#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 0.44 -0.87 1.61 0.11 -2.11 -1.47 132.00 129.71 1jgn h PRO 2 Ca 0.00 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.87 1jgn h PRO 2 Cb 0.00 -0.10 -0.13 0.00 0.11 0.00 0.00 31.00 30.89 1jgn h PRO 2 CO 0.00 0.29 0.27 1.28 -0.21 0.00 0.00 178.00 179.63 1jgn n LEU 3 N -4.92 5.16 0.12 2.35 7.99 -1.26 -4.25 117.00 122.19 1jgn n LEU 3 Ca 0.05 -2.69 0.02 0.00 -0.01 0.00 0.00 56.01 53.38 1jgn n LEU 3 Cb 0.16 -0.70 0.00 0.00 -0.11 0.00 0.00 43.42 42.77 1jgn n LEU 3 CO 0.27 0.73 0.35 1.23 -1.51 0.00 0.00 177.39 178.47 1jgn h GLY 4 N 2.92 0.00 -6.29 -0.72 0.00 -1.76 -3.44 103.07 93.78 1jgn h GLY 4 Ca 0.26 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.02 1jgn h GLY 4 CO 0.61 0.00 0.90 -0.56 0.00 0.00 0.00 176.54 177.48 1jgn s SER 5 N -6.36 6.75 -0.91 0.19 0.01 -1.26 -4.94 113.70 107.18 1jgn s SER 5 Ca 0.03 0.70 -0.26 0.00 1.31 0.00 0.00 55.95 57.74 1jgn s SER 5 Cb 0.08 -2.55 -0.14 0.00 0.21 0.00 0.00 66.02 63.62 1jgn s SER 5 CO 0.76 -1.10 2.24 -2.84 0.41 0.00 0.00 173.24 172.70 1jgn s PRO 6 N 4.14 1.69 -0.35 12.44 0.02 -1.26 -4.90 135.00 146.77 1jgn s PRO 6 Ca 0.47 0.03 -0.13 0.00 0.02 0.00 0.00 61.00 61.40 1jgn s PRO 6 Cb -0.09 -4.91 -0.01 0.00 0.02 0.00 0.00 34.50 29.52 1jgn s PRO 6 CO 0.25 -4.52 0.24 -0.51 -0.33 0.00 0.00 177.00 172.12 1jgn s LEU 7 N 14.40 4.59 -0.04 -5.54 1.43 -1.26 -4.94 118.68 127.32 1jgn s LEU 7 Ca 0.85 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1jgn s LEU 7 Cb -0.09 -2.12 -0.25 0.00 0.03 0.00 0.00 46.19 43.76 1jgn s LEU 7 CO 0.09 -0.28 0.68 0.00 0.23 0.00 0.00 176.35 177.08 1jgn h THR 8 N 5.56 0.93 -0.66 5.49 1.03 -1.93 -3.08 112.91 120.26 1jgn h THR 8 Ca -0.30 -2.68 0.02 0.00 -0.01 0.00 0.00 66.41 63.44 1jgn h THR 8 Cb 1.15 2.57 -0.04 0.00 -1.07 0.00 0.00 68.15 70.76 1jgn h THR 8 CO 0.65 0.71 0.44 0.00 -0.01 0.00 0.00 175.52 177.31 1jgn h ALA 9 N 0.62 1.60 -0.25 0.00 0.00 -1.93 0.11 119.26 119.42 1jgn h ALA 9 Ca -0.29 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1jgn h ALA 9 Cb 2.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1jgn h ALA 9 CO 0.11 0.34 -0.36 1.03 0.00 0.00 0.00 179.25 180.37 1jgn h SER 10 N 0.82 0.59 -0.34 0.00 0.87 -1.98 -2.63 113.55 110.88 1jgn h SER 10 Ca 0.26 -0.25 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 1jgn h SER 10 Cb 0.01 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1jgn h SER 10 CO -0.07 0.90 0.03 0.24 -0.53 0.00 0.00 176.83 177.40 1jgn h MET 11 N 0.47 0.69 -0.48 2.24 2.86 -0.85 -2.31 114.93 117.55 1jgn h MET 11 Ca 0.05 -0.16 0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1jgn h MET 11 Cb 0.85 -0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.34 1jgn h MET 11 CO 0.07 0.68 0.01 -0.07 1.06 0.00 0.00 176.91 178.67 1jgn h LEU 12 N 0.65 -0.18 -1.39 1.22 4.07 -0.50 0.79 115.31 119.98 1jgn h LEU 12 Ca 0.14 0.11 -0.06 0.00 0.08 0.00 0.00 57.88 58.14 1jgn h LEU 12 Cb 0.37 0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1jgn h LEU 12 CO 0.01 -0.05 -0.29 0.00 -1.08 0.00 0.00 178.44 177.02 1jgn h ALA 13 N 1.42 1.50 -0.59 1.53 0.00 -1.43 -2.56 119.26 119.12 1jgn h ALA 13 Ca 0.24 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1jgn h ALA 13 Cb 0.35 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1jgn h ALA 13 CO -0.39 0.38 0.09 -1.13 0.00 0.00 0.00 179.25 178.20 1jgn n SER 14 N -4.18 5.20 -3.08 0.00 3.41 0.68 -4.55 113.62 111.10 1jgn n SER 14 Ca -0.02 -3.06 -0.20 0.00 -0.26 0.00 0.00 58.87 55.33 1jgn n SER 14 Cb 0.34 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.58 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 0.20 2.84 -0.06 7.33 0.00 0.24 -4.97 120.51 126.10 1jgn n ALA 15 Ca 0.32 -3.73 -0.08 0.00 0.00 0.00 0.00 53.44 49.94 1jgn n ALA 15 Cb 1.23 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 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 2.98 0.07 0.00 0.00 0.11 -1.80 -3.40 132.00 129.97 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 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1jgn h PRO 16 CO 0.59 0.05 0.00 -2.30 -0.21 0.00 0.00 178.00 176.13 1jgn n PRO 17 N -5.15 0.33 -0.79 1.05 -0.02 -1.26 -4.75 135.00 124.41 1jgn n PRO 17 Ca -0.01 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.32 1jgn n PRO 17 Cb 0.13 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.51 1jgn n PRO 17 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1jgn n GLN 18 N -0.47 1.79 -0.14 -0.52 6.02 -1.26 -4.40 117.38 118.40 1jgn n GLN 18 Ca 0.00 -1.01 0.04 0.00 -0.01 0.00 0.00 57.00 56.02 1jgn n GLN 18 Cb 0.00 -2.06 0.11 0.00 1.02 0.00 0.00 30.24 29.31 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 3.01 1.65 0.00 -1.09 -0.58 -1.26 -4.48 120.64 117.89 1jgn n GLU 19 Ca 0.38 -0.91 0.00 0.00 -0.42 0.00 0.00 57.16 56.22 1jgn n GLU 19 Cb 0.53 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 1jgn n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jgn n GLN 20 N 0.22 0.00 0.29 3.49 10.64 -1.26 -0.54 117.38 130.22 1jgn n GLN 20 Ca 0.08 0.84 0.15 0.00 -1.83 0.00 0.00 57.00 56.25 1jgn n GLN 20 Cb 0.25 -1.49 0.82 0.00 -0.86 0.00 0.00 30.24 28.96 1jgn n GLN 20 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.06 176.80 1jgn h LYS 21 N 0.00 0.00 0.00 2.61 5.09 -1.70 -0.15 116.57 122.42 1jgn h LYS 21 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1jgn h LYS 21 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1jgn h LYS 21 CO 0.00 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 178.30 1jgn n GLN 22 N -2.73 0.00 0.00 0.07 -0.06 0.29 -4.20 117.38 110.75 1jgn n GLN 22 Ca -0.02 0.04 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 1jgn n GLN 22 Cb 0.25 -0.69 0.00 0.00 -4.06 0.00 0.00 30.24 25.74 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 -0.62 0.00 0.00 3.69 0.00 -0.60 -4.11 117.12 115.48 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 -0.14 0.00 0.00 0.00 0.00 0.00 33.22 33.08 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 -4.79 117.00 114.15 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 -0.96 3.65 0.05 1.47 0.00 -0.08 -1.08 105.19 108.24 1jgn n GLY 25 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.07 0.00 1.61 5.08 -1.87 -2.66 114.58 116.66 1jgn h GLU 26 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jgn h GLU 26 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1jgn h GLU 26 CO 0.00 -0.05 0.00 -2.13 -1.00 0.00 0.00 179.01 175.83 1jgn n ARG 27 N -3.16 0.00 0.00 2.33 3.00 -0.57 -4.90 116.66 113.37 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 0.03 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.49 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 -0.26 6.15 7.99 -0.24 -3.36 117.00 127.28 1jgn n LEU 28 Ca 0.00 0.48 0.07 0.00 -0.01 0.00 0.00 56.01 56.55 1jgn n LEU 28 Cb 0.48 0.00 0.15 0.00 -0.11 0.00 0.00 43.42 43.94 1jgn n LEU 28 CO 0.00 0.00 0.53 0.33 -1.51 0.00 0.00 177.39 176.74 1jgn n PHE 29 N -0.55 0.34 -0.27 -1.77 -0.00 -1.24 -0.32 117.46 113.65 1jgn n PHE 29 Ca 0.00 0.90 -0.02 0.00 -0.00 0.00 0.00 57.45 58.33 1jgn n PHE 29 Cb 0.00 -0.98 0.10 0.00 -0.00 0.00 0.00 39.48 38.60 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 0.85 -0.07 -7.13 0.11 -1.83 0.61 132.00 124.55 1jgn h PRO 30 Ca 0.39 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.40 1jgn h PRO 30 Cb 0.69 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1jgn h PRO 30 CO -0.74 0.56 -0.16 -0.07 -0.21 0.00 0.00 178.00 177.39 1jgn h LEU 31 N 0.88 0.26 -1.26 2.35 3.38 -0.68 -2.86 115.31 117.38 1jgn h LEU 31 Ca 0.31 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1jgn h LEU 31 Cb 0.08 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1jgn h LEU 31 CO -0.14 0.79 0.00 0.40 0.09 0.00 0.00 178.44 179.59 1jgn h ILE 32 N -0.27 0.00 -0.34 1.22 2.04 -1.28 -0.18 117.51 118.70 1jgn h ILE 32 Ca -0.00 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 1jgn h ILE 32 Cb 0.76 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1jgn h ILE 32 CO 0.03 0.00 0.06 -0.61 0.00 0.00 0.00 178.15 177.64 1jgn h GLN 33 N 0.00 0.50 0.00 2.37 5.75 0.47 0.64 115.11 124.84 1jgn h GLN 33 Ca 0.00 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1jgn h GLN 33 Cb 0.44 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1jgn h GLN 33 CO 0.00 0.48 0.00 0.00 -2.65 0.00 0.00 178.83 176.66 1jgn h ALA 34 N 1.58 1.00 -0.02 3.38 0.00 -0.87 -2.37 119.26 121.97 1jgn h ALA 34 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jgn h ALA 34 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1jgn h ALA 34 CO -0.00 0.00 -0.32 -1.33 0.00 0.00 0.00 179.25 177.60 1jgn n MET 35 N -2.95 1.47 -0.71 0.00 2.81 0.46 -4.97 117.12 113.24 1jgn n MET 35 Ca 0.02 -1.19 -0.29 0.00 -1.81 0.00 0.00 57.70 54.43 1jgn n MET 35 Cb 0.38 -1.48 0.21 0.00 -0.71 0.00 0.00 33.22 31.63 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 -2.34 1.59 -0.95 2.03 -0.00 0.20 -4.01 115.29 111.80 1jgn s HIS 36 Ca 0.22 1.36 -0.00 0.00 -0.00 0.00 0.00 55.06 56.64 1jgn s HIS 36 Cb 0.19 -3.18 0.32 0.00 -0.00 0.00 0.00 32.58 29.91 1jgn s HIS 36 CO 0.49 -3.33 1.63 -0.35 -0.00 0.00 0.00 174.74 173.17 1jgn n PRO 37 N -4.56 4.93 0.00 -0.38 -0.04 -1.26 -5.03 135.00 128.66 1jgn n PRO 37 Ca 0.06 -4.69 0.00 0.00 -0.04 0.00 0.00 63.50 58.83 1jgn n PRO 37 Cb 0.54 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1jgn n PRO 37 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1jgn n THR 38 N 0.07 0.00 -2.67 0.52 -1.04 -1.26 -4.93 114.28 104.99 1jgn n THR 38 Ca 0.42 0.46 -0.04 0.00 -2.04 0.00 0.00 64.05 62.84 1jgn n THR 38 Cb 0.29 -1.13 0.03 0.00 -1.82 0.00 0.00 70.33 67.69 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 -1.43 -1.33 -0.50 -4.42 4.77 -1.26 -5.00 117.00 107.83 1jgn n LEU 39 Ca 0.00 -2.27 0.41 0.00 -0.03 0.00 0.00 56.01 54.12 1jgn n LEU 39 Cb 0.00 0.61 0.70 0.00 -2.33 0.00 0.00 43.42 42.39 1jgn n LEU 39 CO 0.00 1.36 1.29 0.00 -1.33 0.00 0.00 177.39 178.71 1jgn h ALA 40 N 1.35 2.99 -0.60 -1.18 0.00 -1.92 -2.40 119.26 117.51 1jgn h ALA 40 Ca -0.48 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1jgn h ALA 40 Cb 1.25 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1jgn h ALA 40 CO -0.17 -1.62 0.00 0.41 0.00 0.00 0.00 179.25 177.87 1jgn n GLY 41 N -1.61 -2.75 0.32 0.00 0.00 -1.26 -1.28 105.19 98.61 1jgn n GLY 41 Ca 0.39 0.18 -0.00 0.00 0.00 0.00 0.00 46.02 46.59 1jgn n GLY 41 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jgn h LYS 42 N 0.00 0.95 0.17 1.61 1.63 -1.87 -1.93 116.57 117.12 1jgn h LYS 42 Ca 0.00 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1jgn h LYS 42 Cb 0.00 -0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 31.37 1jgn h LYS 42 CO 0.00 0.63 -0.41 0.82 -3.45 0.00 0.00 179.45 177.04 1jgn h ILE 43 N 0.98 0.17 -0.78 2.00 2.04 -1.50 -1.05 117.51 119.37 1jgn h ILE 43 Ca 0.36 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.40 1jgn h ILE 43 Cb 0.12 0.17 -0.12 0.00 -0.74 0.00 0.00 36.82 36.25 1jgn h ILE 43 CO -0.16 0.00 0.16 0.74 0.00 0.00 0.00 178.15 178.89 1jgn h THR 44 N -0.67 0.42 0.13 -0.27 2.02 -0.86 -2.24 112.91 111.43 1jgn h THR 44 Ca 0.01 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.13 1jgn h THR 44 Cb 0.68 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1jgn h THR 44 CO -0.21 0.04 -0.50 1.23 0.37 0.00 0.00 175.52 176.45 1jgn h GLY 45 N 0.22 -1.17 0.45 2.16 0.00 -0.43 0.25 103.07 104.55 1jgn h GLY 45 Ca 0.45 0.64 -0.01 0.00 0.00 0.00 0.00 47.33 48.41 1jgn h GLY 45 CO -0.58 -0.28 -0.49 -0.33 0.00 0.00 0.00 176.54 174.85 1jgn h MET 46 N -0.72 -0.90 -0.82 4.80 2.86 -0.79 -1.63 114.93 117.73 1jgn h MET 46 Ca -0.01 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1jgn h MET 46 Cb 0.72 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1jgn h MET 46 CO -0.26 -0.60 0.00 1.28 1.06 0.00 0.00 176.91 178.39 1jgn n LEU 47 N -5.54 0.82 0.00 1.22 4.32 -1.01 -3.66 117.00 113.14 1jgn n LEU 47 Ca -0.11 -0.41 0.04 0.00 -0.02 0.00 0.00 56.01 55.51 1jgn n LEU 47 Cb 0.45 -0.41 0.22 0.00 -1.62 0.00 0.00 43.42 42.05 1jgn n LEU 47 CO 0.25 0.20 0.60 -0.11 -1.22 0.00 0.00 177.39 177.11 1jgn n LEU 48 N -0.09 0.00 -1.64 2.23 -0.00 0.07 -1.78 117.00 115.80 1jgn n LEU 48 Ca 0.00 0.35 -0.06 0.00 -0.00 0.00 0.00 56.01 56.29 1jgn n LEU 48 Cb 0.20 -0.35 0.19 0.00 -0.00 0.00 0.00 43.42 43.47 1jgn n LEU 48 CO 0.00 -0.24 0.86 -0.62 -0.00 0.00 0.00 177.39 177.39 1jgn n GLU 49 N -1.35 2.66 -2.09 1.96 1.02 -1.24 -4.80 120.64 116.80 1jgn n GLU 49 Ca 0.04 -2.05 -0.28 0.00 -0.02 0.00 0.00 57.16 54.85 1jgn n GLU 49 Cb 0.08 -1.89 0.15 0.00 -0.02 0.00 0.00 31.44 29.76 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 -2.18 2.06 -0.05 -3.67 2.07 -0.73 -5.01 121.20 113.68 1jgn s ILE 50 Ca 0.37 -0.15 -0.30 0.00 -1.41 0.00 0.00 60.65 59.16 1jgn s ILE 50 Cb 0.30 -2.91 -0.04 0.00 0.13 0.00 0.00 42.46 39.94 1jgn s ILE 50 CO 0.09 0.00 1.29 -1.81 -1.91 0.00 0.00 174.94 172.60 1jgn s ASP 51 N -4.79 6.96 0.39 4.50 1.01 -1.26 -4.91 116.67 118.56 1jgn s ASP 51 Ca 0.70 1.92 0.12 0.00 0.71 0.00 0.00 52.55 55.99 1jgn s ASP 51 Cb -0.06 -2.56 0.78 0.00 1.01 0.00 0.00 42.92 42.09 1jgn s ASP 51 CO 0.50 -0.66 1.87 -1.13 0.21 0.00 0.00 175.17 175.96 1jgn h ASN 52 N 7.73 0.06 0.40 0.27 -0.73 -1.96 0.15 115.58 121.49 1jgn h ASN 52 Ca -0.35 -0.02 -0.17 0.00 1.87 0.00 0.00 56.30 57.64 1jgn h ASN 52 Cb 1.16 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.72 1jgn h ASN 52 CO 0.90 0.35 -0.70 0.28 -0.37 0.00 0.00 177.43 177.89 1jgn h SER 53 N 0.05 0.31 1.32 1.15 0.02 -2.00 -2.92 113.55 111.48 1jgn h SER 53 Ca 0.01 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 1jgn h SER 53 Cb 0.54 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1jgn h SER 53 CO 0.04 0.91 -0.37 -0.33 -1.14 0.00 0.00 176.83 175.93 1jgn h GLU 54 N 0.18 0.00 -0.25 3.45 4.39 -1.72 -3.20 114.58 117.43 1jgn h GLU 54 Ca -0.02 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.69 1jgn h GLU 54 Cb 1.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 1jgn h GLU 54 CO 0.11 0.37 0.13 1.37 -1.16 0.00 0.00 179.01 179.83 1jgn h LEU 55 N 0.00 0.20 -0.78 1.33 8.10 -0.54 0.42 115.31 124.03 1jgn h LEU 55 Ca -0.00 0.01 0.02 0.00 0.11 0.00 0.00 57.88 58.01 1jgn h LEU 55 Cb 1.14 -0.03 -0.04 0.00 -0.44 0.00 0.00 40.66 41.28 1jgn h LEU 55 CO 0.05 0.15 0.51 0.25 -4.11 0.00 0.00 178.44 175.29 1jgn h LEU 56 N 0.27 0.87 -1.45 0.17 7.12 -1.58 -0.07 115.31 120.64 1jgn h LEU 56 Ca 0.10 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.09 1jgn h LEU 56 Cb 0.02 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 39.94 1jgn h LEU 56 CO -0.06 0.62 0.00 0.45 -0.13 0.00 0.00 178.44 179.31 1jgn h HIS 57 N 1.02 0.00 0.52 1.25 3.86 -1.33 -3.05 115.15 117.42 1jgn h HIS 57 Ca 0.30 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.48 1jgn h HIS 57 Cb -0.07 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.41 1jgn h HIS 57 CO -0.02 0.00 -0.25 0.52 0.86 0.00 0.00 177.93 179.04 1jgn h MET 58 N 0.00 -0.67 0.00 2.45 2.86 0.18 -1.11 114.93 118.64 1jgn h MET 58 Ca 0.00 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1jgn h MET 58 Cb 0.44 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1jgn h MET 58 CO 0.00 -0.40 -0.01 1.25 1.06 0.00 0.00 176.91 178.81 1jgn h LEU 59 N -1.13 0.00 -0.05 1.22 5.85 -1.53 0.67 115.31 120.35 1jgn h LEU 59 Ca -0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1jgn h LEU 59 Cb 0.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1jgn h LEU 59 CO 0.12 0.01 -0.56 -1.84 -0.34 0.00 0.00 178.44 175.83 1jgn n GLU 60 N -3.22 0.08 -3.85 1.25 -0.00 -1.16 -4.57 120.64 109.17 1jgn n GLU 60 Ca -0.03 -0.05 -0.29 0.00 -0.00 0.00 0.00 57.16 56.80 1jgn n GLU 60 Cb 0.11 -1.50 -0.13 0.00 -0.00 0.00 0.00 31.44 29.92 1jgn n GLU 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1jgn s SER 61 N -2.96 4.22 0.43 -1.84 0.15 0.23 -4.95 113.70 108.98 1jgn s SER 61 Ca 0.12 -3.31 0.08 0.00 0.70 0.00 0.00 55.95 53.54 1jgn s SER 61 Cb 0.17 -1.46 0.92 0.00 -1.71 0.00 0.00 66.02 63.94 1jgn s SER 61 CO 0.71 -0.17 2.07 -0.65 1.20 0.00 0.00 173.24 176.40 1jgn h PRO 62 N 6.02 0.47 0.06 5.44 0.11 -1.81 0.19 132.00 142.48 1jgn h PRO 62 Ca 0.05 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.00 1jgn h PRO 62 Cb 0.84 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.86 1jgn h PRO 62 CO 0.65 0.31 -0.55 1.05 -0.21 0.00 0.00 178.00 179.25 1jgn h GLU 63 N 0.48 0.26 0.20 1.05 -0.00 -1.92 -2.99 114.58 111.66 1jgn h GLU 63 Ca 0.13 -0.36 -0.01 0.00 -0.00 0.00 0.00 59.36 59.12 1jgn h GLU 63 Cb -0.04 0.12 0.00 0.00 -0.00 0.00 0.00 28.75 28.84 1jgn h GLU 63 CO -0.03 1.12 -0.10 0.77 -0.00 0.00 0.00 179.01 180.77 1jgn h SER 64 N -0.42 -0.23 0.64 3.06 0.02 -1.87 -3.08 113.55 111.67 1jgn h SER 64 Ca -0.09 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.53 1jgn h SER 64 Cb 1.36 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.95 1jgn h SER 64 CO 0.10 0.26 -0.40 0.25 -1.14 0.00 0.00 176.83 175.90 1jgn h LEU 65 N -0.80 -1.02 -1.47 5.07 5.85 -0.80 -2.66 115.31 119.48 1jgn h LEU 65 Ca -0.03 0.06 0.29 0.00 0.84 0.00 0.00 57.88 59.04 1jgn h LEU 65 Cb 0.51 0.30 -0.09 0.00 0.37 0.00 0.00 40.66 41.76 1jgn h LEU 65 CO 0.04 -0.61 0.70 -0.09 -0.34 0.00 0.00 178.44 178.15 1jgn h ARG 66 N -0.98 0.30 -0.56 1.25 1.12 -1.68 0.53 114.38 114.37 1jgn h ARG 66 Ca -0.09 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.76 1jgn h ARG 66 Cb 0.78 -0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 30.65 1jgn h ARG 66 CO 0.08 0.20 0.33 1.03 -3.11 0.00 0.00 179.97 178.50 1jgn h SER 67 N 0.31 0.68 0.54 -3.80 0.87 -1.39 0.28 113.55 111.05 1jgn h SER 67 Ca 0.60 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 61.06 1jgn h SER 67 Cb 1.68 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 63.47 1jgn h SER 67 CO -0.25 0.56 -0.26 0.11 -0.53 0.00 0.00 176.83 176.45 1jgn h LYS 68 N 0.76 -0.70 -0.00 2.24 1.57 0.34 -3.08 116.57 117.69 1jgn h LYS 68 Ca 0.20 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1jgn h LYS 68 Cb 0.01 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1jgn h LYS 68 CO -0.04 -0.47 0.01 0.28 -0.57 0.00 0.00 179.45 178.67 1jgn h VAL 69 N -0.98 0.13 -0.22 0.50 2.07 -1.19 -0.74 116.25 115.82 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 0.56 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1jgn h VAL 69 CO 0.12 0.00 0.08 -0.78 0.02 0.00 0.00 177.57 177.01 1jgn h ASP 70 N 0.00 0.10 0.65 0.57 3.58 -0.34 0.11 116.42 121.08 1jgn h ASP 70 Ca 0.00 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 1jgn h ASP 70 Cb 0.02 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1jgn h ASP 70 CO -0.00 0.09 -0.25 -0.08 -2.88 0.00 0.00 179.24 176.11 1jgn h GLU 71 N 0.19 0.00 0.29 0.28 4.81 -1.13 -3.08 114.58 115.93 1jgn h GLU 71 Ca 0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1jgn h GLU 71 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1jgn h GLU 71 CO -0.09 0.25 -0.14 0.00 -0.73 0.00 0.00 179.01 178.30 1jgn h ALA 72 N 1.75 -0.38 -0.16 2.92 0.00 -0.20 0.71 119.26 123.90 1jgn h ALA 72 Ca -0.00 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1jgn h ALA 72 Cb 0.65 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1jgn h ALA 72 CO 0.03 -0.66 0.17 -0.39 0.00 0.00 0.00 179.25 178.40 1jgn h VAL 73 N -0.49 0.55 -0.12 0.00 -1.51 -0.94 0.72 116.25 114.45 1jgn h VAL 73 Ca -0.04 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 65.24 1jgn h VAL 73 Cb 0.37 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 1jgn h VAL 73 CO 0.06 0.00 -0.72 0.00 -1.23 0.00 0.00 177.57 175.68 1jgn h ALA 74 N 1.82 0.51 -0.82 5.19 0.00 -1.20 -2.31 119.26 122.46 1jgn h ALA 74 Ca 0.08 -0.59 0.05 0.00 0.00 0.00 0.00 54.91 54.45 1jgn h ALA 74 Cb 0.41 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1jgn h ALA 74 CO -0.00 0.73 0.54 -0.39 0.00 0.00 0.00 179.25 180.12 1jgn h VAL 75 N 0.39 1.08 -0.18 0.00 -1.51 0.15 -0.26 116.25 115.91 1jgn h VAL 75 Ca -0.03 -0.32 -0.14 0.00 -1.23 0.00 0.00 66.70 64.98 1jgn h VAL 75 Cb 1.31 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 1jgn h VAL 75 CO 0.13 0.17 -0.42 0.25 -1.23 0.00 0.00 177.57 176.48 1jgn h LEU 76 N 0.95 0.68 -1.15 4.19 6.46 -1.45 0.17 115.31 125.14 1jgn h LEU 76 Ca 0.34 -0.57 0.16 0.00 -0.12 0.00 0.00 57.88 57.70 1jgn h LEU 76 Cb 0.15 -0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 39.79 1jgn h LEU 76 CO -0.11 1.12 0.61 1.56 -0.62 0.00 0.00 178.44 180.99 1jgn h GLN 77 N 0.26 0.73 0.00 1.25 1.08 -0.71 0.46 115.11 118.18 1jgn h GLN 77 Ca -0.00 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.02 1jgn h GLN 77 Cb 1.02 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.27 1jgn h GLN 77 CO 0.09 0.48 -0.74 0.00 -0.95 0.00 0.00 178.83 177.71 1jgn h ALA 78 N 1.60 0.62 -0.11 3.87 0.00 -0.96 -3.26 119.26 121.02 1jgn h ALA 78 Ca 0.51 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1jgn h ALA 78 Cb 0.80 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1jgn h ALA 78 CO -0.28 0.79 -0.36 1.25 0.00 0.00 0.00 179.25 180.65 1jgn h HIS 79 N 0.00 0.25 0.00 0.00 -0.00 0.28 -2.42 115.15 113.26 1jgn h HIS 79 Ca -0.03 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 1jgn h HIS 79 Cb 1.49 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.84 1jgn h HIS 79 CO 0.00 0.56 -0.18 1.04 -0.00 0.00 0.00 177.93 179.34 1jgn n GLN 80 N -4.07 0.07 0.04 5.26 6.02 0.52 -3.15 117.38 122.08 1jgn n GLN 80 Ca -0.01 0.04 -0.03 0.00 -0.01 0.00 0.00 57.00 56.99 1jgn n GLN 80 Cb 0.44 -1.57 -0.01 0.00 1.02 0.00 0.00 30.24 30.12 1jgn n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jgn h ALA 81 N 2.87 -0.23 0.00 -1.58 0.00 -1.47 -2.20 119.26 116.65 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 0.56 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1jgn h ALA 81 CO 0.00 -0.21 0.00 1.63 0.00 0.00 0.00 179.25 180.67 1jgn n LYS 82 N -3.96 0.17 0.09 0.00 5.02 -1.19 -1.81 118.16 116.47 1jgn n LYS 82 Ca -0.02 0.43 0.11 0.00 -2.02 0.00 0.00 58.31 56.82 1jgn n LYS 82 Cb 0.07 -1.84 -0.02 0.00 -0.02 0.00 0.00 35.03 33.22 1jgn n LYS 82 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1jgn n GLU 83 N -2.15 0.60 0.00 1.97 2.13 -1.19 -3.83 120.64 118.17 1jgn n GLU 83 Ca 0.02 0.09 0.06 0.00 0.66 0.00 0.00 57.16 57.98 1jgn n GLU 83 Cb 0.20 -1.79 0.27 0.00 0.27 0.00 0.00 31.44 30.38 1jgn n GLU 83 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jgn n ALA 84 N -2.18 1.58 -0.17 4.31 0.00 -0.75 -2.80 120.51 120.49 1jgn n ALA 84 Ca -0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 1jgn n ALA 84 Cb 0.55 -1.20 0.01 0.00 0.00 0.00 0.00 19.45 18.81 1jgn n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgn h ALA 85 N 2.44 0.64 0.00 0.00 0.00 -1.69 -3.37 119.26 117.28 1jgn h ALA 85 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jgn h ALA 85 Cb 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1jgn h ALA 85 CO 0.00 0.28 -0.03 1.96 0.00 0.00 0.00 179.25 181.46 1jgn h GLN 86 N 0.66 0.00 -5.38 0.00 4.20 -1.80 -3.46 115.11 109.33 1jgn h GLN 86 Ca 0.16 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.27 1jgn h GLN 86 Cb 0.23 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.89 1jgn h GLN 86 CO -0.01 0.00 -0.22 0.21 -0.67 0.00 0.00 178.83 178.14 1jgn s LYS 87 N -1.12 4.15 -1.29 1.46 2.20 -1.21 -5.00 119.74 118.93 1jgn s LYS 87 Ca -0.01 0.16 -0.17 0.00 -0.36 0.00 0.00 55.97 55.59 1jgn s LYS 87 Cb 0.00 -3.55 0.09 0.00 -1.51 0.00 0.00 37.83 32.86 1jgn s LYS 87 CO 0.01 -0.05 1.71 0.00 -0.36 0.00 0.00 175.35 176.66 1jgn n ALA 88 N 4.52 3.73 0.04 3.13 0.00 -1.26 -4.21 120.51 126.46 1jgn n ALA 88 Ca -0.09 -3.93 0.10 0.00 0.00 0.00 0.00 53.44 49.52 1jgn n ALA 88 Cb 0.51 -3.50 0.21 0.00 0.00 0.00 0.00 19.45 16.67 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 5.99 0.69 0.11 0.00 0.31 -1.26 -4.22 118.33 119.95 1jgn n VAL 89 Ca 0.47 -0.84 -0.06 0.00 -0.01 0.00 0.00 64.34 63.90 1jgn n VAL 89 Cb 0.45 0.78 -0.03 0.00 -0.91 0.00 0.00 33.84 34.13 1jgn n VAL 89 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1jgn h ASN 90 N 3.60 -0.32 1.28 4.52 -1.24 -1.91 -3.32 115.58 118.21 1jgn h ASN 90 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1jgn h ASN 90 Cb 0.87 0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.00 1jgn h ASN 90 CO 0.00 0.11 0.00 -1.28 -1.29 0.00 0.00 177.43 174.97 1jgn h SER 91 N -1.05 0.00 -3.98 1.15 0.87 -1.99 -3.45 113.55 105.10 1jgn h SER 91 Ca -0.04 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.07 1jgn h SER 91 Cb 0.29 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1jgn h SER 91 CO 0.06 0.00 0.30 0.00 -0.53 0.00 0.00 176.83 176.67 1jgn s ALA 92 N -3.17 3.11 0.38 6.23 0.00 -1.25 -5.08 121.76 121.97 1jgn s ALA 92 Ca 0.09 0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.49 1jgn s ALA 92 Cb 0.11 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 20.08 1jgn s ALA 92 CO 0.54 0.17 0.05 0.99 0.00 0.00 0.00 175.76 177.51 1jgn s THR 93 N -2.07 2.35 -0.04 0.00 2.01 -1.26 -4.91 115.64 111.71 1jgn s THR 93 Ca 0.59 -1.93 -0.03 0.00 0.31 0.00 0.00 61.69 60.63 1jgn s THR 93 Cb -0.10 -2.89 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 1jgn s THR 93 CO 0.15 -0.10 -0.06 0.61 -0.69 0.00 0.00 174.62 174.53 1jgn n GLY 94 N -1.02 -0.61 3.68 4.40 0.00 -1.26 -4.91 105.19 105.47 1jgn n GLY 94 Ca -0.04 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.39 4.92 0.02 1.61 1.01 -1.26 -4.99 120.40 120.32 1jgn s VAL 95 Ca -0.05 1.59 -0.27 0.00 0.00 0.00 0.00 61.98 63.25 1jgn s VAL 95 Cb 0.01 -4.12 -0.15 0.00 0.00 0.00 0.00 36.38 32.12 1jgn s VAL 95 CO 0.08 0.09 1.14 1.55 0.00 0.00 0.00 175.10 177.96 1jgn h PRO 96 N 7.18 -0.95 -6.60 2.72 0.13 -2.06 -3.44 132.00 128.98 1jgn h PRO 96 Ca -0.33 0.06 -0.51 0.00 -0.87 0.00 0.00 66.00 64.36 1jgn h PRO 96 Cb 1.15 0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1jgn h PRO 96 CO 0.81 -0.63 -0.06 0.95 -0.23 0.00 0.00 178.00 178.84 1jgn s THR 97 N -4.75 4.95 0.00 1.56 -4.23 -1.26 -5.18 115.64 106.72 1jgn s THR 97 Ca -0.14 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1jgn s THR 97 Cb 0.01 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1jgn s THR 97 CO 0.43 -0.38 0.44 1.33 -0.54 0.00 0.00 174.62 175.90