#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 0.86 -2.79 1.61 -0.04 -1.26 -4.70 135.00 128.69 1jh4 n PRO 2 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 1jh4 n PRO 2 Cb 0.00 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 1jh4 n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jh4 s LEU 3 N -0.58 4.29 -0.18 1.53 1.43 -1.26 -4.84 118.68 119.08 1jh4 s LEU 3 Ca 0.00 -1.34 -0.21 0.00 -1.03 0.00 0.00 54.13 51.55 1jh4 s LEU 3 Cb 0.00 -2.46 -0.18 0.00 0.03 0.00 0.00 46.19 43.58 1jh4 s LEU 3 CO 0.00 -1.38 0.32 1.23 0.23 0.00 0.00 176.35 176.74 1jh4 h GLY 4 N 11.52 0.00 -5.01 -3.19 0.00 -2.05 -3.45 103.07 100.88 1jh4 h GLY 4 Ca -0.06 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.70 1jh4 h GLY 4 CO 1.21 0.00 0.54 -1.35 0.00 0.00 0.00 176.54 176.94 1jh4 s SER 5 N -6.48 7.12 1.09 0.19 1.04 -1.26 -5.03 113.70 110.37 1jh4 s SER 5 Ca -0.23 1.38 -0.18 0.00 0.48 0.00 0.00 55.95 57.40 1jh4 s SER 5 Cb 0.03 -2.52 0.12 0.00 0.10 0.00 0.00 66.02 63.75 1jh4 s SER 5 CO 0.54 -0.47 0.04 -2.65 0.98 0.00 0.00 173.24 171.69 1jh4 n PRO 6 N 5.30 -1.88 -3.43 4.02 -0.02 -1.26 -4.95 135.00 132.78 1jh4 n PRO 6 Ca 0.08 -0.54 -0.38 0.00 -2.02 0.00 0.00 63.50 60.63 1jh4 n PRO 6 Cb 0.48 -1.58 -0.08 0.00 -0.02 0.00 0.00 33.50 32.30 1jh4 n PRO 6 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jh4 s LEU 7 N -0.47 4.12 -0.02 2.45 2.01 -1.26 -4.96 118.68 120.55 1jh4 s LEU 7 Ca 0.48 0.41 0.04 0.00 0.01 0.00 0.00 54.13 55.07 1jh4 s LEU 7 Cb -0.08 -2.44 -0.25 0.00 0.01 0.00 0.00 46.19 43.43 1jh4 s LEU 7 CO 0.54 -0.08 0.77 0.71 1.01 0.00 0.00 176.35 179.30 1jh4 h THR 8 N 5.10 1.03 0.22 5.49 1.35 -1.98 -2.97 112.91 121.15 1jh4 h THR 8 Ca -0.35 -2.78 -0.01 0.00 -0.55 0.00 0.00 66.41 62.72 1jh4 h THR 8 Cb 1.16 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 70.19 1jh4 h THR 8 CO 0.69 0.72 -0.11 0.00 -0.25 0.00 0.00 175.52 176.57 1jh4 h ALA 9 N 0.69 -1.06 -0.15 6.62 0.00 -2.01 -2.58 119.26 120.77 1jh4 h ALA 9 Ca -0.25 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1jh4 h ALA 9 Cb 1.99 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.92 1jh4 h ALA 9 CO 0.12 -1.04 0.18 1.03 0.00 0.00 0.00 179.25 179.53 1jh4 h SER 10 N -0.30 0.00 -0.62 0.00 0.87 -1.98 -1.24 113.55 110.28 1jh4 h SER 10 Ca -0.03 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1jh4 h SER 10 Cb 0.23 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1jh4 h SER 10 CO 0.04 0.00 0.28 0.24 -0.53 0.00 0.00 176.83 176.86 1jh4 h MET 11 N 0.00 0.90 0.36 2.24 2.86 -1.32 -0.45 114.93 119.52 1jh4 h MET 11 Ca 0.07 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1jh4 h MET 11 Cb 0.42 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1jh4 h MET 11 CO -0.00 0.74 -0.17 1.25 1.06 0.00 0.00 176.91 179.79 1jh4 h LEU 12 N 0.85 -0.41 0.00 1.22 7.12 -0.84 -1.27 115.31 121.98 1jh4 h LEU 12 Ca 0.21 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.20 1jh4 h LEU 12 Cb 0.15 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.39 1jh4 h LEU 12 CO -0.02 -0.26 0.00 0.00 -0.13 0.00 0.00 178.44 178.03 1jh4 n ALA 13 N -2.33 2.10 0.34 1.25 0.00 -1.13 -2.18 120.51 118.56 1jh4 n ALA 13 Ca -0.11 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.40 1jh4 n ALA 13 Cb 0.22 -1.13 0.20 0.00 0.00 0.00 0.00 19.45 18.74 1jh4 n ALA 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jh4 n SER 14 N -0.73 3.40 -4.04 0.00 7.64 -0.19 -4.93 113.62 114.77 1jh4 n SER 14 Ca 0.06 -1.98 -0.17 0.00 1.01 0.00 0.00 58.87 57.79 1jh4 n SER 14 Cb 0.03 -0.23 -0.14 0.00 -1.01 0.00 0.00 64.21 62.86 1jh4 n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jh4 s ALA 15 N -1.49 0.73 0.64 -0.43 0.00 -0.93 -5.05 121.76 115.24 1jh4 s ALA 15 Ca 0.37 -0.50 -0.11 0.00 0.00 0.00 0.00 51.96 51.73 1jh4 s ALA 15 Cb 0.22 -0.13 -0.08 0.00 0.00 0.00 0.00 23.12 23.13 1jh4 s ALA 15 CO 0.31 0.14 -0.60 -2.30 0.00 0.00 0.00 175.76 173.31 1jh4 n PRO 16 N 2.47 0.00 0.00 0.00 -0.02 -1.26 -4.50 135.00 131.70 1jh4 n PRO 16 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1jh4 n PRO 16 Cb 0.56 -0.90 0.00 0.00 -0.02 0.00 0.00 33.50 33.14 1jh4 n PRO 16 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1jh4 n PRO 17 N 2.00 0.00 0.25 0.52 -0.02 -1.26 -1.87 135.00 134.62 1jh4 n PRO 17 Ca -0.01 0.39 0.17 0.00 -2.02 0.00 0.00 63.50 62.03 1jh4 n PRO 17 Cb 0.29 -1.06 0.89 0.00 -0.02 0.00 0.00 33.50 33.60 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 -1.67 -0.52 -0.00 -2.02 -2.38 115.11 108.52 1jh4 h GLN 18 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.46 1jh4 h GLN 18 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 27.48 27.40 1jh4 h GLN 18 CO 0.00 0.00 0.24 0.39 -0.00 0.00 0.00 178.83 179.46 1jh4 n GLU 19 N -2.68 1.46 0.00 0.06 -0.58 -0.78 -4.49 120.64 113.63 1jh4 n GLU 19 Ca -0.02 -0.91 0.00 0.00 -0.42 0.00 0.00 57.16 55.81 1jh4 n GLU 19 Cb 0.07 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1jh4 n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jh4 n GLN 20 N 0.77 0.00 0.00 3.49 10.64 -0.90 -4.11 117.38 127.27 1jh4 n GLN 20 Ca 0.18 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.35 1jh4 n GLN 20 Cb 0.56 -0.58 0.00 0.00 -0.86 0.00 0.00 30.24 29.37 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 -0.35 0.97 0.19 2.61 5.02 -1.26 -4.26 118.16 121.09 1jh4 n LYS 21 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1jh4 n LYS 21 Cb 0.00 -1.34 -0.08 0.00 -0.02 0.00 0.00 35.03 33.59 1jh4 n LYS 21 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 1jh4 h GLN 22 N 0.02 -0.49 0.00 1.97 -0.00 -1.75 -3.19 115.11 111.68 1jh4 h GLN 22 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1jh4 h GLN 22 Cb 0.34 0.11 0.00 0.00 -0.00 0.00 0.00 27.48 27.93 1jh4 h GLN 22 CO 0.00 -0.17 0.00 -1.33 -0.00 0.00 0.00 178.83 177.33 1jh4 n MET 23 N -5.17 0.00 -0.15 0.06 2.81 -1.26 -3.71 117.12 109.70 1jh4 n MET 23 Ca -0.10 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.76 1jh4 n MET 23 Cb 0.28 -0.45 -0.02 0.00 -0.71 0.00 0.00 33.22 32.32 1jh4 n MET 23 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 1jh4 n LEU 24 N -0.01 0.89 0.00 4.03 -0.00 -1.26 -4.89 117.00 115.76 1jh4 n LEU 24 Ca 0.00 -1.09 0.00 0.00 -0.00 0.00 0.00 56.01 54.92 1jh4 n LEU 24 Cb 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.06 1jh4 n LEU 24 CO 0.00 -0.43 0.00 0.61 -0.00 0.00 0.00 177.39 177.57 1jh4 n GLY 25 N 3.32 0.70 0.00 1.47 0.00 -1.20 -3.97 105.19 105.51 1jh4 n GLY 25 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 6.99 0.00 -0.45 1.61 0.00 -1.26 -4.30 120.64 123.22 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 -0.47 0.00 0.00 0.00 0.00 0.00 31.44 30.97 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 -0.31 0.00 -0.02 3.44 5.12 -1.25 -4.89 116.66 118.74 1jh4 n ARG 27 Ca 0.00 -0.73 -0.16 0.00 -1.93 0.00 0.00 57.85 55.03 1jh4 n ARG 27 Cb 0.00 -0.38 -0.12 0.00 -1.16 0.00 0.00 32.46 30.80 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 0.24 -0.66 0.55 3.38 -1.90 -3.21 115.31 113.72 1jh4 h LEU 28 Ca 0.00 -0.81 0.13 0.00 0.09 0.00 0.00 57.88 57.29 1jh4 h LEU 28 Cb 1.28 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 1jh4 h LEU 28 CO 0.00 1.02 -0.21 0.15 0.09 0.00 0.00 178.44 179.49 1jh4 h PHE 29 N -0.51 -0.48 -0.57 1.13 3.57 -1.80 0.57 116.94 118.84 1jh4 h PHE 29 Ca -0.04 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1jh4 h PHE 29 Cb 1.08 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 40.08 1jh4 h PHE 29 CO 0.19 -0.31 0.31 -1.35 -2.23 0.00 0.00 178.31 174.92 1jh4 h PRO 30 N -0.04 0.58 0.01 6.41 0.11 -1.88 1.09 132.00 138.29 1jh4 h PRO 30 Ca 0.31 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.38 1jh4 h PRO 30 Cb 0.51 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1jh4 h PRO 30 CO -0.69 0.38 -0.01 -0.07 -0.21 0.00 0.00 178.00 177.40 1jh4 h LEU 31 N 0.60 -0.02 -0.66 2.35 3.38 -1.02 -2.99 115.31 116.96 1jh4 h LEU 31 Ca 0.25 -0.46 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 1jh4 h LEU 31 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1jh4 h LEU 31 CO -0.15 0.46 -0.13 -0.29 0.09 0.00 0.00 178.44 178.42 1jh4 h ILE 32 N -0.50 1.27 -0.94 1.22 -0.00 0.13 -2.08 117.51 116.61 1jh4 h ILE 32 Ca -0.00 -1.25 0.27 0.00 -0.00 0.00 0.00 64.86 63.87 1jh4 h ILE 32 Cb 0.48 1.03 -0.14 0.00 -0.00 0.00 0.00 36.82 38.18 1jh4 h ILE 32 CO 0.00 0.43 0.39 -0.61 -0.00 0.00 0.00 178.15 178.37 1jh4 h GLN 33 N 0.81 0.28 -0.28 2.19 4.15 0.12 2.18 115.11 124.56 1jh4 h GLN 33 Ca 0.13 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.55 1jh4 h GLN 33 Cb 0.66 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 1jh4 h GLN 33 CO 0.05 0.19 0.19 0.00 -1.93 0.00 0.00 178.83 177.32 1jh4 h ALA 34 N 1.80 1.88 0.00 3.38 0.00 -1.22 -3.27 119.26 121.84 1jh4 h ALA 34 Ca 0.63 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 55.21 1jh4 h ALA 34 Cb 1.33 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1jh4 h ALA 34 CO -0.62 0.09 -2.00 -1.33 0.00 0.00 0.00 179.25 175.39 1jh4 n MET 35 N -4.49 0.57 -3.56 0.00 2.81 0.43 -5.04 117.12 107.84 1jh4 n MET 35 Ca 0.02 0.27 -0.22 0.00 -1.81 0.00 0.00 57.70 55.96 1jh4 n MET 35 Cb 0.13 -1.49 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 -4.33 -2.52 0.00 2.03 8.25 0.63 -4.97 115.22 114.31 1jh4 n HIS 36 Ca -0.41 0.97 0.00 0.00 -0.26 0.00 0.00 57.72 58.02 1jh4 n HIS 36 Cb 0.76 -4.95 0.00 0.00 1.12 0.00 0.00 29.99 26.91 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 -4.60 0.00 -0.03 -0.41 -0.04 -1.26 -4.70 135.00 123.95 1jh4 n PRO 37 Ca -0.12 0.28 -0.03 0.00 -0.04 0.00 0.00 63.50 63.59 1jh4 n PRO 37 Cb 0.61 -1.26 -0.01 0.00 -0.04 0.00 0.00 33.50 32.80 1jh4 n PRO 37 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jh4 n THR 38 N -1.34 0.62 -3.15 0.52 -2.24 -1.26 -5.03 114.28 102.40 1jh4 n THR 38 Ca 0.00 0.37 0.05 0.00 -2.27 0.00 0.00 64.05 62.19 1jh4 n THR 38 Cb 0.00 -1.87 -0.01 0.00 -2.10 0.00 0.00 70.33 66.35 1jh4 n THR 38 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jh4 s LEU 39 N -6.15 -1.07 0.21 3.22 1.02 -1.26 -5.05 118.68 109.60 1jh4 s LEU 39 Ca -0.09 0.53 -0.14 0.00 0.02 0.00 0.00 54.13 54.45 1jh4 s LEU 39 Cb 0.01 1.84 0.24 0.00 0.02 0.00 0.00 46.19 48.30 1jh4 s LEU 39 CO 0.13 -0.20 1.62 0.00 0.02 0.00 0.00 176.35 177.92 1jh4 h ALA 40 N 7.94 0.39 0.70 4.21 0.00 -1.91 0.94 119.26 131.53 1jh4 h ALA 40 Ca -0.16 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1jh4 h ALA 40 Cb 1.17 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1jh4 h ALA 40 CO 0.11 -0.44 -0.46 0.78 0.00 0.00 0.00 179.25 179.23 1jh4 h GLY 41 N -0.02 -1.24 1.09 0.00 0.00 -1.97 -1.70 103.07 99.24 1jh4 h GLY 41 Ca 0.30 0.52 -0.10 0.00 0.00 0.00 0.00 47.33 48.06 1jh4 h GLY 41 CO -0.67 -0.42 0.01 0.50 0.00 0.00 0.00 176.54 175.96 1jh4 h LYS 42 N -1.11 1.08 -0.95 4.80 1.79 -1.90 -2.90 116.57 117.39 1jh4 h LYS 42 Ca -0.09 -0.34 0.09 0.00 -2.18 0.00 0.00 60.65 58.13 1jh4 h LYS 42 Cb 0.90 -0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 31.38 1jh4 h LYS 42 CO 0.07 1.05 0.61 0.97 -1.08 0.00 0.00 179.45 181.06 1jh4 h ILE 43 N 0.99 1.00 -0.41 1.86 2.10 0.96 -1.91 117.51 122.10 1jh4 h ILE 43 Ca 0.18 -0.34 0.09 0.00 1.08 0.00 0.00 64.86 65.86 1jh4 h ILE 43 Cb 0.55 -0.09 -0.08 0.00 -1.09 0.00 0.00 36.82 36.11 1jh4 h ILE 43 CO 0.03 0.18 -0.16 0.74 -1.08 0.00 0.00 178.15 177.87 1jh4 h THR 44 N 1.00 0.49 -0.17 2.19 2.02 -1.09 0.81 112.91 118.15 1jh4 h THR 44 Ca 0.44 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.66 1jh4 h THR 44 Cb 0.35 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1jh4 h THR 44 CO -0.19 0.00 0.21 1.23 0.37 0.00 0.00 175.52 177.13 1jh4 h GLY 45 N -0.07 0.00 0.02 2.16 0.00 -1.42 -1.40 103.07 102.36 1jh4 h GLY 45 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 1jh4 h GLY 45 CO -0.46 0.00 -0.01 1.98 0.00 0.00 0.00 176.54 178.05 1jh4 h MET 46 N 0.00 -0.02 0.00 4.80 -1.53 0.71 -3.30 114.93 115.58 1jh4 h MET 46 Ca 0.08 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.34 1jh4 h MET 46 Cb 0.49 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.55 1jh4 h MET 46 CO -0.00 -0.01 0.13 -0.07 0.14 0.00 0.00 176.91 177.09 1jh4 h LEU 47 N -0.06 0.00 -0.62 3.39 -0.00 -1.19 -2.99 115.31 113.83 1jh4 h LEU 47 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1jh4 h LEU 47 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1jh4 h LEU 47 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 178.44 178.33 1jh4 n LEU 48 N -2.99 0.00 0.00 1.67 7.94 -0.54 -2.77 117.00 120.31 1jh4 n LEU 48 Ca -0.03 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 54.98 1jh4 n LEU 48 Cb 0.19 0.00 0.46 0.00 0.53 0.00 0.00 43.42 44.60 1jh4 n LEU 48 CO 0.17 0.00 0.83 -1.84 -1.11 0.00 0.00 177.39 175.45 1jh4 n GLU 49 N 0.11 0.05 -3.70 1.96 -0.00 -1.13 -4.79 120.64 113.14 1jh4 n GLU 49 Ca 0.00 0.13 -0.22 0.00 -0.00 0.00 0.00 57.16 57.07 1jh4 n GLU 49 Cb 0.00 -1.50 -0.04 0.00 -0.00 0.00 0.00 31.44 29.90 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 -2.93 2.49 0.47 3.84 1.10 -1.11 -5.12 121.20 119.95 1jh4 s ILE 50 Ca 0.12 -1.42 -0.21 0.00 -0.51 0.00 0.00 60.65 58.62 1jh4 s ILE 50 Cb 0.14 -2.92 -0.08 0.00 0.15 0.00 0.00 42.46 39.75 1jh4 s ILE 50 CO 0.37 0.00 1.07 -1.81 -2.11 0.00 0.00 174.94 172.46 1jh4 s ASP 51 N -4.10 6.32 0.60 4.50 1.11 -1.26 -4.90 116.67 118.93 1jh4 s ASP 51 Ca 0.46 2.02 0.28 0.00 0.18 0.00 0.00 52.55 55.49 1jh4 s ASP 51 Cb -0.02 -2.57 1.35 0.00 1.07 0.00 0.00 42.92 42.75 1jh4 s ASP 51 CO 0.26 -0.80 1.76 -1.13 1.18 0.00 0.00 175.17 176.44 1jh4 h ASN 52 N 1.74 0.00 0.61 0.27 -0.73 -2.00 0.20 115.58 115.67 1jh4 h ASN 52 Ca -0.49 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 57.63 1jh4 h ASN 52 Cb 1.23 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.81 1jh4 h ASN 52 CO 0.59 0.00 -0.24 -1.28 -0.37 0.00 0.00 177.43 176.14 1jh4 h SER 53 N 0.00 0.00 -0.02 1.15 0.87 -2.01 -3.12 113.55 110.42 1jh4 h SER 53 Ca 0.26 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.56 1jh4 h SER 53 Cb 1.55 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.53 1jh4 h SER 53 CO -0.00 0.24 -1.01 -0.08 -0.53 0.00 0.00 176.83 175.45 1jh4 h GLU 54 N 0.00 0.72 -0.54 2.24 4.22 -0.96 -3.08 114.58 117.19 1jh4 h GLU 54 Ca -0.00 -0.75 -0.02 0.00 0.08 0.00 0.00 59.36 58.67 1jh4 h GLU 54 Cb 0.61 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1jh4 h GLU 54 CO 0.03 1.32 0.24 -0.07 -2.18 0.00 0.00 179.01 178.35 1jh4 h LEU 55 N 0.42 0.69 -0.49 1.64 4.07 -1.63 -0.81 115.31 119.21 1jh4 h LEU 55 Ca -0.12 -0.07 -0.05 0.00 0.08 0.00 0.00 57.88 57.72 1jh4 h LEU 55 Cb 1.66 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 43.20 1jh4 h LEU 55 CO 0.20 0.61 0.11 -0.07 -1.08 0.00 0.00 178.44 178.21 1jh4 h LEU 56 N 0.76 0.75 -0.02 1.67 3.38 -1.57 0.76 115.31 121.04 1jh4 h LEU 56 Ca 0.19 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1jh4 h LEU 56 Cb 0.12 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1jh4 h LEU 56 CO -0.02 0.80 0.01 0.45 0.09 0.00 0.00 178.44 179.76 1jh4 h HIS 57 N 0.67 0.03 -0.35 1.13 3.86 -1.33 -2.50 115.15 116.67 1jh4 h HIS 57 Ca 0.15 -0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.20 1jh4 h HIS 57 Cb 0.35 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 1jh4 h HIS 57 CO 0.02 0.19 -0.41 0.00 0.86 0.00 0.00 177.93 178.60 1jh4 h MET 58 N -0.14 0.88 -0.01 2.45 -0.00 -1.08 -2.48 114.93 114.55 1jh4 h MET 58 Ca 0.01 -0.47 0.00 0.00 -0.00 0.00 0.00 59.70 59.24 1jh4 h MET 58 Cb 0.17 0.02 -0.00 0.00 -0.00 0.00 0.00 31.60 31.79 1jh4 h MET 58 CO -0.00 1.12 0.02 1.25 -0.00 0.00 0.00 176.91 179.30 1jh4 h LEU 59 N 0.71 0.00 -1.96 -0.10 6.46 0.60 0.37 115.31 121.40 1jh4 h LEU 59 Ca 0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1jh4 h LEU 59 Cb 0.99 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1jh4 h LEU 59 CO 0.10 0.00 0.00 -0.62 -0.62 0.00 0.00 178.44 177.30 1jh4 n GLU 60 N -3.45 2.27 -3.45 1.25 -0.58 -0.95 -4.77 120.64 110.96 1jh4 n GLU 60 Ca -0.03 -1.94 -0.22 0.00 -0.42 0.00 0.00 57.16 54.55 1jh4 n GLU 60 Cb 0.10 -1.45 -0.12 0.00 -0.57 0.00 0.00 31.44 29.40 1jh4 n GLU 60 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1jh4 s SER 61 N -1.88 2.40 0.52 1.62 0.01 0.13 -5.01 113.70 111.49 1jh4 s SER 61 Ca 0.29 -1.14 0.29 0.00 1.31 0.00 0.00 55.95 56.69 1jh4 s SER 61 Cb 0.20 0.13 1.43 0.00 0.21 0.00 0.00 66.02 67.99 1jh4 s SER 61 CO 0.29 -0.39 1.90 -0.65 0.41 0.00 0.00 173.24 174.81 1jh4 h PRO 62 N 8.10 0.05 0.72 12.44 0.11 -1.86 0.12 132.00 151.68 1jh4 h PRO 62 Ca -0.12 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.95 1jh4 h PRO 62 Cb 1.04 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1jh4 h PRO 62 CO 0.35 0.03 -0.45 0.93 -0.21 0.00 0.00 178.00 178.65 1jh4 h GLU 63 N 0.05 -1.06 -0.17 1.05 5.08 -1.95 0.28 114.58 117.85 1jh4 h GLU 63 Ca 0.41 0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.72 1jh4 h GLU 63 Cb 1.55 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 31.03 1jh4 h GLU 63 CO -0.03 -0.71 -0.42 1.03 -1.00 0.00 0.00 179.01 177.89 1jh4 h SER 64 N -1.10 0.42 0.67 1.42 0.87 -1.76 -2.80 113.55 111.27 1jh4 h SER 64 Ca -0.10 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 1jh4 h SER 64 Cb 0.89 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 1jh4 h SER 64 CO 0.09 0.79 -0.49 0.25 -0.53 0.00 0.00 176.83 176.95 1jh4 h LEU 65 N 0.33 -1.27 -2.04 2.23 7.12 -0.80 -1.48 115.31 119.39 1jh4 h LEU 65 Ca 0.03 0.08 0.09 0.00 0.13 0.00 0.00 57.88 58.21 1jh4 h LEU 65 Cb 0.87 0.39 -0.01 0.00 -0.53 0.00 0.00 40.66 41.38 1jh4 h LEU 65 CO 0.07 -0.71 0.23 -0.09 -0.13 0.00 0.00 178.44 177.81 1jh4 h ARG 66 N -1.11 0.00 -0.50 1.25 1.12 -0.44 -1.78 114.38 112.91 1jh4 h ARG 66 Ca -0.09 0.00 0.07 0.00 -1.11 0.00 0.00 59.98 58.85 1jh4 h ARG 66 Cb 0.92 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.82 1jh4 h ARG 66 CO 0.04 0.00 0.19 1.03 -3.11 0.00 0.00 179.97 178.12 1jh4 h SER 67 N 0.00 0.20 0.04 -3.80 0.87 -1.00 0.31 113.55 110.18 1jh4 h SER 67 Ca 0.14 0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.67 1jh4 h SER 67 Cb 0.59 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1jh4 h SER 67 CO -0.00 0.15 -0.39 0.11 -0.53 0.00 0.00 176.83 176.16 1jh4 h LYS 68 N 0.37 0.09 -0.01 2.24 1.79 -1.04 -3.18 116.57 116.83 1jh4 h LYS 68 Ca 0.24 -0.16 0.02 0.00 -2.18 0.00 0.00 60.65 58.57 1jh4 h LYS 68 Cb 0.24 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 1jh4 h LYS 68 CO -0.23 1.07 -0.12 0.28 -1.08 0.00 0.00 179.45 179.37 1jh4 h VAL 69 N -0.80 0.69 0.07 0.50 2.07 -1.40 -0.28 116.25 117.10 1jh4 h VAL 69 Ca -0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1jh4 h VAL 69 Cb 1.23 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 1jh4 h VAL 69 CO 0.03 0.00 -0.38 0.44 0.02 0.00 0.00 177.57 177.68 1jh4 h ASP 70 N -0.20 -1.11 -0.35 0.57 5.19 -1.10 -1.05 116.42 118.37 1jh4 h ASP 70 Ca 0.05 0.13 0.07 0.00 -0.62 0.00 0.00 57.03 56.66 1jh4 h ASP 70 Cb 0.27 0.43 -0.09 0.00 0.18 0.00 0.00 39.33 40.12 1jh4 h ASP 70 CO -0.13 -0.44 -0.38 -0.33 -3.12 0.00 0.00 179.24 174.84 1jh4 h GLU 71 N -0.58 -0.31 -0.72 3.56 4.39 -1.48 -0.52 114.58 118.92 1jh4 h GLU 71 Ca 0.04 0.02 0.15 0.00 0.34 0.00 0.00 59.36 59.90 1jh4 h GLU 71 Cb 0.63 0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 29.25 1jh4 h GLU 71 CO -0.25 -0.20 0.21 0.00 -1.16 0.00 0.00 179.01 177.61 1jh4 h ALA 72 N 0.54 0.95 -0.98 3.43 0.00 -0.59 0.25 119.26 122.86 1jh4 h ALA 72 Ca 0.14 0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.42 1jh4 h ALA 72 Cb 0.57 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 1jh4 h ALA 72 CO -0.52 -0.29 0.63 0.28 0.00 0.00 0.00 179.25 179.35 1jh4 h VAL 73 N 0.33 0.62 0.28 0.00 2.07 0.22 1.26 116.25 121.04 1jh4 h VAL 73 Ca 0.40 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.75 1jh4 h VAL 73 Cb 0.64 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1jh4 h VAL 73 CO -0.45 0.08 -0.14 0.00 0.02 0.00 0.00 177.57 177.08 1jh4 h ALA 74 N 1.61 -0.38 0.94 1.67 0.00 -0.24 -2.64 119.26 120.22 1jh4 h ALA 74 Ca 0.53 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 1jh4 h ALA 74 Cb 1.28 0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.23 1jh4 h ALA 74 CO -0.25 -0.38 -0.45 0.28 0.00 0.00 0.00 179.25 178.45 1jh4 h VAL 75 N -1.04 0.00 -0.20 0.00 2.07 -0.38 -2.88 116.25 113.82 1jh4 h VAL 75 Ca -0.04 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1jh4 h VAL 75 Cb 0.41 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 1jh4 h VAL 75 CO 0.06 0.00 -0.33 0.25 0.02 0.00 0.00 177.57 177.58 1jh4 h LEU 76 N -1.31 -1.04 -1.60 2.57 5.85 0.14 1.60 115.31 121.52 1jh4 h LEU 76 Ca -0.13 0.16 0.26 0.00 0.84 0.00 0.00 57.88 59.01 1jh4 h LEU 76 Cb 0.97 0.45 -0.07 0.00 0.37 0.00 0.00 40.66 42.38 1jh4 h LEU 76 CO 0.21 -0.35 0.67 0.06 -0.34 0.00 0.00 178.44 178.69 1jh4 h GLN 77 N -0.37 0.27 0.00 1.25 -0.00 -1.53 1.03 115.11 115.77 1jh4 h GLN 77 Ca 0.11 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.74 1jh4 h GLN 77 Cb 0.55 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.48 27.96 1jh4 h GLN 77 CO -0.40 0.18 -0.13 0.00 -0.00 0.00 0.00 178.83 178.48 1jh4 h ALA 78 N 1.58 0.01 0.00 0.06 0.00 -0.63 -3.34 119.26 116.94 1jh4 h ALA 78 Ca 0.52 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1jh4 h ALA 78 Cb 1.54 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1jh4 h ALA 78 CO -0.17 0.11 0.00 0.72 0.00 0.00 0.00 179.25 179.91 1jh4 n HIS 79 N -4.72 0.00 0.79 0.00 8.25 0.52 -2.70 115.22 117.37 1jh4 n HIS 79 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1jh4 n HIS 79 Cb 0.13 -0.23 0.04 0.00 1.12 0.00 0.00 29.99 31.05 1jh4 n HIS 79 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1jh4 n GLN 80 N -1.23 1.38 0.18 -0.41 1.13 0.35 -3.97 117.38 114.81 1jh4 n GLN 80 Ca 0.04 -0.34 0.14 0.00 -1.94 0.00 0.00 57.00 54.90 1jh4 n GLN 80 Cb 0.05 -1.52 0.56 0.00 0.11 0.00 0.00 30.24 29.44 1jh4 n GLN 80 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jh4 h ALA 81 N 2.17 1.00 -1.17 -1.58 0.00 -1.78 -3.39 119.26 114.52 1jh4 h ALA 81 Ca 0.01 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.37 1jh4 h ALA 81 Cb 0.73 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 1jh4 h ALA 81 CO 0.06 0.00 1.30 0.15 0.00 0.00 0.00 179.25 180.76 1jh4 s LYS 82 N -3.44 3.34 0.49 0.00 -0.14 -1.25 -4.98 119.74 113.75 1jh4 s LYS 82 Ca 0.03 -0.72 -0.20 0.00 -1.36 0.00 0.00 55.97 53.72 1jh4 s LYS 82 Cb 0.09 -4.95 -0.08 0.00 -1.68 0.00 0.00 37.83 31.21 1jh4 s LYS 82 CO 0.43 -2.31 1.05 -2.00 -0.76 0.00 0.00 175.35 171.76 1jh4 s GLU 83 N 5.46 3.77 0.00 1.68 2.56 -1.26 -4.90 118.70 126.01 1jh4 s GLU 83 Ca 0.46 1.40 0.00 0.00 0.00 0.00 0.00 54.97 56.83 1jh4 s GLU 83 Cb -0.03 -2.11 0.00 0.00 2.00 0.00 0.00 34.13 33.99 1jh4 s GLU 83 CO -0.01 -0.46 0.60 0.00 -0.56 0.00 0.00 175.26 174.84 1jh4 n ALA 84 N -0.95 2.40 -1.18 6.30 0.00 -1.26 -4.38 120.51 121.45 1jh4 n ALA 84 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.36 1jh4 n ALA 84 Cb 0.52 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.86 1jh4 n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jh4 n ALA 85 N 0.19 6.31 0.39 0.00 0.00 -1.26 -4.52 120.51 121.62 1jh4 n ALA 85 Ca 0.00 -2.25 -0.03 0.00 0.00 0.00 0.00 53.44 51.16 1jh4 n ALA 85 Cb 0.30 -2.19 0.08 0.00 0.00 0.00 0.00 19.45 17.64 1jh4 n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jh4 n GLN 86 N 1.78 1.72 -0.95 0.00 0.00 -1.26 -4.14 117.38 114.52 1jh4 n GLN 86 Ca 0.44 -0.90 -0.19 0.00 0.00 0.00 0.00 57.00 56.35 1jh4 n GLN 86 Cb 0.75 -1.52 0.12 0.00 0.00 0.00 0.00 30.24 29.60 1jh4 n GLN 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1jh4 n LYS 87 N 0.09 1.99 -1.08 2.61 4.81 -1.26 -4.77 118.16 120.55 1jh4 n LYS 87 Ca 0.13 -2.29 -0.32 0.00 -0.87 0.00 0.00 58.31 54.96 1jh4 n LYS 87 Cb 0.70 -1.90 -0.02 0.00 0.02 0.00 0.00 35.03 33.83 1jh4 n LYS 87 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jh4 n ALA 88 N -0.68 6.10 -2.80 3.14 0.00 -1.26 -4.85 120.51 120.17 1jh4 n ALA 88 Ca 0.45 -2.88 -0.43 0.00 0.00 0.00 0.00 53.44 50.59 1jh4 n ALA 88 Cb 1.27 -3.23 -0.09 0.00 0.00 0.00 0.00 19.45 17.40 1jh4 n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jh4 s VAL 89 N 2.86 4.97 -0.58 0.00 1.01 -1.26 -5.03 120.40 122.35 1jh4 s VAL 89 Ca 0.55 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 1jh4 s VAL 89 Cb 0.14 -3.88 0.14 0.00 0.00 0.00 0.00 36.38 32.79 1jh4 s VAL 89 CO -0.04 -0.42 0.54 0.54 0.00 0.00 0.00 175.10 175.72 1jh4 s ASN 90 N 2.04 6.27 -1.24 3.32 4.22 -1.26 -4.99 114.94 123.31 1jh4 s ASN 90 Ca 0.04 -1.92 -0.14 0.00 -2.14 0.00 0.00 52.86 48.70 1jh4 s ASN 90 Cb -0.21 -2.21 0.15 0.00 1.28 0.00 0.00 41.25 40.26 1jh4 s ASN 90 CO 0.07 -0.82 1.53 -1.54 -2.04 0.00 0.00 177.10 174.30 1jh4 n SER 91 N 5.07 5.15 -4.56 3.54 3.41 -1.26 -4.94 113.62 120.02 1jh4 n SER 91 Ca -0.10 -2.98 -0.34 0.00 -0.26 0.00 0.00 58.87 55.19 1jh4 n SER 91 Cb 0.41 -1.60 -0.04 0.00 -0.26 0.00 0.00 64.21 62.72 1jh4 n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jh4 s ALA 92 N 1.96 2.25 -0.25 7.33 0.00 -1.26 -4.94 121.76 126.85 1jh4 s ALA 92 Ca 0.45 -1.96 -0.03 0.00 0.00 0.00 0.00 51.96 50.42 1jh4 s ALA 92 Cb -0.01 -4.55 0.02 0.00 0.00 0.00 0.00 23.12 18.58 1jh4 s ALA 92 CO 0.01 -4.18 -0.04 -0.08 0.00 0.00 0.00 175.76 171.48 1jh4 s THR 93 N 7.36 3.07 -0.12 0.00 -1.32 -1.26 -5.10 115.64 118.28 1jh4 s THR 93 Ca 0.57 -0.93 -0.16 0.00 -1.21 0.00 0.00 61.69 59.96 1jh4 s THR 93 Cb -0.03 -2.55 -0.04 0.00 -1.51 0.00 0.00 72.50 68.37 1jh4 s THR 93 CO -0.05 0.20 0.41 -0.83 -2.21 0.00 0.00 174.62 172.15 1jh4 s GLY 94 N 1.36 2.34 0.06 6.08 0.00 -1.26 -5.08 107.32 110.83 1jh4 s GLY 94 Ca 0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 44.72 44.40 1jh4 s GLY 94 CO -0.03 0.60 0.30 -1.34 0.00 0.00 0.00 173.10 172.62 1jh4 s VAL 95 N 0.40 5.26 0.44 1.40 -7.23 -1.26 -5.08 120.40 114.33 1jh4 s VAL 95 Ca 0.23 0.04 -0.24 0.00 -1.81 0.00 0.00 61.98 60.20 1jh4 s VAL 95 Cb -0.15 -3.60 -0.08 0.00 0.56 0.00 0.00 36.38 33.12 1jh4 s VAL 95 CO 0.08 0.22 1.19 -2.16 -0.31 0.00 0.00 175.10 174.13 1jh4 s PRO 96 N -2.17 3.82 -1.34 4.82 0.04 -1.26 -4.93 135.00 133.97 1jh4 s PRO 96 Ca 0.33 1.86 -0.13 0.00 0.04 0.00 0.00 61.00 63.11 1jh4 s PRO 96 Cb -0.13 -2.51 0.10 0.00 0.04 0.00 0.00 34.50 32.01 1jh4 s PRO 96 CO 0.21 -0.53 1.93 0.25 0.04 0.00 0.00 177.00 178.90 1jh4 n THR 97 N -0.31 3.92 0.43 1.26 -2.24 -1.26 -5.36 114.28 110.73 1jh4 n THR 97 Ca 0.06 -3.86 0.05 0.00 -2.27 0.00 0.00 64.05 58.04 1jh4 n THR 97 Cb 0.47 -2.47 0.04 0.00 -2.10 0.00 0.00 70.33 66.27 1jh4 n THR 97 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83