#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 -2.21 -0.04 1.61 -0.04 -1.26 -5.01 135.00 128.05 1jh4 n PRO 2 Ca 0.00 -1.25 -0.13 0.00 -0.04 0.00 0.00 63.50 62.08 1jh4 n PRO 2 Cb 0.00 -1.11 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 1jh4 n PRO 2 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 1jh4 h LEU 3 N 0.00 -0.02-10.22 1.53 8.10 -2.10 -3.46 115.31 109.14 1jh4 h LEU 3 Ca -0.29 -0.74 -0.48 0.00 0.11 0.00 0.00 57.88 56.48 1jh4 h LEU 3 Cb 0.86 0.01 0.01 0.00 -0.44 0.00 0.00 40.66 41.10 1jh4 h LEU 3 CO 0.19 0.76 -0.18 -0.83 -4.11 0.00 0.00 178.44 174.28 1jh4 s GLY 4 N -3.79 1.41 -0.18 0.17 0.00 -1.26 -5.05 107.32 98.62 1jh4 s GLY 4 Ca -0.17 -0.85 -0.16 0.00 0.00 0.00 0.00 44.72 43.54 1jh4 s GLY 4 CO 0.63 -0.78 0.05 1.76 0.00 0.00 0.00 173.10 174.76 1jh4 h SER 5 N 0.86 0.00 -1.37 1.64 0.02 -2.03 -3.45 113.55 109.21 1jh4 h SER 5 Ca -0.49 -0.29 -0.59 0.00 -0.84 0.00 0.00 61.79 59.58 1jh4 h SER 5 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1jh4 h SER 5 CO 0.62 1.18 1.51 -2.65 -1.14 0.00 0.00 176.83 176.36 1jh4 n PRO 6 N -4.51 1.25 -3.84 3.45 -0.02 -1.26 -4.94 135.00 125.13 1jh4 n PRO 6 Ca -0.22 0.28 -0.35 0.00 -2.02 0.00 0.00 63.50 61.19 1jh4 n PRO 6 Cb 0.51 -2.82 -0.08 0.00 -0.02 0.00 0.00 33.50 31.09 1jh4 n PRO 6 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jh4 s LEU 7 N 8.77 4.18 -0.05 2.45 1.98 -1.26 -5.00 118.68 129.75 1jh4 s LEU 7 Ca 1.07 0.27 -0.01 0.00 -2.89 0.00 0.00 54.13 52.56 1jh4 s LEU 7 Cb -0.59 -2.06 -0.26 0.00 0.66 0.00 0.00 46.19 43.94 1jh4 s LEU 7 CO 0.40 0.25 0.63 0.71 -1.89 0.00 0.00 176.35 176.46 1jh4 h THR 8 N 4.49 0.89 0.00 3.68 1.35 -1.98 -2.92 112.91 118.43 1jh4 h THR 8 Ca -0.45 -2.60 0.00 0.00 -0.55 0.00 0.00 66.41 62.81 1jh4 h THR 8 Cb 1.18 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 70.19 1jh4 h THR 8 CO 0.70 0.78 0.00 0.00 -0.25 0.00 0.00 175.52 176.74 1jh4 n ALA 9 N -2.77 -0.47 0.24 6.62 0.00 -1.26 -2.18 120.51 120.70 1jh4 n ALA 9 Ca -0.22 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.39 1jh4 n ALA 9 Cb 1.05 0.01 0.88 0.00 0.00 0.00 0.00 19.45 21.39 1jh4 n ALA 9 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jh4 h SER 10 N 0.00 0.00 -0.77 0.00 0.87 -1.98 -0.48 113.55 111.18 1jh4 h SER 10 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1jh4 h SER 10 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1jh4 h SER 10 CO 0.00 0.00 0.29 -0.03 -0.53 0.00 0.00 176.83 176.56 1jh4 h MET 11 N 0.00 1.17 0.84 2.24 1.85 -1.30 -0.12 114.93 119.62 1jh4 h MET 11 Ca 0.06 -0.23 -0.04 0.00 -0.61 0.00 0.00 59.70 58.88 1jh4 h MET 11 Cb 0.41 -0.18 0.01 0.00 0.43 0.00 0.00 31.60 32.27 1jh4 h MET 11 CO -0.00 0.97 -0.41 1.25 -0.40 0.00 0.00 176.91 178.32 1jh4 h LEU 12 N 1.13 -0.96 0.00 3.39 7.12 -0.57 -1.69 115.31 123.73 1jh4 h LEU 12 Ca 0.26 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.30 1jh4 h LEU 12 Cb 0.25 0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 1jh4 h LEU 12 CO -0.02 -0.69 0.00 0.00 -0.13 0.00 0.00 178.44 177.61 1jh4 n ALA 13 N -2.58 2.08 0.07 1.25 0.00 -1.15 -2.16 120.51 118.03 1jh4 n ALA 13 Ca -0.15 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.36 1jh4 n ALA 13 Cb 0.45 -1.10 0.23 0.00 0.00 0.00 0.00 19.45 19.03 1jh4 n ALA 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jh4 n SER 14 N -0.68 3.50 -4.06 0.00 2.88 -0.07 -4.95 113.62 110.24 1jh4 n SER 14 Ca 0.05 -1.97 -0.14 0.00 -1.33 0.00 0.00 58.87 55.48 1jh4 n SER 14 Cb 0.02 -0.31 -0.12 0.00 -0.75 0.00 0.00 64.21 63.06 1jh4 n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jh4 s ALA 15 N -1.28 0.61 0.86 -1.46 0.00 -0.92 -5.03 121.76 114.55 1jh4 s ALA 15 Ca 0.39 -0.71 -0.16 0.00 0.00 0.00 0.00 51.96 51.48 1jh4 s ALA 15 Cb 0.22 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1jh4 s ALA 15 CO 0.30 0.02 -0.59 -2.30 0.00 0.00 0.00 175.76 173.19 1jh4 n PRO 16 N 1.66 -0.58 0.00 0.00 -0.01 -1.26 -4.64 135.00 130.17 1jh4 n PRO 16 Ca -0.21 -0.17 0.00 0.00 -0.01 0.00 0.00 63.50 63.11 1jh4 n PRO 16 Cb 0.55 -1.16 0.00 0.00 -0.01 0.00 0.00 33.50 32.88 1jh4 n PRO 16 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 1jh4 n PRO 17 N 1.08 0.00 0.29 0.52 -0.02 -1.26 -1.83 135.00 133.78 1jh4 n PRO 17 Ca 0.00 0.49 0.19 0.00 -2.02 0.00 0.00 63.50 62.16 1jh4 n PRO 17 Cb 0.44 -1.19 1.01 0.00 -0.02 0.00 0.00 33.50 33.74 1jh4 n PRO 17 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1jh4 h GLN 18 N 0.00 0.00 -1.56 -0.52 -0.00 -2.02 -2.26 115.11 108.75 1jh4 h GLN 18 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.50 1jh4 h GLN 18 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 27.48 27.41 1jh4 h GLN 18 CO 0.00 0.00 0.19 0.39 -0.00 0.00 0.00 178.83 179.41 1jh4 n GLU 19 N -2.83 1.37 0.00 0.06 1.02 -0.76 -4.49 120.64 115.01 1jh4 n GLU 19 Ca -0.02 -0.76 0.00 0.00 -0.02 0.00 0.00 57.16 56.36 1jh4 n GLU 19 Cb 0.10 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1jh4 n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jh4 n GLN 20 N 0.71 0.00 0.00 3.49 10.64 -0.85 -4.09 117.38 127.28 1jh4 n GLN 20 Ca 0.15 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.32 1jh4 n GLN 20 Cb 0.60 -0.42 0.00 0.00 -0.86 0.00 0.00 30.24 29.56 1jh4 n GLN 20 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1jh4 n LYS 21 N -0.20 0.92 0.30 2.61 4.76 -1.26 -4.18 118.16 121.12 1jh4 n LYS 21 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 1jh4 n LYS 21 Cb 0.00 -1.28 -0.06 0.00 -1.84 0.00 0.00 35.03 31.86 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 0.05 -0.75 0.00 1.97 -0.00 -1.75 -3.20 115.11 111.43 1jh4 h GLN 22 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1jh4 h GLN 22 Cb 0.28 0.17 0.00 0.00 0.00 0.00 0.00 27.48 27.93 1jh4 h GLN 22 CO 0.00 -0.50 0.00 -1.33 0.00 0.00 0.00 178.83 177.00 1jh4 n MET 23 N -4.37 0.00 -0.21 1.69 0.00 -1.26 -3.65 117.12 109.32 1jh4 n MET 23 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.55 1jh4 n MET 23 Cb 0.31 -0.40 -0.01 0.00 0.00 0.00 0.00 33.22 33.11 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 1.37 0.00 4.03 -0.00 -1.26 -4.89 117.00 116.25 1jh4 n LEU 24 Ca 0.00 -1.47 0.00 0.00 -0.00 0.00 0.00 56.01 54.54 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 -0.62 0.00 0.61 -0.00 0.00 0.00 177.39 177.38 1jh4 n GLY 25 N 3.79 0.50 0.00 1.47 0.00 -1.21 -4.21 105.19 105.53 1jh4 n GLY 25 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 2.92 0.00 0.00 1.61 -0.00 -1.26 -4.31 120.64 119.60 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 -0.42 0.00 0.00 -0.00 0.00 0.00 31.44 31.02 1jh4 n GLU 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1jh4 n ARG 27 N -0.27 0.12 -0.03 3.44 5.12 -1.26 -4.89 116.66 118.89 1jh4 n ARG 27 Ca 0.00 -0.51 -0.14 0.00 -1.93 0.00 0.00 57.85 55.26 1jh4 n ARG 27 Cb 0.00 -0.52 -0.11 0.00 -1.16 0.00 0.00 32.46 30.67 1jh4 n ARG 27 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1jh4 h LEU 28 N 0.00 0.13 -0.75 0.55 3.38 -1.87 -3.21 115.31 113.54 1jh4 h LEU 28 Ca 0.00 -0.74 0.17 0.00 0.09 0.00 0.00 57.88 57.40 1jh4 h LEU 28 Cb 0.95 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.53 1jh4 h LEU 28 CO 0.00 0.85 0.03 0.15 0.09 0.00 0.00 178.44 179.56 1jh4 h PHE 29 N -0.57 -0.00 -0.53 1.13 3.57 -1.82 0.31 116.94 119.03 1jh4 h PHE 29 Ca -0.01 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1jh4 h PHE 29 Cb 0.87 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1jh4 h PHE 29 CO 0.18 -0.22 0.30 -1.35 -2.23 0.00 0.00 178.31 174.99 1jh4 h PRO 30 N 0.12 0.57 -0.28 6.41 0.11 -1.86 0.87 132.00 137.94 1jh4 h PRO 30 Ca 0.41 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.41 1jh4 h PRO 30 Cb 0.72 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1jh4 h PRO 30 CO -0.64 0.38 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.35 1jh4 h LEU 31 N 0.59 0.58 -0.49 2.35 3.38 -0.99 -2.96 115.31 117.77 1jh4 h LEU 31 Ca 0.22 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 1jh4 h LEU 31 Cb 0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1jh4 h LEU 31 CO -0.12 0.84 -0.15 -0.29 0.09 0.00 0.00 178.44 178.82 1jh4 h ILE 32 N 0.32 1.27 -0.93 1.22 6.09 -0.25 -2.56 117.51 122.67 1jh4 h ILE 32 Ca 0.07 -1.29 0.26 0.00 -1.37 0.00 0.00 64.86 62.52 1jh4 h ILE 32 Cb 0.60 1.09 -0.14 0.00 0.47 0.00 0.00 36.82 38.85 1jh4 h ILE 32 CO 0.04 0.45 0.39 -0.61 -3.07 0.00 0.00 178.15 175.35 1jh4 h GLN 33 N 0.81 0.31 -0.41 2.19 4.15 0.87 2.01 115.11 125.04 1jh4 h GLN 33 Ca 0.12 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.54 1jh4 h GLN 33 Cb 0.71 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.31 1jh4 h GLN 33 CO 0.05 0.20 0.27 0.00 -1.93 0.00 0.00 178.83 177.43 1jh4 h ALA 34 N 1.78 1.78 0.00 3.38 0.00 -1.30 -3.30 119.26 121.60 1jh4 h ALA 34 Ca 0.61 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 55.27 1jh4 h ALA 34 Cb 1.26 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1jh4 h ALA 34 CO -0.60 0.19 -1.72 -1.33 0.00 0.00 0.00 179.25 175.79 1jh4 n MET 35 N -4.48 0.56 -3.47 0.00 2.81 0.31 -5.04 117.12 107.81 1jh4 n MET 35 Ca 0.04 0.26 -0.18 0.00 -1.81 0.00 0.00 57.70 56.01 1jh4 n MET 35 Cb 0.11 -1.48 0.08 0.00 -0.71 0.00 0.00 33.22 31.22 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 -4.37 -2.18 0.00 2.03 8.25 0.60 -4.98 115.22 114.58 1jh4 n HIS 36 Ca -0.34 0.93 0.00 0.00 -0.26 0.00 0.00 57.72 58.06 1jh4 n HIS 36 Cb 0.69 -5.00 0.00 0.00 1.12 0.00 0.00 29.99 26.79 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 -4.18 0.00 -0.09 -0.41 -0.04 -1.26 -4.72 135.00 124.29 1jh4 n PRO 37 Ca -0.28 0.28 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1jh4 n PRO 37 Cb 0.67 -1.17 -0.04 0.00 -0.04 0.00 0.00 33.50 32.91 1jh4 n PRO 37 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1jh4 n THR 38 N -1.34 1.49 -3.15 0.52 5.66 -1.26 -5.03 114.28 111.17 1jh4 n THR 38 Ca 0.00 0.07 0.05 0.00 -3.05 0.00 0.00 64.05 61.12 1jh4 n THR 38 Cb 0.00 -2.27 -0.01 0.00 -1.55 0.00 0.00 70.33 66.49 1jh4 n THR 38 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1jh4 s LEU 39 N -7.93 -0.68 0.14 1.09 1.43 -1.26 -5.05 118.68 106.42 1jh4 s LEU 39 Ca -0.27 0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 53.07 1jh4 s LEU 39 Cb 0.05 1.57 0.01 0.00 0.03 0.00 0.00 46.19 47.85 1jh4 s LEU 39 CO 0.40 -0.13 1.76 0.00 0.23 0.00 0.00 176.35 178.61 1jh4 h ALA 40 N 7.98 0.34 0.09 4.21 0.00 -1.91 1.06 119.26 131.03 1jh4 h ALA 40 Ca -0.15 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1jh4 h ALA 40 Cb 1.17 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1jh4 h ALA 40 CO -0.01 -0.28 -0.21 0.78 0.00 0.00 0.00 179.25 179.53 1jh4 h GLY 41 N 0.25 -0.36 1.28 0.00 0.00 -1.97 -1.98 103.07 100.28 1jh4 h GLY 41 Ca 0.13 0.24 -0.19 0.00 0.00 0.00 0.00 47.33 47.51 1jh4 h GLY 41 CO -0.12 -0.19 -0.64 0.50 0.00 0.00 0.00 176.54 176.09 1jh4 h LYS 42 N -0.38 0.74 -0.52 4.80 1.57 -1.95 -3.25 116.57 117.58 1jh4 h LYS 42 Ca 0.03 -0.52 0.08 0.00 -1.87 0.00 0.00 60.65 58.37 1jh4 h LYS 42 Cb 0.41 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 1jh4 h LYS 42 CO -0.13 1.14 0.18 0.97 -0.57 0.00 0.00 179.45 181.04 1jh4 h ILE 43 N 0.54 0.80 -0.70 1.86 2.10 0.13 -2.07 117.51 120.18 1jh4 h ILE 43 Ca -0.01 -0.12 0.15 0.00 1.08 0.00 0.00 64.86 65.96 1jh4 h ILE 43 Cb 1.24 0.42 -0.11 0.00 -1.09 0.00 0.00 36.82 37.28 1jh4 h ILE 43 CO 0.13 0.06 0.12 0.74 -1.08 0.00 0.00 178.15 178.12 1jh4 h THR 44 N 0.35 0.50 -0.88 2.19 2.02 -1.39 0.16 112.91 115.87 1jh4 h THR 44 Ca 0.25 -0.07 0.10 0.00 0.77 0.00 0.00 66.41 67.46 1jh4 h THR 44 Cb 0.29 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 66.90 1jh4 h THR 44 CO -0.27 0.04 0.57 1.23 0.37 0.00 0.00 175.52 177.46 1jh4 h GLY 45 N 0.22 1.24 0.32 2.16 0.00 -1.47 0.46 103.07 106.00 1jh4 h GLY 45 Ca 0.39 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1jh4 h GLY 45 CO -0.52 0.18 -0.07 -0.33 0.00 0.00 0.00 176.54 175.80 1jh4 h MET 46 N 0.83 -0.20 -0.01 4.80 2.07 -0.70 -3.16 114.93 118.56 1jh4 h MET 46 Ca 0.41 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 58.06 1jh4 h MET 46 Cb 0.46 0.04 -0.00 0.00 -1.87 0.00 0.00 31.60 30.23 1jh4 h MET 46 CO -0.18 0.23 0.07 -0.07 1.07 0.00 0.00 176.91 178.04 1jh4 h LEU 47 N -0.89 0.00 -1.31 1.22 -0.00 -0.83 -2.95 115.31 110.55 1jh4 h LEU 47 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1jh4 h LEU 47 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 1jh4 h LEU 47 CO 0.03 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.65 1jh4 n LEU 48 N -3.14 0.19 0.07 1.67 4.32 0.13 -3.35 117.00 116.88 1jh4 n LEU 48 Ca -0.03 -0.09 0.12 0.00 -0.02 0.00 0.00 56.01 55.99 1jh4 n LEU 48 Cb 0.14 -0.06 0.46 0.00 -1.62 0.00 0.00 43.42 42.34 1jh4 n LEU 48 CO 0.20 0.04 0.86 1.21 -1.22 0.00 0.00 177.39 178.48 1jh4 n GLU 49 N 0.60 0.13 -3.81 3.23 2.13 -1.12 -4.82 120.64 116.98 1jh4 n GLU 49 Ca 0.00 0.24 -0.24 0.00 0.66 0.00 0.00 57.16 57.82 1jh4 n GLU 49 Cb 0.04 -1.70 -0.03 0.00 0.27 0.00 0.00 31.44 30.02 1jh4 n GLU 49 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1jh4 s ILE 50 N -3.12 2.21 0.39 6.31 1.10 -1.21 -5.12 121.20 121.76 1jh4 s ILE 50 Ca 0.09 -1.48 -0.25 0.00 -0.51 0.00 0.00 60.65 58.50 1jh4 s ILE 50 Cb 0.12 -2.69 -0.09 0.00 0.15 0.00 0.00 42.46 39.96 1jh4 s ILE 50 CO 0.45 0.00 1.08 -1.81 -2.11 0.00 0.00 174.94 172.55 1jh4 s ASP 51 N -4.13 6.75 0.62 4.50 1.01 -1.26 -4.90 116.67 119.25 1jh4 s ASP 51 Ca 0.42 2.12 0.25 0.00 0.71 0.00 0.00 52.55 56.05 1jh4 s ASP 51 Cb -0.01 -2.60 1.21 0.00 1.01 0.00 0.00 42.92 42.54 1jh4 s ASP 51 CO 0.24 -0.50 1.67 -1.13 0.21 0.00 0.00 175.17 175.66 1jh4 h ASN 52 N 2.65 0.00 0.42 0.27 -1.24 -1.99 0.22 115.58 115.90 1jh4 h ASN 52 Ca -0.48 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.35 1jh4 h ASN 52 Cb 1.22 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.26 1jh4 h ASN 52 CO 0.63 0.00 -0.73 0.28 -1.29 0.00 0.00 177.43 176.31 1jh4 h SER 53 N 0.00 0.31 -0.00 1.15 0.02 -2.00 -2.91 113.55 110.12 1jh4 h SER 53 Ca 0.18 -0.21 -0.15 0.00 -0.84 0.00 0.00 61.79 60.77 1jh4 h SER 53 Cb 1.49 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.94 1jh4 h SER 53 CO -0.00 0.94 -0.59 -0.08 -1.14 0.00 0.00 176.83 175.96 1jh4 h GLU 54 N 0.17 0.40 0.00 3.45 4.57 -0.92 -3.12 114.58 119.13 1jh4 h GLU 54 Ca -0.03 -0.43 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 1jh4 h GLU 54 Cb 1.30 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 30.01 1jh4 h GLU 54 CO 0.12 1.10 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.92 1jh4 h LEU 55 N -0.12 0.00 -0.43 1.64 3.38 -1.60 -0.67 115.31 117.52 1jh4 h LEU 55 Ca -0.07 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1jh4 h LEU 55 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1jh4 h LEU 55 CO 0.12 0.05 -0.17 -0.07 0.09 0.00 0.00 178.44 178.46 1jh4 h LEU 56 N 0.00 0.89 -1.05 1.67 3.38 -1.49 -2.92 115.31 115.78 1jh4 h LEU 56 Ca -0.00 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.65 1jh4 h LEU 56 Cb 0.13 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 1jh4 h LEU 56 CO 0.01 1.08 0.63 0.45 0.09 0.00 0.00 178.44 180.69 1jh4 h HIS 57 N 0.69 1.15 -0.39 1.13 3.86 -1.06 -2.08 115.15 118.45 1jh4 h HIS 57 Ca 0.10 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.38 1jh4 h HIS 57 Cb 0.72 -0.38 -0.04 0.00 1.06 0.00 0.00 27.41 28.77 1jh4 h HIS 57 CO 0.05 0.59 0.16 0.52 0.86 0.00 0.00 177.93 180.12 1jh4 h MET 58 N 1.13 0.33 0.00 2.45 2.86 -1.30 0.78 114.93 121.17 1jh4 h MET 58 Ca 0.42 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 58.04 1jh4 h MET 58 Cb 0.19 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 1jh4 h MET 58 CO -0.17 0.22 -0.01 1.25 1.06 0.00 0.00 176.91 179.26 1jh4 h LEU 59 N 0.34 0.00 0.00 1.22 6.46 -1.32 0.14 115.31 122.14 1jh4 h LEU 59 Ca 0.17 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1jh4 h LEU 59 Cb 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1jh4 h LEU 59 CO -0.15 0.01 -1.02 -0.62 -0.62 0.00 0.00 178.44 176.04 1jh4 n GLU 60 N -3.60 0.25 -3.46 1.25 1.02 -0.29 -4.76 120.64 111.06 1jh4 n GLU 60 Ca -0.03 -0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 56.87 1jh4 n GLU 60 Cb 0.09 -1.57 -0.12 0.00 -0.02 0.00 0.00 31.44 29.82 1jh4 n GLU 60 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1jh4 s SER 61 N -3.77 2.48 0.56 1.62 0.01 0.11 -5.01 113.70 109.70 1jh4 s SER 61 Ca 0.04 -1.23 0.29 0.00 1.31 0.00 0.00 55.95 56.37 1jh4 s SER 61 Cb 0.15 0.08 1.46 0.00 0.21 0.00 0.00 66.02 67.92 1jh4 s SER 61 CO 0.81 -0.38 1.91 -0.65 0.41 0.00 0.00 173.24 175.33 1jh4 h PRO 62 N 8.03 0.00 0.51 12.44 0.11 -1.85 -1.35 132.00 149.89 1jh4 h PRO 62 Ca -0.11 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1jh4 h PRO 62 Cb 1.04 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1jh4 h PRO 62 CO 0.35 0.00 -0.45 1.05 -0.21 0.00 0.00 178.00 178.74 1jh4 h GLU 63 N 0.00 -0.91 -0.04 1.05 -0.00 -1.95 0.62 114.58 113.35 1jh4 h GLU 63 Ca 0.31 0.06 -0.15 0.00 -0.00 0.00 0.00 59.36 59.58 1jh4 h GLU 63 Cb 1.38 0.21 -0.01 0.00 -0.00 0.00 0.00 28.75 30.32 1jh4 h GLU 63 CO -0.00 -0.61 -0.66 1.03 -0.00 0.00 0.00 179.01 178.77 1jh4 h SER 64 N -0.95 0.21 0.55 3.06 0.87 -1.79 -3.06 113.55 112.45 1jh4 h SER 64 Ca -0.06 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 1jh4 h SER 64 Cb 0.82 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 1jh4 h SER 64 CO -0.03 0.81 -0.44 0.25 -0.53 0.00 0.00 176.83 176.89 1jh4 h LEU 65 N 0.13 -1.16 -1.85 2.23 7.12 -0.99 -2.09 115.31 118.71 1jh4 h LEU 65 Ca -0.01 0.08 0.03 0.00 0.13 0.00 0.00 57.88 58.11 1jh4 h LEU 65 Cb 1.18 0.37 -0.01 0.00 -0.53 0.00 0.00 40.66 41.67 1jh4 h LEU 65 CO 0.10 -0.63 0.16 -0.09 -0.13 0.00 0.00 178.44 177.85 1jh4 h ARG 66 N -0.97 0.20 -0.63 1.25 1.12 -0.94 -2.08 114.38 112.32 1jh4 h ARG 66 Ca -0.06 -0.01 0.10 0.00 -1.11 0.00 0.00 59.98 58.89 1jh4 h ARG 66 Cb 0.82 -0.04 -0.07 0.00 -0.01 0.00 0.00 29.97 30.66 1jh4 h ARG 66 CO 0.00 0.13 0.24 0.77 -3.11 0.00 0.00 179.97 178.01 1jh4 h SER 67 N 0.20 0.25 0.01 -3.80 0.02 -1.28 0.19 113.55 109.14 1jh4 h SER 67 Ca 0.10 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1jh4 h SER 67 Cb 0.14 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1jh4 h SER 67 CO -0.02 0.14 -0.11 0.11 -1.14 0.00 0.00 176.83 175.82 1jh4 h LYS 68 N 0.43 0.05 0.17 3.45 1.79 -1.12 -3.09 116.57 118.25 1jh4 h LYS 68 Ca 0.32 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.73 1jh4 h LYS 68 Cb 0.40 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 1jh4 h LYS 68 CO -0.32 0.94 -0.26 0.28 -1.08 0.00 0.00 179.45 179.01 1jh4 h VAL 69 N -0.80 0.43 -0.29 0.50 2.07 -1.30 -1.17 116.25 115.69 1jh4 h VAL 69 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.57 1jh4 h VAL 69 Cb 0.99 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 31.11 1jh4 h VAL 69 CO 0.02 0.00 -0.29 -0.78 0.02 0.00 0.00 177.57 176.54 1jh4 h ASP 70 N -0.50 -0.94 -0.00 0.57 3.58 -0.77 -0.27 116.42 118.08 1jh4 h ASP 70 Ca 0.02 0.16 0.03 0.00 0.42 0.00 0.00 57.03 57.66 1jh4 h ASP 70 Cb 0.50 0.44 -0.05 0.00 1.72 0.00 0.00 39.33 41.93 1jh4 h ASP 70 CO -0.11 -0.31 -0.39 -0.33 -2.88 0.00 0.00 179.24 175.21 1jh4 h GLU 71 N -0.28 -0.53 -0.86 0.28 4.39 -1.41 -1.36 114.58 114.81 1jh4 h GLU 71 Ca 0.15 0.04 0.17 0.00 0.34 0.00 0.00 59.36 60.05 1jh4 h GLU 71 Cb 0.51 0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.18 1jh4 h GLU 71 CO -0.45 -0.35 0.43 0.00 -1.16 0.00 0.00 179.01 177.48 1jh4 h ALA 72 N 0.06 1.33 -0.92 3.43 0.00 -0.61 0.42 119.26 122.96 1jh4 h ALA 72 Ca 0.05 0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.27 1jh4 h ALA 72 Cb 0.63 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1jh4 h ALA 72 CO -0.30 -0.15 0.61 0.28 0.00 0.00 0.00 179.25 179.68 1jh4 h VAL 73 N 0.57 0.67 0.22 0.00 2.07 0.08 1.11 116.25 120.97 1jh4 h VAL 73 Ca 0.49 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.85 1jh4 h VAL 73 Cb 0.76 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1jh4 h VAL 73 CO -0.41 0.08 -0.10 0.00 0.02 0.00 0.00 177.57 177.16 1jh4 h ALA 74 N 1.61 -0.29 0.50 1.67 0.00 0.13 -2.83 119.26 120.05 1jh4 h ALA 74 Ca 0.49 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1jh4 h ALA 74 Cb 1.17 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1jh4 h ALA 74 CO -0.20 -0.32 -0.24 0.28 0.00 0.00 0.00 179.25 178.77 1jh4 h VAL 75 N -0.97 0.00 0.07 0.00 2.07 -0.41 -2.73 116.25 114.28 1jh4 h VAL 75 Ca -0.03 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1jh4 h VAL 75 Cb 0.45 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 1jh4 h VAL 75 CO 0.05 0.00 -0.46 0.25 0.02 0.00 0.00 177.57 177.43 1jh4 h LEU 76 N -0.89 -1.38 -1.76 2.57 5.85 0.10 1.46 115.31 121.27 1jh4 h LEU 76 Ca -0.07 0.16 0.26 0.00 0.84 0.00 0.00 57.88 59.07 1jh4 h LEU 76 Cb 0.52 0.52 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 1jh4 h LEU 76 CO 0.11 -0.50 0.67 -0.61 -0.34 0.00 0.00 178.44 177.77 1jh4 h GLN 77 N -0.66 0.17 0.00 1.25 4.15 -1.50 1.15 115.11 119.66 1jh4 h GLN 77 Ca 0.02 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1jh4 h GLN 77 Cb 0.70 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.35 1jh4 h GLN 77 CO -0.29 0.11 -0.11 0.00 -1.93 0.00 0.00 178.83 176.61 1jh4 h ALA 78 N 1.56 0.01 -0.26 3.38 0.00 -0.72 -3.36 119.26 119.86 1jh4 h ALA 78 Ca 0.49 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1jh4 h ALA 78 Cb 1.63 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1jh4 h ALA 78 CO -0.10 0.09 0.18 0.45 0.00 0.00 0.00 179.25 179.86 1jh4 h HIS 79 N -1.00 0.24 -0.22 0.00 3.86 0.27 -1.50 115.15 116.79 1jh4 h HIS 79 Ca -0.02 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.08 1jh4 h HIS 79 Cb 0.36 -0.08 -0.07 0.00 1.06 0.00 0.00 27.41 28.68 1jh4 h HIS 79 CO 0.05 0.14 0.16 0.94 0.86 0.00 0.00 177.93 180.07 1jh4 n GLN 80 N -4.50 1.30 -0.69 2.45 0.00 0.39 -4.94 117.38 111.40 1jh4 n GLN 80 Ca 0.02 -0.67 -0.30 0.00 -0.00 0.00 0.00 57.00 56.04 1jh4 n GLN 80 Cb 0.16 -1.26 0.19 0.00 0.00 0.00 0.00 30.24 29.32 1jh4 n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jh4 s ALA 81 N -0.75 0.97 0.26 1.69 0.00 -0.57 -4.96 121.76 118.40 1jh4 s ALA 81 Ca 0.13 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.17 1jh4 s ALA 81 Cb 0.11 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 1jh4 s ALA 81 CO 0.02 -3.02 1.07 0.15 0.00 0.00 0.00 175.76 173.98 1jh4 s LYS 82 N -4.61 4.67 -1.05 0.00 -0.14 -1.26 -4.94 119.74 112.41 1jh4 s LYS 82 Ca 0.67 1.73 -0.23 0.00 -1.36 0.00 0.00 55.97 56.78 1jh4 s LYS 82 Cb -0.23 -3.22 0.00 0.00 -1.68 0.00 0.00 37.83 32.70 1jh4 s LYS 82 CO 0.60 0.25 1.73 -1.21 -0.76 0.00 0.00 175.35 175.95 1jh4 s GLU 83 N -1.22 3.16 0.10 1.68 0.41 -1.26 -4.81 118.70 116.76 1jh4 s GLU 83 Ca 0.45 -1.00 -0.22 0.00 -0.41 0.00 0.00 54.97 53.78 1jh4 s GLU 83 Cb -0.30 -5.28 -0.13 0.00 -1.78 0.00 0.00 34.13 26.64 1jh4 s GLU 83 CO 0.38 -2.86 1.74 0.00 -0.49 0.00 0.00 175.26 174.04 1jh4 h ALA 84 N 9.90 0.03 -1.11 5.21 0.00 -2.03 -3.33 119.26 127.94 1jh4 h ALA 84 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1jh4 h ALA 84 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1jh4 h ALA 84 CO 1.33 -0.48 0.00 0.00 0.00 0.00 0.00 179.25 180.11 1jh4 n ALA 85 N -2.12 -0.25 -2.46 0.00 0.00 -1.26 -4.69 120.51 109.73 1jh4 n ALA 85 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 1jh4 n ALA 85 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 1jh4 n ALA 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1jh4 s GLN 86 N -1.90 4.47 -0.41 0.00 2.00 -1.25 -4.99 119.66 117.57 1jh4 s GLN 86 Ca 0.00 1.70 -0.25 0.00 -2.00 0.00 0.00 55.36 54.81 1jh4 s GLN 86 Cb 0.00 -3.37 0.02 0.00 0.80 0.00 0.00 33.01 30.46 1jh4 s GLN 86 CO 0.00 -0.20 0.88 0.15 -0.50 0.00 0.00 175.29 175.63 1jh4 s LYS 87 N 0.98 3.67 -1.00 1.67 1.02 -1.26 -4.58 119.74 120.25 1jh4 s LYS 87 Ca 0.57 0.31 -0.23 0.00 0.02 0.00 0.00 55.97 56.63 1jh4 s LYS 87 Cb -0.28 -3.86 0.05 0.00 -0.52 0.00 0.00 37.83 33.22 1jh4 s LYS 87 CO 0.29 -1.05 1.43 0.00 -0.92 0.00 0.00 175.35 175.10 1jh4 s ALA 88 N 3.49 2.73 -1.85 5.17 0.00 -1.26 -4.78 121.76 125.27 1jh4 s ALA 88 Ca 0.36 -2.21 0.17 0.00 0.00 0.00 0.00 51.96 50.28 1jh4 s ALA 88 Cb -0.11 -4.49 0.52 0.00 0.00 0.00 0.00 23.12 19.03 1jh4 s ALA 88 CO 0.22 -3.57 1.42 1.33 0.00 0.00 0.00 175.76 175.16 1jh4 n VAL 89 N 6.81 0.90 -0.85 0.00 0.24 -1.26 -4.03 118.33 120.14 1jh4 n VAL 89 Ca 0.30 -0.79 0.08 0.00 -2.04 0.00 0.00 64.34 61.89 1jh4 n VAL 89 Cb 0.51 0.31 0.33 0.00 -1.47 0.00 0.00 33.84 33.52 1jh4 n VAL 89 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1jh4 n ASN 90 N 1.10 4.76 0.00 -1.34 0.23 -1.26 -3.60 115.26 115.15 1jh4 n ASN 90 Ca 0.19 -2.82 0.00 0.00 -0.53 0.00 0.00 54.58 51.42 1jh4 n ASN 90 Cb 0.53 -0.59 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 1jh4 n ASN 90 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1jh4 n SER 91 N 0.31 0.00 0.00 0.53 2.88 -1.26 -4.79 113.62 111.29 1jh4 n SER 91 Ca 0.24 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1jh4 n SER 91 Cb 0.99 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 1jh4 n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jh4 n ALA 92 N -1.23 0.00 -4.04 -1.46 0.00 -1.26 -4.92 120.51 107.60 1jh4 n ALA 92 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.10 1jh4 n ALA 92 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1jh4 n ALA 92 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jh4 s THR 93 N -0.21 2.23 -0.28 0.00 -4.23 -1.26 -4.97 115.64 106.91 1jh4 s THR 93 Ca 0.00 -1.48 0.12 0.00 -1.18 0.00 0.00 61.69 59.14 1jh4 s THR 93 Cb 0.00 -2.24 0.70 0.00 1.34 0.00 0.00 72.50 72.29 1jh4 s THR 93 CO 0.00 0.07 1.69 0.61 -0.54 0.00 0.00 174.62 176.45 1jh4 n GLY 94 N 4.48 3.76 3.69 3.99 0.00 -1.24 -4.81 105.19 115.07 1jh4 n GLY 94 Ca -0.15 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 1jh4 n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jh4 s VAL 95 N -2.96 5.10 -0.65 1.61 1.01 -1.26 -4.97 120.40 118.28 1jh4 s VAL 95 Ca 0.52 1.11 -0.23 0.00 0.00 0.00 0.00 61.98 63.38 1jh4 s VAL 95 Cb 0.42 -3.90 -0.19 0.00 0.00 0.00 0.00 36.38 32.71 1jh4 s VAL 95 CO 0.12 0.21 1.87 -0.81 0.00 0.00 0.00 175.10 176.49 1jh4 n PRO 96 N 4.36 1.28 -0.57 2.72 -0.04 -1.26 -4.58 135.00 136.91 1jh4 n PRO 96 Ca -0.04 -1.69 0.05 0.00 -0.04 0.00 0.00 63.50 61.79 1jh4 n PRO 96 Cb 0.51 -2.83 0.27 0.00 -0.04 0.00 0.00 33.50 31.42 1jh4 n PRO 96 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1jh4 n THR 97 N 6.08 1.72 -0.70 0.52 5.66 -1.26 -5.34 114.28 120.96 1jh4 n THR 97 Ca 0.49 -0.93 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 1jh4 n THR 97 Cb 0.39 -0.23 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 1jh4 n THR 97 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54