 53.44 49.88 1jgn n ALA 15 Cb 0.77 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 19.32 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 2.97 0.10 0.00 0.00 0.11 -1.80 -3.39 132.00 129.98 1jgn h PRO 16 Ca 0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1jgn h PRO 16 Cb 0.89 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1jgn h PRO 16 CO 0.59 0.06 0.00 -0.35 -0.21 0.00 0.00 178.00 178.10 1jgn n PRO 17 N -5.08 1.20 -1.10 1.05 -0.04 -1.26 -4.74 135.00 125.03 1jgn n PRO 17 Ca -0.04 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.08 1jgn n PRO 17 Cb 0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.50 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 0.00 2.26 -0.29 0.54 6.02 -1.26 -4.38 117.38 120.27 1jgn n GLN 18 Ca 0.00 -1.86 0.09 0.00 -0.01 0.00 0.00 57.00 55.22 1jgn n GLN 18 Cb 0.00 -2.78 0.25 0.00 1.02 0.00 0.00 30.24 28.74 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 5.28 2.78 -0.02 -1.09 4.07 -1.26 -4.70 120.64 125.69 1jgn n GLU 19 Ca 0.52 -2.41 -0.04 0.00 -0.06 0.00 0.00 57.16 55.17 1jgn n GLU 19 Cb 0.27 -1.45 -0.03 0.00 -0.06 0.00 0.00 31.44 30.17 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 3.40 -0.13 -0.05 5.31 3.07 -1.82 -0.16 115.11 124.73 1jgn h GLN 20 Ca 0.00 0.01 0.01 0.00 0.09 0.00 0.00 58.65 58.76 1jgn h GLN 20 Cb 0.89 0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.47 1jgn h GLN 20 CO 0.00 -0.08 0.22 1.57 0.09 0.00 0.00 178.83 180.63 1jgn h LYS 21 N -0.13 0.00 0.00 0.06 5.09 -1.82 0.12 116.57 119.89 1jgn h LYS 21 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.75 1jgn h LYS 21 Cb 0.17 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.50 1jgn h LYS 21 CO -0.14 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 178.16 1jgn n GLN 22 N -3.13 0.00 0.00 0.07 7.27 -0.15 -4.26 117.38 117.18 1jgn n GLN 22 Ca -0.01 0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1jgn n GLN 22 Cb 0.29 -0.75 0.00 0.00 2.41 0.00 0.00 30.24 32.20 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 -0.75 0.00 0.00 3.69 0.00 -0.74 -4.23 117.12 115.09 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 0.07 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 -4.78 117.00 114.16 1jgn n LEU 24 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1jgn n LEU 24 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1jgn n LEU 24 CO 0.00 -0.06 0.00 0.61 -0.00 0.00 0.00 177.39 177.94 1jgn n GLY 25 N -0.89 3.28 0.03 1.47 0.00 0.41 -0.99 105.19 108.49 1jgn n GLY 25 Ca 0.02 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.06 0.00 1.61 3.07 -1.87 -3.08 114.58 114.25 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 -0.04 -0.00 -2.13 -1.40 0.00 0.00 179.01 175.44 1jgn n ARG 27 N -2.71 0.00 0.00 2.33 3.00 -0.61 -4.89 116.66 113.78 1jgn n ARG 27 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1jgn n ARG 27 Cb 0.02 -0.01 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 -0.20 6.15 7.99 -0.16 -3.43 117.00 127.34 1jgn n LEU 28 Ca 0.00 0.26 0.02 0.00 -0.01 0.00 0.00 56.01 56.28 1jgn n LEU 28 Cb 0.50 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.87 1jgn n LEU 28 CO 0.00 0.00 0.36 0.33 -1.51 0.00 0.00 177.39 176.57 1jgn n PHE 29 N -0.30 0.15 -0.28 -1.77 -0.00 -1.25 -0.26 117.46 113.76 1jgn n PHE 29 Ca 0.00 0.68 0.01 0.00 -0.00 0.00 0.00 57.45 58.14 1jgn n PHE 29 Cb 0.00 -0.79 0.13 0.00 -0.00 0.00 0.00 39.48 38.82 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 0.79 -0.18 -7.13 0.11 -1.84 0.75 132.00 124.50 1jgn h PRO 30 Ca 0.25 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.20 1jgn h PRO 30 Cb 0.39 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1jgn h PRO 30 CO -0.57 0.52 -0.32 -0.07 -0.21 0.00 0.00 178.00 177.36 1jgn h LEU 31 N 0.82 0.59 -1.09 2.35 3.38 -0.65 -2.80 115.31 117.90 1jgn h LEU 31 Ca 0.35 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1jgn h LEU 31 Cb 0.23 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1jgn h LEU 31 CO -0.20 1.02 -0.04 0.40 0.09 0.00 0.00 178.44 179.71 1jgn h ILE 32 N 0.19 0.09 -0.12 1.22 2.04 -1.19 -1.75 117.51 117.98 1jgn h ILE 32 Ca 0.01 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1jgn h ILE 32 Cb 0.90 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 1jgn h ILE 32 CO 0.07 0.04 -0.07 -0.61 0.00 0.00 0.00 178.15 177.59 1jgn h GLN 33 N 0.00 0.18 0.00 2.37 5.75 0.78 0.22 115.11 124.40 1jgn h GLN 33 Ca -0.00 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1jgn h GLN 33 Cb 0.66 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.18 1jgn h GLN 33 CO 0.01 0.26 -0.01 0.00 -2.65 0.00 0.00 178.83 176.43 1jgn h ALA 34 N 1.76 0.99 -0.50 3.38 0.00 -1.17 -2.80 119.26 120.94 1jgn h ALA 34 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jgn h ALA 34 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jgn h ALA 34 CO 0.01 0.02 0.00 -1.33 0.00 0.00 0.00 179.25 177.95 1jgn n MET 35 N -3.10 2.49 -1.71 0.00 2.81 0.47 -4.95 117.12 113.13 1jgn n MET 35 Ca 0.03 -2.28 -0.30 0.00 -1.81 0.00 0.00 57.70 53.34 1jgn n MET 35 Cb 0.47 -1.51 0.06 0.00 -0.71 0.00 0.00 33.22 31.53 1jgn n MET 35 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 1jgn s HIS 36 N -1.35 3.13 -0.82 2.03 -0.00 0.40 -3.97 115.29 114.71 1jgn s HIS 36 Ca 0.41 1.17 -0.13 0.00 -0.00 0.00 0.00 55.06 56.51 1jgn s HIS 36 Cb 0.23 -3.03 0.22 0.00 -0.00 0.00 0.00 32.58 30.00 1jgn s HIS 36 CO 0.31 -1.37 0.75 -1.25 -0.00 0.00 0.00 174.74 173.18 1jgn s PRO 37 N -5.21 3.54 0.00 -0.38 0.04 -1.26 -5.05 135.00 126.68 1jgn s PRO 37 Ca 0.59 -2.47 0.00 0.00 0.04 0.00 0.00 61.00 59.15 1jgn s PRO 37 Cb -0.13 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 30.03 1jgn s PRO 37 CO 0.53 -1.28 0.00 2.41 0.04 0.00 0.00 177.00 178.70 1jgn n THR 38 N 3.93 0.00 -1.67 1.26 -1.04 -1.25 -4.99 114.28 110.52 1jgn n THR 38 Ca 0.13 0.48 -0.02 0.00 -2.04 0.00 0.00 64.05 62.60 1jgn n THR 38 Cb 0.46 -1.48 -0.02 0.00 -1.82 0.00 0.00 70.33 67.47 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 -2.44 -0.36 -0.25 -4.42 7.94 -1.26 -5.01 117.00 111.21 1jgn n LEU 39 Ca 0.00 -0.77 0.23 0.00 -1.11 0.00 0.00 56.01 54.37 1jgn n LEU 39 Cb 0.00 0.00 0.42 0.00 0.53 0.00 0.00 43.42 44.37 1jgn n LEU 39 CO 0.00 0.88 0.75 0.00 -1.11 0.00 0.00 177.39 177.92 1jgn n ALA 40 N 0.00 0.76 -0.03 1.96 0.00 -1.26 0.37 120.51 122.31 1jgn n ALA 40 Ca -0.10 0.67 -0.09 0.00 0.00 0.00 0.00 53.44 53.92 1jgn n ALA 40 Cb 0.40 -0.70 -0.02 0.00 0.00 0.00 0.00 19.45 19.13 1jgn n ALA 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jgn h GLY 41 N 0.00 -0.17 1.68 0.00 0.00 -1.94 -1.25 103.07 101.40 1jgn h GLY 41 Ca 0.59 0.28 -0.24 0.00 0.00 0.00 0.00 47.33 47.96 1jgn h GLY 41 CO -0.47 -0.19 -1.07 1.70 0.00 0.00 0.00 176.54 176.51 1jgn h LYS 42 N -0.25 0.26 0.28 4.80 1.63 -0.51 -3.28 116.57 119.50 1jgn h LYS 42 Ca 0.12 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 1jgn h LYS 42 Cb 0.44 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.16 1jgn h LYS 42 CO -0.35 1.11 -0.43 0.82 -3.45 0.00 0.00 179.45 177.16 1jgn h ILE 43 N 0.11 0.14 -0.77 2.00 2.04 -1.00 -1.72 117.51 118.32 1jgn h ILE 43 Ca -0.09 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.95 1jgn h ILE 43 Cb 1.75 0.14 -0.12 0.00 -0.74 0.00 0.00 36.82 37.86 1jgn h ILE 43 CO 0.17 0.00 0.14 0.00 0.00 0.00 0.00 178.15 178.46 1jgn h THR 44 N -0.77 0.43 0.01 -0.27 1.03 -1.37 -1.77 112.91 110.20 1jgn h THR 44 Ca -0.01 -0.07 0.01 0.00 -0.01 0.00 0.00 66.41 66.32 1jgn h THR 44 Cb 0.73 0.20 -0.02 0.00 -1.07 0.00 0.00 68.15 67.99 1jgn h THR 44 CO -0.15 0.04 -0.19 1.23 -0.01 0.00 0.00 175.52 176.44 1jgn h GLY 45 N 0.21 -1.28 0.55 2.99 0.00 -1.39 0.38 103.07 104.53 1jgn h GLY 45 Ca 0.44 0.61 0.03 0.00 0.00 0.00 0.00 47.33 48.41 1jgn h GLY 45 CO -0.58 -0.42 -0.13 0.00 0.00 0.00 0.00 176.54 175.41 1jgn h MET 46 N -0.24 -0.17 0.00 4.80 -0.00 -0.99 -1.01 114.93 117.31 1jgn h MET 46 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.71 1jgn h MET 46 Cb 0.26 0.04 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 1jgn h MET 46 CO -0.12 -0.11 0.00 1.28 -0.00 0.00 0.00 176.91 177.95 1jgn n LEU 47 N -5.27 0.00 0.00 -0.10 7.99 -0.70 -3.58 117.00 115.33 1jgn n LEU 47 Ca -0.04 0.00 0.04 0.00 -0.01 0.00 0.00 56.01 56.01 1jgn n LEU 47 Cb 0.19 0.00 0.22 0.00 -0.11 0.00 0.00 43.42 43.73 1jgn n LEU 47 CO 0.24 0.00 0.60 -0.11 -1.51 0.00 0.00 177.39 176.61 1jgn n LEU 48 N -0.58 0.00 -0.42 2.23 -0.00 0.13 -1.91 117.00 116.45 1jgn n LEU 48 Ca 0.04 0.34 0.01 0.00 -0.00 0.00 0.00 56.01 56.40 1jgn n LEU 48 Cb 0.02 -0.34 0.03 0.00 -0.00 0.00 0.00 43.42 43.13 1jgn n LEU 48 CO 0.03 -0.24 0.39 -0.62 -0.00 0.00 0.00 177.39 176.95 1jgn n GLU 49 N -1.34 1.26 -2.20 1.96 1.02 -1.24 -4.80 120.64 115.30 1jgn n GLU 49 Ca 0.04 -0.25 -0.29 0.00 -0.02 0.00 0.00 57.16 56.64 1jgn n GLU 49 Cb 0.08 -1.36 0.01 0.00 -0.02 0.00 0.00 31.44 30.15 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 -1.45 4.73 0.64 -3.67 2.07 -0.80 -5.05 121.20 117.67 1jgn s ILE 50 Ca 0.04 0.56 -0.15 0.00 -1.41 0.00 0.00 60.65 59.70 1jgn s ILE 50 Cb 0.03 -3.85 -0.01 0.00 0.13 0.00 0.00 42.46 38.76 1jgn s ILE 50 CO 0.02 -0.99 1.10 -1.81 -1.91 0.00 0.00 174.94 171.34 1jgn s ASP 51 N -4.16 5.29 0.06 4.50 1.01 -1.26 -4.92 116.67 117.19 1jgn s ASP 51 Ca 0.52 1.95 0.06 0.00 0.71 0.00 0.00 52.55 55.79 1jgn s ASP 51 Cb -0.11 -2.55 -0.23 0.00 1.01 0.00 0.00 42.92 41.05 1jgn s ASP 51 CO 0.50 -1.51 1.07 -1.13 0.21 0.00 0.00 175.17 174.31 1jgn h ASN 52 N 0.13 0.08 0.41 0.27 -0.73 -1.96 -2.21 115.58 111.57 1jgn h ASN 52 Ca -0.47 -0.10 -0.18 0.00 1.87 0.00 0.00 56.30 57.43 1jgn h ASN 52 Cb 1.24 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.79 1jgn h ASN 52 CO 0.55 1.08 -0.75 -1.28 -0.37 0.00 0.00 177.43 176.66 1jgn h SER 53 N 0.01 0.33 0.94 1.15 0.87 -2.00 -3.03 113.55 111.82 1jgn h SER 53 Ca -0.11 -0.23 -0.13 0.00 -1.23 0.00 0.00 61.79 60.09 1jgn h SER 53 Cb 1.87 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.72 1jgn h SER 53 CO 0.13 0.96 -0.60 1.05 -0.53 0.00 0.00 176.83 177.84 1jgn h GLU 54 N 0.18 0.00 -0.23 2.24 -0.00 -1.96 -3.20 114.58 111.61 1jgn h GLU 54 Ca -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.34 1jgn h GLU 54 Cb 1.32 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.05 1jgn h GLU 54 CO 0.12 0.60 0.14 1.37 -0.00 0.00 0.00 179.01 181.24 1jgn h LEU 55 N 0.00 0.24 -0.48 3.06 8.10 -1.27 -1.57 115.31 123.38 1jgn h LEU 55 Ca -0.01 -0.00 0.05 0.00 0.11 0.00 0.00 57.88 58.03 1jgn h LEU 55 Cb 1.23 -0.05 -0.05 0.00 -0.44 0.00 0.00 40.66 41.35 1jgn h LEU 55 CO 0.08 0.17 0.21 0.25 -4.11 0.00 0.00 178.44 175.05 1jgn h LEU 56 N 0.29 0.28 -1.74 0.17 5.85 -1.55 -1.06 115.31 117.55 1jgn h LEU 56 Ca 0.09 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1jgn h LEU 56 Cb -0.02 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1jgn h LEU 56 CO -0.03 0.19 0.19 -0.74 -0.34 0.00 0.00 178.44 177.71 1jgn h HIS 57 N 0.42 0.34 0.16 1.25 2.76 -1.47 -2.73 115.15 115.87 1jgn h HIS 57 Ca 0.22 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 1jgn h HIS 57 Cb 0.17 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1jgn h HIS 57 CO -0.13 0.21 -0.08 0.52 -1.30 0.00 0.00 177.93 177.16 1jgn h MET 58 N 0.36 -0.20 0.00 5.26 2.86 -0.19 0.18 114.93 123.20 1jgn h MET 58 Ca 0.11 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1jgn h MET 58 Cb 0.00 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1jgn h MET 58 CO -0.02 -0.10 -0.02 1.25 1.06 0.00 0.00 176.91 179.08 1jgn h LEU 59 N -0.25 0.00 -1.21 1.22 7.12 -1.30 0.25 115.31 121.13 1jgn h LEU 59 Ca -0.02 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.99 1jgn h LEU 59 Cb 0.20 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 1jgn h LEU 59 CO 0.04 0.02 -0.36 -0.62 -0.13 0.00 0.00 178.44 177.38 1jgn n GLU 60 N -3.39 1.47 -3.83 1.25 1.02 -0.87 -4.64 120.64 111.65 1jgn n GLU 60 Ca -0.03 -1.21 -0.28 0.00 -0.02 0.00 0.00 57.16 55.62 1jgn n GLU 60 Cb 0.12 -1.47 -0.12 0.00 -0.02 0.00 0.00 31.44 29.94 1jgn n GLU 60 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1jgn s SER 61 N -2.36 4.36 0.37 1.62 0.01 0.59 -4.94 113.70 113.34 1jgn s SER 61 Ca 0.21 -3.71 0.04 0.00 1.31 0.00 0.00 55.95 53.80 1jgn s SER 61 Cb 0.19 -1.48 0.72 0.00 0.21 0.00 0.00 66.02 65.66 1jgn s SER 61 CO 0.51 -0.10 2.01 1.55 0.41 0.00 0.00 173.24 177.62 1jgn h PRO 62 N 5.48 0.73 0.08 12.44 0.13 -1.83 0.16 132.00 149.20 1jgn h PRO 62 Ca 0.15 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 65.09 1jgn h PRO 62 Cb 0.78 -0.17 0.02 0.00 0.13 0.00 0.00 31.00 31.76 1jgn h PRO 62 CO 0.67 0.49 -0.65 1.05 -0.23 0.00 0.00 178.00 179.33 1jgn h GLU 63 N 0.76 0.29 0.10 0.86 -0.00 -1.92 -3.03 114.58 111.63 1jgn h GLU 63 Ca 0.23 -0.42 -0.00 0.00 -0.00 0.00 0.00 59.36 59.16 1jgn h GLU 63 Cb 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 28.75 28.90 1jgn h GLU 63 CO -0.06 1.16 -0.05 0.77 -0.00 0.00 0.00 179.01 180.84 1jgn h SER 64 N -0.37 -0.11 0.74 3.06 0.02 -1.89 -3.08 113.55 111.92 1jgn h SER 64 Ca -0.10 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.40 1jgn h SER 64 Cb 1.46 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 64.02 1jgn h SER 64 CO 0.12 0.39 -0.45 0.25 -1.14 0.00 0.00 176.83 176.01 1jgn h LEU 65 N -0.65 -1.12 -1.67 5.07 5.85 -0.86 -2.68 115.31 119.25 1jgn h LEU 65 Ca -0.01 0.06 0.31 0.00 0.84 0.00 0.00 57.88 59.07 1jgn h LEU 65 Cb 0.52 0.32 -0.07 0.00 0.37 0.00 0.00 40.66 41.80 1jgn h LEU 65 CO 0.02 -0.69 0.76 -0.09 -0.34 0.00 0.00 178.44 178.10 1jgn h ARG 66 N -1.11 0.19 -0.52 1.25 2.43 -1.67 0.52 114.38 115.47 1jgn h ARG 66 Ca -0.10 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1jgn h ARG 66 Cb 0.88 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1jgn h ARG 66 CO 0.11 0.12 0.28 1.03 -1.51 0.00 0.00 179.97 180.00 1jgn h SER 67 N 0.19 0.65 0.50 -3.80 0.87 -1.38 0.31 113.55 110.90 1jgn h SER 67 Ca 0.58 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 61.02 1jgn h SER 67 Cb 1.89 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.69 1jgn h SER 67 CO -0.16 0.56 -0.24 0.11 -0.53 0.00 0.00 176.83 176.57 1jgn h LYS 68 N 0.70 -0.65 0.00 2.24 1.57 0.20 -3.00 116.57 117.63 1jgn h LYS 68 Ca 0.18 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1jgn h LYS 68 Cb 0.06 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1jgn h LYS 68 CO -0.03 -0.43 0.06 0.28 -0.57 0.00 0.00 179.45 178.76 1jgn h VAL 69 N -0.88 0.00 -0.19 0.50 2.07 -1.31 0.06 116.25 116.50 1jgn h VAL 69 Ca -0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1jgn h VAL 69 Cb 0.52 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1jgn h VAL 69 CO 0.11 0.00 0.05 -0.78 0.02 0.00 0.00 177.57 176.98 1jgn h ASP 70 N 0.00 0.05 0.58 0.57 3.58 -0.22 0.55 116.42 121.51 1jgn h ASP 70 Ca 0.00 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.41 1jgn h ASP 70 Cb 0.12 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1jgn h ASP 70 CO 0.00 0.05 -0.33 -0.08 -2.88 0.00 0.00 179.24 176.01 1jgn h GLU 71 N 0.14 0.00 0.44 0.28 4.81 -0.97 -3.12 114.58 116.16 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 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1jgn h GLU 71 CO -0.10 0.33 -0.21 0.00 -0.73 0.00 0.00 179.01 178.30 1jgn h ALA 72 N 1.67 -0.59 -0.47 2.92 0.00 -0.34 0.13 119.26 122.58 1jgn h ALA 72 Ca -0.00 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 54.91 1jgn h ALA 72 Cb 0.70 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1jgn h ALA 72 CO 0.04 -0.82 0.35 -0.39 0.00 0.00 0.00 179.25 178.43 1jgn h VAL 73 N -0.61 0.73 -0.09 0.00 -1.51 -0.95 0.51 116.25 114.32 1jgn h VAL 73 Ca -0.06 0.00 -0.20 0.00 -1.23 0.00 0.00 66.70 65.21 1jgn h VAL 73 Cb 0.46 0.75 -0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1jgn h VAL 73 CO 0.10 0.00 -0.75 0.00 -1.23 0.00 0.00 177.57 175.69 1jgn h ALA 74 N 1.74 0.51 -0.45 5.19 0.00 -1.21 -2.84 119.26 122.21 1jgn h ALA 74 Ca 0.23 -0.61 0.11 0.00 0.00 0.00 0.00 54.91 54.63 1jgn h ALA 74 Cb 0.92 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1jgn h ALA 74 CO -0.00 0.74 0.31 -0.39 0.00 0.00 0.00 179.25 179.91 1jgn h VAL 75 N 0.35 0.84 -0.03 0.00 -1.51 0.16 0.11 116.25 116.16 1jgn h VAL 75 Ca -0.04 -0.04 -0.03 0.00 -1.23 0.00 0.00 66.70 65.36 1jgn h VAL 75 Cb 1.35 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 1jgn h VAL 75 CO 0.14 0.02 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.35 1jgn h LEU 76 N 0.13 0.13 -1.56 4.19 -0.00 -1.43 0.22 115.31 116.99 1jgn h LEU 76 Ca 0.21 -0.61 0.24 0.00 -0.00 0.00 0.00 57.88 57.72 1jgn h LEU 76 Cb 0.66 -0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 41.22 1jgn h LEU 76 CO -0.03 0.71 0.64 1.56 -0.00 0.00 0.00 178.44 181.32 1jgn h GLN 77 N -0.45 0.32 0.00 1.13 1.08 -0.82 0.85 115.11 117.21 1jgn h GLN 77 Ca -0.00 -0.02 -0.22 0.00 -1.45 0.00 0.00 58.65 56.96 1jgn h GLN 77 Cb 0.70 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.02 1jgn h GLN 77 CO 0.02 0.21 -1.12 0.00 -0.95 0.00 0.00 178.83 176.98 1jgn h ALA 78 N 1.59 0.46 -0.72 3.87 0.00 -0.73 -3.23 119.26 120.50 1jgn h ALA 78 Ca 0.50 -1.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1jgn h ALA 78 Cb 1.40 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1jgn h ALA 78 CO -0.18 1.28 0.41 1.25 0.00 0.00 0.00 179.25 182.02 1jgn h HIS 79 N 0.00 0.97 0.00 0.00 -0.00 0.40 0.65 115.15 117.18 1jgn h HIS 79 Ca -0.07 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.22 1jgn h HIS 79 Cb 1.80 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 28.88 1jgn h HIS 79 CO 0.00 0.67 -0.32 1.96 -0.00 0.00 0.00 177.93 180.24 1jgn h GLN 80 N 0.99 0.00 -0.07 5.26 4.20 -1.20 0.02 115.11 124.31 1jgn h GLN 80 Ca 0.26 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.86 1jgn h GLN 80 Cb 0.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 1jgn h GLN 80 CO -0.04 0.32 -0.39 0.00 -0.67 0.00 0.00 178.83 178.05 1jgn h ALA 81 N 1.68 0.14 0.00 3.87 0.00 -1.33 -1.86 119.26 121.76 1jgn h ALA 81 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1jgn h ALA 81 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1jgn h ALA 81 CO 0.04 0.25 0.00 0.87 0.00 0.00 0.00 179.25 180.41 1jgn h LYS 82 N -0.09 0.00 -0.02 0.00 1.57 -0.84 -2.39 116.57 114.80 1jgn h LYS 82 Ca -0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1jgn h LYS 82 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1jgn h LYS 82 CO 0.08 0.00 -0.12 1.49 -0.57 0.00 0.00 179.45 180.33 1jgn h GLU 83 N 0.00 0.11 -0.31 3.15 4.81 -0.93 -3.14 114.58 118.26 1jgn h GLU 83 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1jgn h GLU 83 Cb 0.79 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 1jgn h GLU 83 CO 0.00 0.79 0.21 0.00 -0.73 0.00 0.00 179.01 179.28 1jgn h ALA 84 N 0.32 0.40 -0.34 2.92 0.00 -1.34 -2.82 119.26 118.39 1jgn h ALA 84 Ca -0.01 -0.02 -0.70 0.00 0.00 0.00 0.00 54.91 54.18 1jgn h ALA 84 Cb 0.82 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1jgn h ALA 84 CO 0.02 -0.14 3.04 0.00 0.00 0.00 0.00 179.25 182.18 1jgn n ALA 85 N -2.18 7.17 1.25 0.00 0.00 -0.90 -4.66 120.51 121.18 1jgn n ALA 85 Ca -0.01 -3.79 0.02 0.00 0.00 0.00 0.00 53.44 49.66 1jgn n ALA 85 Cb 0.02 -3.04 0.13 0.00 0.00 0.00 0.00 19.45 16.57 1jgn n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgn n GLN 86 N 2.58 0.63 -2.29 0.00 -0.00 -1.07 -4.72 117.38 112.51 1jgn n GLN 86 Ca 0.70 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 57.27 1jgn n GLN 86 Cb 0.25 -1.11 -0.02 0.00 -0.00 0.00 0.00 30.24 29.35 1jgn n GLN 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1jgn s LYS 87 N -2.00 3.55 -1.03 2.61 2.20 -1.26 -4.91 119.74 118.90 1jgn s LYS 87 Ca 0.07 1.05 -0.24 0.00 -0.36 0.00 0.00 55.97 56.49 1jgn s LYS 87 Cb 0.03 -4.05 -0.07 0.00 -1.51 0.00 0.00 37.83 32.23 1jgn s LYS 87 CO 0.05 -1.59 1.96 0.00 -0.36 0.00 0.00 175.35 175.41 1jgn s ALA 88 N 5.63 1.67 -0.34 3.13 0.00 -1.26 -4.92 121.76 125.68 1jgn s ALA 88 Ca 0.65 -1.79 -0.18 0.00 0.00 0.00 0.00 51.96 50.64 1jgn s ALA 88 Cb -0.16 -4.62 -0.01 0.00 0.00 0.00 0.00 23.12 18.34 1jgn s ALA 88 CO 0.32 -5.08 0.49 0.08 0.00 0.00 0.00 175.76 171.58 1jgn s VAL 89 N 10.79 5.04 -2.23 0.00 1.01 -1.26 -4.92 120.40 128.83 1jgn s VAL 89 Ca 0.70 0.36 0.20 0.00 0.00 0.00 0.00 61.98 63.24 1jgn s VAL 89 Cb -0.04 -3.93 0.44 0.00 0.00 0.00 0.00 36.38 32.85 1jgn s VAL 89 CO 0.06 -0.17 1.52 -3.20 0.00 0.00 0.00 175.10 173.31 1jgn n ASN 90 N 5.68 1.60 0.20 3.32 2.85 -1.26 -3.74 115.26 123.90 1jgn n ASN 90 Ca -0.05 -1.73 0.10 0.00 -0.11 0.00 0.00 54.58 52.80 1jgn n ASN 90 Cb 0.49 -0.11 0.13 0.00 1.24 0.00 0.00 39.78 41.53 1jgn n ASN 90 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1jgn h SER 91 N 2.08 0.00 -3.59 1.20 0.87 -2.00 -3.43 113.55 108.68 1jgn h SER 91 Ca 0.00 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.91 1jgn h SER 91 Cb 0.46 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.27 1jgn h SER 91 CO 0.00 0.08 0.11 0.00 -0.53 0.00 0.00 176.83 176.49 1jgn s ALA 92 N -3.19 3.38 0.19 6.23 0.00 -1.25 -5.05 121.76 122.07 1jgn s ALA 92 Ca 0.06 -1.13 0.09 0.00 0.00 0.00 0.00 51.96 50.98 1jgn s ALA 92 Cb 0.06 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1jgn s ALA 92 CO 0.69 -1.66 -0.11 0.95 0.00 0.00 0.00 175.76 175.63 1jgn s THR 93 N 2.77 3.09 0.00 0.00 -4.23 -1.26 -5.07 115.64 110.93 1jgn s THR 93 Ca 0.23 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1jgn s THR 93 Cb -0.14 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1jgn s THR 93 CO 0.18 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1jgn n GLY 94 N 0.03 0.44 0.36 3.99 0.00 -1.26 -5.08 105.19 103.66 1jgn n GLY 94 Ca -0.11 -1.78 -0.18 0.00 0.00 0.00 0.00 46.02 43.95 1jgn n GLY 94 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jgn n VAL 95 N 0.00 1.21 -2.45 1.61 0.31 -1.26 -4.90 118.33 112.85 1jgn n VAL 95 Ca 0.00 -0.15 -0.41 0.00 -0.01 0.00 0.00 64.34 63.77 1jgn n VAL 95 Cb 0.00 -1.88 -0.03 0.00 -0.91 0.00 0.00 33.84 31.02 1jgn n VAL 95 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1jgn s PRO 96 N -2.46 3.22 -0.15 5.55 0.04 -1.26 -5.00 135.00 134.95 1jgn s PRO 96 Ca -0.27 0.15 -0.05 0.00 0.04 0.00 0.00 61.00 60.87 1jgn s PRO 96 Cb 0.09 -4.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.44 1jgn s PRO 96 CO 0.35 -2.07 0.03 0.95 0.04 0.00 0.00 177.00 176.30 1jgn s THR 97 N 6.07 4.50 0.00 1.26 -4.23 -1.26 -5.26 115.64 116.72 1jgn s THR 97 Ca 0.45 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 1jgn s THR 97 Cb -0.09 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.77 1jgn s THR 97 CO 0.20 0.52 0.30 1.33 -0.54 0.00 0.00 174.62 176.43