#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh4 n PRO 2 N 0.00 0.61 -2.08 1.61 -0.04 -1.26 -4.43 135.00 129.41 1jh4 n PRO 2 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1jh4 n PRO 2 Cb 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1jh4 n PRO 2 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1jh4 n LEU 3 N -0.98 6.22 -4.90 1.53 0.00 -1.26 -4.96 117.00 112.64 1jh4 n LEU 3 Ca 0.14 -4.13 -0.28 0.00 0.00 0.00 0.00 56.01 51.74 1jh4 n LEU 3 Cb 0.06 -1.67 0.03 0.00 0.00 0.00 0.00 43.42 41.85 1jh4 n LEU 3 CO 0.11 0.83 0.61 -0.83 0.00 0.00 0.00 177.39 178.11 1jh4 s GLY 4 N 3.29 1.61 -0.30 -3.96 0.00 -1.26 -4.99 107.32 101.71 1jh4 s GLY 4 Ca 0.48 -0.54 -0.29 0.00 0.00 0.00 0.00 44.72 44.38 1jh4 s GLY 4 CO -0.03 -0.23 1.64 -1.35 0.00 0.00 0.00 173.10 173.14 1jh4 s SER 5 N -4.31 6.19 0.01 1.64 1.04 -1.26 -4.94 113.70 112.07 1jh4 s SER 5 Ca 0.55 1.35 -0.07 0.00 0.48 0.00 0.00 55.95 58.25 1jh4 s SER 5 Cb -0.11 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.44 1jh4 s SER 5 CO 0.48 -1.46 1.11 -0.65 0.98 0.00 0.00 173.24 173.70 1jh4 h PRO 6 N 11.53 -0.24 -5.62 4.02 0.11 -2.01 -3.43 132.00 136.36 1jh4 h PRO 6 Ca -0.32 0.02 -0.65 0.00 0.11 0.00 0.00 66.00 65.15 1jh4 h PRO 6 Cb 1.15 0.06 -0.16 0.00 0.11 0.00 0.00 31.00 32.15 1jh4 h PRO 6 CO 1.03 -0.16 -0.61 -0.51 -0.21 0.00 0.00 178.00 177.54 1jh4 s LEU 7 N -5.29 3.63 0.02 2.35 2.01 -1.26 -5.01 118.68 115.13 1jh4 s LEU 7 Ca -0.04 0.09 0.08 0.00 0.01 0.00 0.00 54.13 54.27 1jh4 s LEU 7 Cb 0.01 -1.87 -0.23 0.00 0.01 0.00 0.00 46.19 44.11 1jh4 s LEU 7 CO 0.12 0.28 0.90 0.71 1.01 0.00 0.00 176.35 179.37 1jh4 h THR 8 N 4.55 1.19 0.55 5.49 1.35 -2.00 -3.07 112.91 120.97 1jh4 h THR 8 Ca -0.43 -2.97 -0.03 0.00 -0.55 0.00 0.00 66.41 62.44 1jh4 h THR 8 Cb 1.19 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 1jh4 h THR 8 CO 0.61 0.71 -0.30 0.00 -0.25 0.00 0.00 175.52 176.29 1jh4 h ALA 9 N 0.92 -1.17 -0.17 6.62 0.00 -2.00 -2.64 119.26 120.81 1jh4 h ALA 9 Ca -0.18 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.61 1jh4 h ALA 9 Cb 1.93 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 20.08 1jh4 h ALA 9 CO 0.11 -1.13 0.19 0.77 0.00 0.00 0.00 179.25 179.18 1jh4 h SER 10 N -0.78 0.00 -0.68 0.00 0.02 -1.95 -1.07 113.55 109.09 1jh4 h SER 10 Ca -0.07 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1jh4 h SER 10 Cb 0.61 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1jh4 h SER 10 CO 0.10 0.00 0.31 0.24 -1.14 0.00 0.00 176.83 176.34 1jh4 h MET 11 N 0.00 0.99 0.61 3.45 2.86 -1.37 0.21 114.93 121.67 1jh4 h MET 11 Ca 0.08 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1jh4 h MET 11 Cb 0.46 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 31.95 1jh4 h MET 11 CO -0.00 0.79 -0.29 1.25 1.06 0.00 0.00 176.91 179.72 1jh4 h LEU 12 N 0.95 -0.69 -0.85 1.22 7.12 -0.94 -2.78 115.31 119.33 1jh4 h LEU 12 Ca 0.23 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.26 1jh4 h LEU 12 Cb 0.14 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.45 1jh4 h LEU 12 CO -0.03 -0.41 0.00 0.00 -0.13 0.00 0.00 178.44 177.87 1jh4 n ALA 13 N -2.54 1.86 0.00 1.25 0.00 -1.08 -2.83 120.51 117.18 1jh4 n ALA 13 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.18 1jh4 n ALA 13 Cb 0.32 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.63 1jh4 n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jh4 h SER 14 N 0.38 0.26 -2.61 0.00 0.87 -0.28 -3.42 113.55 108.75 1jh4 h SER 14 Ca 0.00 -0.57 -0.60 0.00 -1.23 0.00 0.00 61.79 59.39 1jh4 h SER 14 Cb 0.24 -0.09 -0.40 0.00 -0.44 0.00 0.00 62.40 61.71 1jh4 h SER 14 CO 0.00 1.51 -0.78 0.00 -0.53 0.00 0.00 176.83 177.03 1jh4 n ALA 15 N -2.81 3.18 -0.30 6.23 0.00 -1.13 -5.00 120.51 120.67 1jh4 n ALA 15 Ca -0.25 -3.89 -0.01 0.00 0.00 0.00 0.00 53.44 49.29 1jh4 n ALA 15 Cb 1.05 -0.89 0.05 0.00 0.00 0.00 0.00 19.45 19.66 1jh4 n ALA 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jh4 h PRO 16 N 5.23 -0.05 0.00 0.00 0.10 -1.82 -3.19 132.00 132.26 1jh4 h PRO 16 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.30 1jh4 h PRO 16 Cb 0.82 0.01 0.00 0.00 0.10 0.00 0.00 31.00 31.93 1jh4 h PRO 16 CO 0.57 -0.03 0.00 -2.30 0.10 0.00 0.00 178.00 176.34 1jh4 n PRO 17 N -5.49 2.14 0.00 1.05 -0.02 -1.26 -4.68 135.00 126.74 1jh4 n PRO 17 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1jh4 n PRO 17 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 1jh4 n PRO 17 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jh4 n GLN 18 N 0.00 0.73 -1.17 -0.52 0.00 -1.26 -3.43 117.38 111.73 1jh4 n GLN 18 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 57.00 56.75 1jh4 n GLN 18 Cb 0.00 -1.10 0.14 0.00 0.00 0.00 0.00 30.24 29.29 1jh4 n GLN 18 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1jh4 n GLU 19 N -0.33 2.25 0.00 2.61 1.02 -1.25 -4.53 120.64 120.41 1jh4 n GLU 19 Ca 0.00 -2.84 0.00 0.00 -0.02 0.00 0.00 57.16 54.30 1jh4 n GLU 19 Cb 0.05 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 1jh4 n GLU 19 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1jh4 n GLN 20 N -0.96 0.00 0.00 3.49 6.02 -1.21 -3.93 117.38 120.80 1jh4 n GLN 20 Ca 0.56 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 1jh4 n GLN 20 Cb 1.37 -0.79 0.00 0.00 1.02 0.00 0.00 30.24 31.84 1jh4 n GLN 20 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1jh4 n LYS 21 N -0.62 0.96 0.20 -1.09 4.76 -1.26 -4.12 118.16 116.99 1jh4 n LYS 21 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1jh4 n LYS 21 Cb 0.00 -1.13 -0.07 0.00 -1.84 0.00 0.00 35.03 31.99 1jh4 n LYS 21 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1jh4 h GLN 22 N 0.01 -0.51 0.00 1.97 -0.00 -1.72 -3.24 115.11 111.62 1jh4 h GLN 22 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 1jh4 h GLN 22 Cb 0.13 0.12 0.00 0.00 0.00 0.00 0.00 27.48 27.72 1jh4 h GLN 22 CO 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 178.83 178.63 1jh4 n MET 23 N -5.18 0.00 -0.23 1.69 0.00 -1.26 -4.12 117.12 108.02 1jh4 n MET 23 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.54 1jh4 n MET 23 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 33.22 33.42 1jh4 n MET 23 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1jh4 n LEU 24 N 0.00 1.48 0.00 3.17 -0.00 -1.26 -4.87 117.00 115.52 1jh4 n LEU 24 Ca 0.00 -1.51 0.00 0.00 -0.00 0.00 0.00 56.01 54.50 1jh4 n LEU 24 Cb 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 42.80 1jh4 n LEU 24 CO 0.00 -0.56 0.00 0.61 -0.00 0.00 0.00 177.39 177.44 1jh4 n GLY 25 N 3.76 0.77 0.00 1.47 0.00 -1.22 -4.37 105.19 105.60 1jh4 n GLY 25 Ca 0.13 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1jh4 n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1jh4 n GLU 26 N 0.00 0.00 -0.27 1.61 -0.00 -1.25 -4.14 120.64 116.59 1jh4 n GLU 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1jh4 n GLU 26 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 31.44 31.19 1jh4 n GLU 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1jh4 n ARG 27 N -0.09 0.00 0.02 3.44 3.00 -1.26 -4.75 116.66 117.03 1jh4 n ARG 27 Ca 0.00 -0.67 -0.19 0.00 -0.00 0.00 0.00 57.85 56.99 1jh4 n ARG 27 Cb 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 32.46 31.91 1jh4 n ARG 27 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1jh4 h LEU 28 N 0.00 0.59 -0.50 6.15 3.38 -1.90 -3.23 115.31 119.80 1jh4 h LEU 28 Ca 0.00 -0.80 0.10 0.00 0.09 0.00 0.00 57.88 57.27 1jh4 h LEU 28 Cb 1.19 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.65 1jh4 h LEU 28 CO 0.00 1.32 -0.30 0.15 0.09 0.00 0.00 178.44 179.70 1jh4 h PHE 29 N -0.06 -0.82 -0.47 1.13 3.57 -1.80 0.62 116.94 119.10 1jh4 h PHE 29 Ca -0.10 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.55 1jh4 h PHE 29 Cb 1.47 0.43 -0.08 0.00 2.79 0.00 0.00 35.95 40.57 1jh4 h PHE 29 CO 0.15 -0.36 0.00 -1.35 -2.23 0.00 0.00 178.31 174.52 1jh4 h PRO 30 N -0.18 0.11 -0.12 6.41 0.11 -1.89 1.40 132.00 137.84 1jh4 h PRO 30 Ca 0.21 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 1jh4 h PRO 30 Cb 0.53 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1jh4 h PRO 30 CO -0.60 0.07 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.14 1jh4 h LEU 31 N 0.12 0.26 -0.34 2.35 3.38 -1.23 -3.05 115.31 116.80 1jh4 h LEU 31 Ca 0.24 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1jh4 h LEU 31 Cb 0.35 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1jh4 h LEU 31 CO -0.39 0.60 -0.12 -0.29 0.09 0.00 0.00 178.44 178.33 1jh4 h ILE 32 N -0.08 1.28 -0.97 1.22 -0.00 0.54 -2.57 117.51 116.93 1jh4 h ILE 32 Ca 0.03 -1.20 0.31 0.00 -0.00 0.00 0.00 64.86 64.00 1jh4 h ILE 32 Cb 0.50 1.36 -0.17 0.00 -0.00 0.00 0.00 36.82 38.51 1jh4 h ILE 32 CO 0.02 0.39 0.30 -0.61 -0.00 0.00 0.00 178.15 178.25 1jh4 h GLN 33 N 0.45 0.09 -0.81 2.19 4.15 0.19 2.04 115.11 123.41 1jh4 h GLN 33 Ca 0.08 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.58 1jh4 h GLN 33 Cb 0.63 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.25 1jh4 h GLN 33 CO 0.04 0.06 0.53 0.00 -1.93 0.00 0.00 178.83 177.53 1jh4 h ALA 34 N 1.92 1.69 0.00 3.38 0.00 -1.35 -3.25 119.26 121.66 1jh4 h ALA 34 Ca 0.68 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 55.14 1jh4 h ALA 34 Cb 1.56 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 1jh4 h ALA 34 CO -0.77 0.16 -2.40 -1.33 0.00 0.00 0.00 179.25 174.92 1jh4 n MET 35 N -4.50 0.59 -3.61 0.00 2.81 0.47 -5.03 117.12 107.86 1jh4 n MET 35 Ca 0.13 0.29 -0.21 0.00 -1.81 0.00 0.00 57.70 56.10 1jh4 n MET 35 Cb 0.28 -1.52 0.06 0.00 -0.71 0.00 0.00 33.22 31.32 1jh4 n MET 35 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1jh4 n HIS 36 N -4.17 -2.17 0.00 2.03 8.25 0.58 -4.96 115.22 114.77 1jh4 n HIS 36 Ca -0.51 0.91 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 1jh4 n HIS 36 Cb 0.88 -4.69 0.00 0.00 1.12 0.00 0.00 29.99 27.29 1jh4 n HIS 36 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1jh4 n PRO 37 N -4.35 0.00 -0.01 -0.41 -0.04 -1.26 -4.72 135.00 124.21 1jh4 n PRO 37 Ca -0.23 0.44 -0.01 0.00 -0.04 0.00 0.00 63.50 63.66 1jh4 n PRO 37 Cb 0.65 -1.38 -0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1jh4 n PRO 37 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1jh4 n THR 38 N -1.82 0.24 -3.15 0.52 -1.04 -1.26 -5.04 114.28 102.73 1jh4 n THR 38 Ca 0.00 0.45 0.04 0.00 -2.04 0.00 0.00 64.05 62.50 1jh4 n THR 38 Cb 0.00 -1.65 -0.01 0.00 -1.82 0.00 0.00 70.33 66.85 1jh4 n THR 38 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1jh4 s LEU 39 N -5.32 -1.16 0.22 -4.42 0.05 -1.26 -5.05 118.68 101.74 1jh4 s LEU 39 Ca -0.04 0.64 -0.08 0.00 0.05 0.00 0.00 54.13 54.70 1jh4 s LEU 39 Cb 0.01 1.94 0.36 0.00 -2.05 0.00 0.00 46.19 46.44 1jh4 s LEU 39 CO 0.06 -0.22 1.69 0.00 -0.55 0.00 0.00 176.35 177.33 1jh4 h ALA 40 N 7.97 0.77 0.29 1.48 0.00 -1.91 0.60 119.26 128.47 1jh4 h ALA 40 Ca -0.18 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1jh4 h ALA 40 Cb 1.17 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1jh4 h ALA 40 CO 0.15 -0.34 -0.18 0.78 0.00 0.00 0.00 179.25 179.66 1jh4 h GLY 41 N 0.22 -0.66 1.29 0.00 0.00 -1.93 -2.63 103.07 99.36 1jh4 h GLY 41 Ca 0.35 0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.84 1jh4 h GLY 41 CO -0.48 -0.23 -0.19 0.50 0.00 0.00 0.00 176.54 176.14 1jh4 h LYS 42 N -0.44 0.82 -0.99 4.80 1.57 -1.96 -3.05 116.57 117.33 1jh4 h LYS 42 Ca -0.04 -0.32 0.14 0.00 -1.87 0.00 0.00 60.65 58.56 1jh4 h LYS 42 Cb 0.35 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.53 1jh4 h LYS 42 CO 0.04 0.94 0.62 0.97 -0.57 0.00 0.00 179.45 181.45 1jh4 h ILE 43 N 0.72 0.86 -0.72 1.86 2.10 0.16 -1.65 117.51 120.84 1jh4 h ILE 43 Ca 0.11 -0.31 0.04 0.00 1.08 0.00 0.00 64.86 65.78 1jh4 h ILE 43 Cb 0.70 -0.12 -0.05 0.00 -1.09 0.00 0.00 36.82 36.27 1jh4 h ILE 43 CO 0.05 0.16 0.44 0.74 -1.08 0.00 0.00 178.15 178.47 1jh4 h THR 44 N 0.90 1.05 -0.32 2.19 2.02 -1.35 -1.53 112.91 115.88 1jh4 h THR 44 Ca 0.51 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 67.43 1jh4 h THR 44 Cb 0.61 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1jh4 h THR 44 CO -0.28 0.15 0.22 1.23 0.37 0.00 0.00 175.52 177.21 1jh4 h GLY 45 N 0.84 0.36 0.66 2.16 0.00 -1.39 -1.27 103.07 104.43 1jh4 h GLY 45 Ca 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 1jh4 h GLY 45 CO -0.14 0.11 -0.32 -0.33 0.00 0.00 0.00 176.54 175.87 1jh4 h MET 46 N 0.32 -0.85 0.00 4.80 2.07 -1.22 -2.89 114.93 117.16 1jh4 h MET 46 Ca 0.13 0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.82 1jh4 h MET 46 Cb 0.12 0.19 0.00 0.00 -1.87 0.00 0.00 31.60 30.05 1jh4 h MET 46 CO -0.03 -0.57 0.07 -0.07 1.07 0.00 0.00 176.91 177.39 1jh4 h LEU 47 N -1.18 0.00 -0.15 1.22 -0.00 -1.20 -2.40 115.31 111.60 1jh4 h LEU 47 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1jh4 h LEU 47 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1jh4 h LEU 47 CO 0.15 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.77 1jh4 n LEU 48 N -2.52 0.04 0.00 1.67 4.32 -0.50 -2.48 117.00 117.53 1jh4 n LEU 48 Ca -0.02 -0.02 0.12 0.00 -0.02 0.00 0.00 56.01 56.07 1jh4 n LEU 48 Cb 0.12 -0.02 0.55 0.00 -1.62 0.00 0.00 43.42 42.45 1jh4 n LEU 48 CO 0.12 0.01 0.90 -1.84 -1.22 0.00 0.00 177.39 175.36 1jh4 n GLU 49 N -0.37 0.10 -3.84 3.23 -0.00 -0.90 -4.80 120.64 114.06 1jh4 n GLU 49 Ca 0.00 0.07 -0.21 0.00 -0.00 0.00 0.00 57.16 57.02 1jh4 n GLU 49 Cb 0.01 -1.50 -0.02 0.00 -0.00 0.00 0.00 31.44 29.93 1jh4 n GLU 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 1jh4 s ILE 50 N -2.88 5.00 0.34 3.84 1.10 -1.04 -5.09 121.20 122.47 1jh4 s ILE 50 Ca 0.15 -0.97 -0.28 0.00 -0.51 0.00 0.00 60.65 59.04 1jh4 s ILE 50 Cb 0.16 -3.76 -0.09 0.00 0.15 0.00 0.00 42.46 38.92 1jh4 s ILE 50 CO 0.43 -0.30 1.16 -1.81 -2.11 0.00 0.00 174.94 172.31 1jh4 s ASP 51 N -4.02 6.90 0.39 4.50 1.01 -1.26 -4.88 116.67 119.31 1jh4 s ASP 51 Ca 0.37 2.37 0.17 0.00 0.71 0.00 0.00 52.55 56.16 1jh4 s ASP 51 Cb -0.09 -2.62 0.94 0.00 1.01 0.00 0.00 42.92 42.15 1jh4 s ASP 51 CO 0.30 -0.41 1.46 -1.13 0.21 0.00 0.00 175.17 175.59 1jh4 h ASN 52 N 3.27 0.00 0.52 0.27 -0.73 -1.98 0.19 115.58 117.12 1jh4 h ASN 52 Ca -0.48 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 57.53 1jh4 h ASN 52 Cb 1.22 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.80 1jh4 h ASN 52 CO 0.65 0.00 -0.72 0.77 -0.37 0.00 0.00 177.43 177.75 1jh4 h SER 53 N 0.00 0.20 0.64 1.15 4.64 -2.01 -3.17 113.55 115.00 1jh4 h SER 53 Ca 0.00 -0.14 -0.24 0.00 -0.47 0.00 0.00 61.79 60.94 1jh4 h SER 53 Cb 0.56 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1jh4 h SER 53 CO 0.00 0.86 -1.06 -0.08 -0.87 0.00 0.00 176.83 175.67 1jh4 h GLU 54 N 0.11 0.23 -0.66 4.77 4.57 -0.97 -3.14 114.58 119.48 1jh4 h GLU 54 Ca -0.02 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 57.82 1jh4 h GLU 54 Cb 1.28 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.95 1jh4 h GLU 54 CO 0.11 1.10 0.35 -0.07 -1.18 0.00 0.00 179.01 179.31 1jh4 h LEU 55 N 0.09 0.83 -0.71 1.64 3.38 -1.56 0.12 115.31 119.10 1jh4 h LEU 55 Ca -0.08 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1jh4 h LEU 55 Cb 1.76 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 1jh4 h LEU 55 CO 0.17 0.68 -0.18 -0.07 0.09 0.00 0.00 178.44 179.13 1jh4 h LEU 56 N 0.93 0.81 -0.21 1.67 3.38 -1.59 -1.64 115.31 118.66 1jh4 h LEU 56 Ca 0.23 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1jh4 h LEU 56 Cb 0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1jh4 h LEU 56 CO -0.04 0.98 -0.03 0.45 0.09 0.00 0.00 178.44 179.89 1jh4 h HIS 57 N 0.71 0.44 -0.10 1.13 3.86 -1.23 -2.36 115.15 117.60 1jh4 h HIS 57 Ca 0.11 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1jh4 h HIS 57 Cb 0.69 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 29.04 1jh4 h HIS 57 CO 0.04 0.62 0.03 0.00 0.86 0.00 0.00 177.93 179.48 1jh4 h MET 58 N 0.13 0.16 -0.32 2.45 -0.00 -0.73 -1.39 114.93 115.23 1jh4 h MET 58 Ca 0.06 -0.04 0.01 0.00 -0.00 0.00 0.00 59.70 59.73 1jh4 h MET 58 Cb 0.47 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.03 1jh4 h MET 58 CO 0.02 0.31 0.22 1.25 -0.00 0.00 0.00 176.91 178.71 1jh4 h LEU 59 N -0.02 0.34 -0.37 -0.10 6.46 -1.33 0.10 115.31 120.39 1jh4 h LEU 59 Ca 0.03 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1jh4 h LEU 59 Cb 0.22 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1jh4 h LEU 59 CO -0.00 0.24 -0.15 -1.84 -0.62 0.00 0.00 178.44 176.07 1jh4 n GLU 60 N -4.49 0.81 -3.50 1.25 -0.00 -0.89 -4.65 120.64 109.18 1jh4 n GLU 60 Ca 0.02 -0.37 -0.22 0.00 -0.00 0.00 0.00 57.16 56.59 1jh4 n GLU 60 Cb 0.10 -1.49 -0.13 0.00 -0.00 0.00 0.00 31.44 29.92 1jh4 n GLU 60 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1jh4 s SER 61 N -2.44 2.20 0.50 -1.84 0.01 0.35 -5.02 113.70 107.46 1jh4 s SER 61 Ca 0.28 -0.72 0.29 0.00 1.31 0.00 0.00 55.95 57.10 1jh4 s SER 61 Cb 0.20 0.13 1.38 0.00 0.21 0.00 0.00 66.02 67.93 1jh4 s SER 61 CO 0.48 -0.38 1.85 -0.65 0.41 0.00 0.00 173.24 174.95 1jh4 h PRO 62 N 8.34 0.12 0.11 12.44 0.11 -1.82 -0.23 132.00 151.07 1jh4 h PRO 62 Ca -0.17 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.96 1jh4 h PRO 62 Cb 1.09 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 1jh4 h PRO 62 CO 0.34 0.08 -0.27 1.05 -0.21 0.00 0.00 178.00 178.99 1jh4 h GLU 63 N 0.12 -0.46 0.01 1.05 4.11 -1.95 0.26 114.58 117.71 1jh4 h GLU 63 Ca 0.49 0.03 -0.19 0.00 0.07 0.00 0.00 59.36 59.76 1jh4 h GLU 63 Cb 1.72 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 31.05 1jh4 h GLU 63 CO -0.08 -0.31 -0.92 1.03 0.07 0.00 0.00 179.01 178.81 1jh4 h SER 64 N -0.48 0.04 0.62 3.06 0.87 -1.63 -3.03 113.55 113.02 1jh4 h SER 64 Ca 0.03 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1jh4 h SER 64 Cb 0.51 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1jh4 h SER 64 CO -0.17 0.94 -0.44 0.25 -0.53 0.00 0.00 176.83 176.88 1jh4 h LEU 65 N 0.01 -1.13 -2.03 2.23 7.12 -0.70 -1.99 115.31 118.83 1jh4 h LEU 65 Ca -0.02 0.07 -0.01 0.00 0.13 0.00 0.00 57.88 58.05 1jh4 h LEU 65 Cb 1.61 0.34 -0.00 0.00 -0.53 0.00 0.00 40.66 42.08 1jh4 h LEU 65 CO 0.12 -0.64 -0.04 -0.09 -0.13 0.00 0.00 178.44 177.66 1jh4 h ARG 66 N -1.01 0.00 -0.17 1.25 1.12 -1.07 -2.46 114.38 112.04 1jh4 h ARG 66 Ca -0.08 0.00 0.04 0.00 -1.11 0.00 0.00 59.98 58.83 1jh4 h ARG 66 Cb 0.82 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.74 1jh4 h ARG 66 CO 0.05 0.04 -0.10 1.03 -3.11 0.00 0.00 179.97 177.88 1jh4 h SER 67 N 0.00 -0.32 0.03 -3.80 0.87 -1.24 0.56 113.55 109.64 1jh4 h SER 67 Ca -0.00 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1jh4 h SER 67 Cb 0.08 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1jh4 h SER 67 CO 0.01 -0.13 -0.01 0.11 -0.53 0.00 0.00 176.83 176.27 1jh4 h LYS 68 N -0.09 -0.04 -0.00 2.24 1.79 -1.10 -3.04 116.57 116.33 1jh4 h LYS 68 Ca 0.10 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.59 1jh4 h LYS 68 Cb 0.24 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 1jh4 h LYS 68 CO -0.23 0.61 -0.12 0.28 -1.08 0.00 0.00 179.45 178.91 1jh4 h VAL 69 N -0.72 0.70 -0.60 0.50 2.07 -1.40 -1.84 116.25 114.95 1jh4 h VAL 69 Ca -0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1jh4 h VAL 69 Cb 0.66 0.70 -0.12 0.00 -1.52 0.00 0.00 31.29 31.01 1jh4 h VAL 69 CO 0.01 0.00 -0.18 -0.78 0.02 0.00 0.00 177.57 176.64 1jh4 h ASP 70 N -0.20 -0.64 -0.25 0.57 3.58 0.02 -0.18 116.42 119.32 1jh4 h ASP 70 Ca 0.04 0.19 0.06 0.00 0.42 0.00 0.00 57.03 57.74 1jh4 h ASP 70 Cb 0.26 0.40 -0.08 0.00 1.72 0.00 0.00 39.33 41.63 1jh4 h ASP 70 CO -0.12 -0.22 -0.38 -0.33 -2.88 0.00 0.00 179.24 175.31 1jh4 h GLU 71 N -0.03 -0.37 -0.73 0.28 3.07 -1.29 -1.57 114.58 113.95 1jh4 h GLU 71 Ca 0.28 0.03 0.13 0.00 -0.50 0.00 0.00 59.36 59.30 1jh4 h GLU 71 Cb 0.46 0.08 -0.13 0.00 -0.84 0.00 0.00 28.75 28.32 1jh4 h GLU 71 CO -0.63 -0.24 -0.28 0.00 -1.40 0.00 0.00 179.01 176.45 1jh4 h ALA 72 N 0.39 0.23 -0.85 3.43 0.00 -0.24 0.29 119.26 122.51 1jh4 h ALA 72 Ca 0.12 0.24 0.15 0.00 0.00 0.00 0.00 54.91 55.41 1jh4 h ALA 72 Cb 0.58 0.73 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 1jh4 h ALA 72 CO -0.46 -0.55 0.44 0.28 0.00 0.00 0.00 179.25 178.96 1jh4 h VAL 73 N -0.07 0.72 0.24 0.00 2.07 -0.70 1.53 116.25 120.05 1jh4 h VAL 73 Ca 0.31 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1jh4 h VAL 73 Cb 0.56 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1jh4 h VAL 73 CO -0.77 0.11 -0.12 0.00 0.02 0.00 0.00 177.57 176.81 1jh4 h ALA 74 N 1.56 -0.32 0.48 1.67 0.00 -0.23 -2.88 119.26 119.54 1jh4 h ALA 74 Ca 0.47 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1jh4 h ALA 74 Cb 0.67 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1jh4 h ALA 74 CO -0.37 -0.36 -0.23 -0.24 0.00 0.00 0.00 179.25 178.05 1jh4 h VAL 75 N -0.97 0.00 -0.06 0.00 3.04 -0.29 -2.83 116.25 115.15 1jh4 h VAL 75 Ca -0.03 -0.34 0.03 0.00 -1.01 0.00 0.00 66.70 65.35 1jh4 h VAL 75 Cb 0.47 0.00 -0.06 0.00 -2.01 0.00 0.00 31.29 29.69 1jh4 h VAL 75 CO 0.05 0.00 -0.43 0.25 -1.01 0.00 0.00 177.57 176.43 1jh4 h LEU 76 N -0.98 -1.33 -1.96 3.16 5.85 0.20 1.20 115.31 121.45 1jh4 h LEU 76 Ca -0.07 0.17 0.22 0.00 0.84 0.00 0.00 57.88 59.04 1jh4 h LEU 76 Cb 0.49 0.53 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1jh4 h LEU 76 CO 0.11 -0.45 0.61 -0.61 -0.34 0.00 0.00 178.44 177.76 1jh4 h GLN 77 N -0.55 0.00 0.00 1.25 5.75 -1.36 1.38 115.11 121.58 1jh4 h GLN 77 Ca 0.06 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1jh4 h GLN 77 Cb 0.65 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.20 1jh4 h GLN 77 CO -0.35 0.00 -0.11 0.00 -2.65 0.00 0.00 178.83 175.71 1jh4 h ALA 78 N 1.50 0.01 -0.73 3.38 0.00 -0.20 -3.38 119.26 119.84 1jh4 h ALA 78 Ca 0.36 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1jh4 h ALA 78 Cb 1.58 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 1jh4 h ALA 78 CO -0.00 0.10 0.25 1.25 0.00 0.00 0.00 179.25 180.84 1jh4 h HIS 79 N -1.00 1.16 -0.00 0.00 2.76 0.20 -3.31 115.15 114.96 1jh4 h HIS 79 Ca -0.01 -0.11 -0.70 0.00 -2.20 0.00 0.00 60.37 57.35 1jh4 h HIS 79 Cb 0.24 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 1jh4 h HIS 79 CO 0.01 0.91 3.06 0.94 -1.30 0.00 0.00 177.93 181.54 1jh4 n GLN 80 N -4.29 2.72 -2.71 5.26 -0.06 0.47 -4.46 117.38 114.30 1jh4 n GLN 80 Ca 0.06 -2.53 -0.09 0.00 -2.00 0.00 0.00 57.00 52.44 1jh4 n GLN 80 Cb 0.21 -3.25 0.05 0.00 -4.06 0.00 0.00 30.24 23.19 1jh4 n GLN 80 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1jh4 n ALA 81 N 6.24 2.52 -0.06 1.69 0.00 -1.25 -4.79 120.51 124.86 1jh4 n ALA 81 Ca 0.52 -2.56 0.00 0.00 0.00 0.00 0.00 53.44 51.40 1jh4 n ALA 81 Cb 0.39 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1jh4 n ALA 81 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jh4 n LYS 82 N -0.17 0.00 -3.12 0.00 5.02 -1.26 -4.37 118.16 114.25 1jh4 n LYS 82 Ca 0.07 0.47 -0.45 0.00 -2.02 0.00 0.00 58.31 56.38 1jh4 n LYS 82 Cb 0.81 -1.28 -0.02 0.00 -0.02 0.00 0.00 35.03 34.52 1jh4 n LYS 82 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1jh4 s GLU 83 N -2.15 3.76 1.42 1.97 2.02 -1.26 -5.04 118.70 119.42 1jh4 s GLU 83 Ca 0.00 -2.32 -0.22 0.00 0.02 0.00 0.00 54.97 52.45 1jh4 s GLU 83 Cb 0.00 -4.73 0.37 0.00 0.10 0.00 0.00 34.13 29.87 1jh4 s GLU 83 CO 0.00 -1.54 0.93 0.00 0.02 0.00 0.00 175.26 174.67 1jh4 s ALA 84 N 1.13 -0.82 -0.90 5.21 0.00 -1.26 -4.88 121.76 120.23 1jh4 s ALA 84 Ca 0.29 -0.74 -0.22 0.00 0.00 0.00 0.00 51.96 51.28 1jh4 s ALA 84 Cb -0.07 -2.98 0.07 0.00 0.00 0.00 0.00 23.12 20.15 1jh4 s ALA 84 CO -0.08 -4.61 1.26 0.00 0.00 0.00 0.00 175.76 172.33 1jh4 s ALA 85 N -2.24 2.96 -1.79 0.00 0.00 -1.26 -4.81 121.76 114.62 1jh4 s ALA 85 Ca 0.68 -2.21 0.31 0.00 0.00 0.00 0.00 51.96 50.74 1jh4 s ALA 85 Cb -0.15 -4.26 1.74 0.00 0.00 0.00 0.00 23.12 20.46 1jh4 s ALA 85 CO 0.59 -3.27 2.15 1.04 0.00 0.00 0.00 175.76 176.27 1jh4 n GLN 86 N 8.12 0.79 -2.63 0.00 3.00 -1.26 -4.66 117.38 120.75 1jh4 n GLN 86 Ca 0.21 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.76 1jh4 n GLN 86 Cb 0.49 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.20 1jh4 n GLN 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1jh4 s LYS 87 N -2.22 3.38 0.10 -1.09 3.01 -1.26 -4.99 119.74 116.66 1jh4 s LYS 87 Ca 0.40 -0.82 -0.30 0.00 -1.01 0.00 0.00 55.97 54.25 1jh4 s LYS 87 Cb 0.21 -4.74 -0.05 0.00 -1.01 0.00 0.00 37.83 32.24 1jh4 s LYS 87 CO 0.41 -2.10 0.97 0.00 0.51 0.00 0.00 175.35 175.14 1jh4 s ALA 88 N 4.93 3.24 -0.10 5.17 0.00 -1.26 -5.03 121.76 128.71 1jh4 s ALA 88 Ca 0.38 0.58 -0.23 0.00 0.00 0.00 0.00 51.96 52.69 1jh4 s ALA 88 Cb -0.05 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1jh4 s ALA 88 CO 0.02 -0.07 0.68 0.08 0.00 0.00 0.00 175.76 176.47 1jh4 s VAL 89 N 0.16 5.04 0.52 0.00 1.01 -1.26 -5.07 120.40 120.80 1jh4 s VAL 89 Ca 0.48 1.38 -0.08 0.00 0.00 0.00 0.00 61.98 63.75 1jh4 s VAL 89 Cb -0.23 -4.01 0.12 0.00 0.00 0.00 0.00 36.38 32.25 1jh4 s VAL 89 CO 0.30 0.22 0.71 0.59 0.00 0.00 0.00 175.10 176.91 1jh4 n ASN 90 N 4.11 0.09 -0.05 3.32 3.02 -1.26 -5.03 115.26 119.46 1jh4 n ASN 90 Ca -0.01 -1.28 -0.15 0.00 -0.03 0.00 0.00 54.58 53.10 1jh4 n ASN 90 Cb 0.51 -0.54 -0.14 0.00 -0.61 0.00 0.00 39.78 39.00 1jh4 n ASN 90 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1jh4 n SER 91 N -3.44 1.43 -4.73 6.41 2.88 -1.26 -4.95 113.62 109.96 1jh4 n SER 91 Ca 0.09 0.16 -0.33 0.00 -1.33 0.00 0.00 58.87 57.46 1jh4 n SER 91 Cb 0.31 -0.27 0.09 0.00 -0.75 0.00 0.00 64.21 63.60 1jh4 n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jh4 s ALA 92 N -2.55 2.11 -1.11 -1.46 0.00 -1.26 -4.95 121.76 112.54 1jh4 s ALA 92 Ca -0.18 0.66 -0.05 0.00 0.00 0.00 0.00 51.96 52.38 1jh4 s ALA 92 Cb 0.07 -3.40 0.29 0.00 0.00 0.00 0.00 23.12 20.08 1jh4 s ALA 92 CO 0.76 -1.87 1.51 2.41 0.00 0.00 0.00 175.76 178.57 1jh4 n THR 93 N -3.02 5.15 -3.71 0.00 -1.04 -1.26 -4.99 114.28 105.40 1jh4 n THR 93 Ca 0.12 -5.68 -0.37 0.00 -2.04 0.00 0.00 64.05 56.08 1jh4 n THR 93 Cb 0.51 -2.16 -0.11 0.00 -1.82 0.00 0.00 70.33 66.76 1jh4 n THR 93 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1jh4 s GLY 94 N -1.14 1.91 -0.09 3.41 0.00 -1.26 -5.08 107.32 105.06 1jh4 s GLY 94 Ca 0.32 -0.99 -0.20 0.00 0.00 0.00 0.00 44.72 43.86 1jh4 s GLY 94 CO 0.08 0.46 0.54 -1.34 0.00 0.00 0.00 173.10 172.84 1jh4 s VAL 95 N 1.32 5.12 0.99 1.40 -7.23 -1.26 -5.07 120.40 115.67 1jh4 s VAL 95 Ca 0.06 1.10 -0.12 0.00 -1.81 0.00 0.00 61.98 61.21 1jh4 s VAL 95 Cb -0.15 -3.88 0.18 0.00 0.56 0.00 0.00 36.38 33.10 1jh4 s VAL 95 CO 0.06 0.33 1.09 -2.16 -0.31 0.00 0.00 175.10 174.11 1jh4 s PRO 96 N 0.51 0.50 -1.24 4.82 0.04 -1.26 -4.93 135.00 133.43 1jh4 s PRO 96 Ca 0.29 0.62 -0.14 0.00 0.04 0.00 0.00 61.00 61.80 1jh4 s PRO 96 Cb -0.16 -1.74 0.15 0.00 0.04 0.00 0.00 34.50 32.79 1jh4 s PRO 96 CO 0.13 -2.71 1.56 2.41 0.04 0.00 0.00 177.00 178.43 1jh4 n THR 97 N -4.17 4.18 -0.11 1.26 -1.04 -1.26 -5.35 114.28 107.79 1jh4 n THR 97 Ca 0.05 -4.53 0.00 0.00 -2.04 0.00 0.00 64.05 57.53 1jh4 n THR 97 Cb 0.56 -2.44 0.00 0.00 -1.82 0.00 0.00 70.33 66.64 1jh4 n THR 97 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98