#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh4 s PRO 2 N 0.00 3.86 0.00 1.61 0.04 -1.26 -4.88 135.00 134.38 1jh4 s PRO 2 Ca 0.00 1.88 0.23 0.00 0.04 0.00 0.00 61.00 63.15 1jh4 s PRO 2 Cb 0.00 -4.06 0.13 0.00 0.04 0.00 0.00 34.50 30.62 1jh4 s PRO 2 CO 0.00 -1.22 1.20 1.47 0.04 0.00 0.00 177.00 178.49 1jh4 n LEU 3 N 8.31 2.72 -1.56 -3.56 -0.00 -1.26 -4.33 117.00 117.31 1jh4 n LEU 3 Ca 0.19 -0.93 -0.04 0.00 -0.00 0.00 0.00 56.01 55.23 1jh4 n LEU 3 Cb 0.44 0.00 0.20 0.00 -0.00 0.00 0.00 43.42 44.06 1jh4 n LEU 3 CO 0.64 0.46 0.80 0.61 -0.00 0.00 0.00 177.39 179.91 1jh4 n GLY 4 N 1.36 2.94 0.07 1.47 0.00 -1.26 -4.31 105.19 105.46 1jh4 n GLY 4 Ca 0.13 -0.64 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 1jh4 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1jh4 h SER 5 N 1.74 0.05 -0.32 1.61 0.87 -2.00 -3.32 113.55 112.18 1jh4 h SER 5 Ca 0.17 -0.99 0.09 0.00 -1.23 0.00 0.00 61.79 59.84 1jh4 h SER 5 Cb 1.77 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.70 1jh4 h SER 5 CO 0.48 1.05 0.44 -0.65 -0.53 0.00 0.00 176.83 177.62 1jh4 h PRO 6 N -0.94 0.00 -6.02 2.24 0.11 -1.93 -3.39 132.00 122.07 1jh4 h PRO 6 Ca -0.02 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.52 1jh4 h PRO 6 Cb 1.07 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 1jh4 h PRO 6 CO 0.01 0.00 0.41 -0.51 -0.21 0.00 0.00 178.00 177.70 1jh4 s LEU 7 N -6.96 4.20 -0.03 2.35 2.01 -1.25 -4.94 118.68 114.06 1jh4 s LEU 7 Ca -0.04 1.25 0.01 0.00 0.01 0.00 0.00 54.13 55.36 1jh4 s LEU 7 Cb 0.14 -3.29 -0.26 0.00 0.01 0.00 0.00 46.19 42.78 1jh4 s LEU 7 CO 0.47 -0.39 0.71 0.71 1.01 0.00 0.00 176.35 178.86 1jh4 h THR 8 N 5.14 0.97 0.28 5.49 1.35 -1.88 -2.95 112.91 121.30 1jh4 h THR 8 Ca -0.31 -2.68 -0.01 0.00 -0.55 0.00 0.00 66.41 62.86 1jh4 h THR 8 Cb 1.14 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 70.17 1jh4 h THR 8 CO 0.83 0.76 -0.14 0.00 -0.25 0.00 0.00 175.52 176.72 1jh4 h ALA 9 N 0.54 -1.08 -0.19 6.62 0.00 -1.96 -2.68 119.26 120.51 1jh4 h ALA 9 Ca -0.29 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.59 1jh4 h ALA 9 Cb 2.01 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 1jh4 h ALA 9 CO 0.12 -1.06 0.20 1.03 0.00 0.00 0.00 179.25 179.54 1jh4 h SER 10 N -0.38 0.00 -0.71 0.00 0.87 -1.92 -1.32 113.55 110.09 1jh4 h SER 10 Ca -0.04 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1jh4 h SER 10 Cb 0.29 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 1jh4 h SER 10 CO 0.06 0.00 0.26 0.24 -0.53 0.00 0.00 176.83 176.86 1jh4 h MET 11 N 0.00 1.07 0.49 2.24 2.86 -1.32 0.43 114.93 120.71 1jh4 h MET 11 Ca 0.09 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1jh4 h MET 11 Cb 0.49 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1jh4 h MET 11 CO -0.00 0.90 -0.32 1.25 1.06 0.00 0.00 176.91 179.80 1jh4 h LEU 12 N 1.02 -0.81 0.00 1.22 7.12 -0.91 -0.43 115.31 122.52 1jh4 h LEU 12 Ca 0.23 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.29 1jh4 h LEU 12 Cb 0.25 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1jh4 h LEU 12 CO -0.01 -0.49 0.00 0.00 -0.13 0.00 0.00 178.44 177.80 1jh4 n ALA 13 N -2.54 2.11 0.32 1.25 0.00 -1.10 -2.45 120.51 118.09 1jh4 n ALA 13 Ca -0.11 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.40 1jh4 n ALA 13 Cb 0.35 -1.10 0.26 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.66 3.20 -4.01 0.00 7.64 0.12 -4.93 113.62 114.98 1jh4 n SER 14 Ca 0.04 -1.96 -0.08 0.00 1.01 0.00 0.00 58.87 57.88 1jh4 n SER 14 Cb 0.02 -0.29 -0.11 0.00 -1.01 0.00 0.00 64.21 62.82 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 -1.41 0.24 0.88 -0.43 0.00 -1.03 -5.04 121.76 114.98 1jh4 s ALA 15 Ca 0.39 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 51.41 1jh4 s ALA 15 Cb 0.22 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 1jh4 s ALA 15 CO 0.30 -0.23 -0.51 -2.30 0.00 0.00 0.00 175.76 173.01 1jh4 n PRO 16 N 1.09 -0.72 0.00 0.00 -0.01 -1.26 -4.63 135.00 129.47 1jh4 n PRO 16 Ca -0.21 -0.21 -0.02 0.00 -0.01 0.00 0.00 63.50 63.05 1jh4 n PRO 16 Cb 0.57 -1.20 -0.01 0.00 -0.01 0.00 0.00 33.50 32.84 1jh4 n PRO 16 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 175.50 174.14 1jh4 h PRO 17 N -1.79 -0.08 0.00 0.52 0.11 -2.00 -1.50 132.00 127.26 1jh4 h PRO 17 Ca -0.28 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1jh4 h PRO 17 Cb 0.88 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1jh4 h PRO 17 CO 0.17 -0.06 0.00 0.00 -0.21 0.00 0.00 178.00 177.90 1jh4 n GLN 18 N -2.95 0.05 -1.09 1.05 10.64 -1.26 -2.64 117.38 121.17 1jh4 n GLN 18 Ca -0.01 0.25 -0.25 0.00 -1.83 0.00 0.00 57.00 55.16 1jh4 n GLN 18 Cb 0.05 -1.50 0.06 0.00 -0.86 0.00 0.00 30.24 27.99 1jh4 n GLN 18 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1jh4 n GLU 19 N -1.44 2.21 0.00 2.61 1.02 -0.57 -4.56 120.64 119.92 1jh4 n GLU 19 Ca 0.04 -2.37 0.00 0.00 -0.02 0.00 0.00 57.16 54.80 1jh4 n GLU 19 Cb 0.14 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 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 -0.26 0.00 0.00 3.49 -0.00 -1.08 -4.10 117.38 115.43 1jh4 n GLN 20 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.46 1jh4 n GLN 20 Cb 0.64 -0.44 0.00 0.00 -0.00 0.00 0.00 30.24 30.44 1jh4 n GLN 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1jh4 n LYS 21 N -0.20 0.97 0.38 2.61 4.76 -1.26 -4.20 118.16 121.22 1jh4 n LYS 21 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1jh4 n LYS 21 Cb 0.00 -1.26 -0.08 0.00 -1.84 0.00 0.00 35.03 31.85 1jh4 n LYS 21 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1jh4 h GLN 22 N 0.01 -0.94 0.00 1.97 4.20 -1.75 -3.14 115.11 115.47 1jh4 h GLN 22 Ca 0.00 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1jh4 h GLN 22 Cb 0.26 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1jh4 h GLN 22 CO 0.00 -0.61 0.00 -1.33 -0.67 0.00 0.00 178.83 176.22 1jh4 n MET 23 N -5.44 0.00 -0.23 1.46 2.81 -1.26 -3.82 117.12 110.65 1jh4 n MET 23 Ca -0.13 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.69 1jh4 n MET 23 Cb 0.39 -0.32 -0.01 0.00 -0.71 0.00 0.00 33.22 32.58 1jh4 n MET 23 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1jh4 n LEU 24 N 0.00 1.50 0.00 4.03 4.32 -1.26 -4.89 117.00 120.70 1jh4 n LEU 24 Ca 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 56.01 54.41 1jh4 n LEU 24 Cb 0.00 -0.68 0.00 0.00 -1.62 0.00 0.00 43.42 41.12 1jh4 n LEU 24 CO 0.00 -0.70 0.00 0.61 -1.22 0.00 0.00 177.39 176.08 1jh4 n GLY 25 N 3.95 0.28 0.00 -0.72 0.00 -1.18 -4.17 105.19 103.35 1jh4 n GLY 25 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 3.21 0.00 0.00 1.61 0.00 -1.26 -4.31 120.64 119.89 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 -0.33 0.00 0.00 0.00 0.00 0.00 31.44 31.11 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 -0.19 0.00 -0.04 3.44 3.00 -1.26 -4.90 116.66 116.72 1jh4 n ARG 27 Ca 0.00 -0.39 -0.14 0.00 -0.01 0.00 0.00 57.85 57.31 1jh4 n ARG 27 Cb 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 32.46 31.85 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 0.12 -0.76 0.55 3.38 -1.87 -3.17 115.31 113.56 1jh4 h LEU 28 Ca 0.00 -0.75 0.16 0.00 0.09 0.00 0.00 57.88 57.38 1jh4 h LEU 28 Cb 0.89 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.47 1jh4 h LEU 28 CO 0.00 0.85 -0.12 0.15 0.09 0.00 0.00 178.44 179.42 1jh4 h PHE 29 N -0.61 -0.27 -0.47 1.13 3.57 -1.82 0.50 116.94 118.98 1jh4 h PHE 29 Ca -0.01 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.63 1jh4 h PHE 29 Cb 0.87 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.78 1jh4 h PHE 29 CO 0.18 -0.30 0.10 -1.35 -2.23 0.00 0.00 178.31 174.71 1jh4 h PRO 30 N 0.03 0.23 -0.22 6.41 0.11 -1.87 0.79 132.00 137.49 1jh4 h PRO 30 Ca 0.38 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.40 1jh4 h PRO 30 Cb 0.63 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 1jh4 h PRO 30 CO -0.74 0.15 -0.19 -0.07 -0.21 0.00 0.00 178.00 176.94 1jh4 h LEU 31 N 0.23 0.55 -0.50 2.35 3.38 -0.71 -3.08 115.31 117.53 1jh4 h LEU 31 Ca 0.23 -0.46 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 1jh4 h LEU 31 Cb 0.30 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1jh4 h LEU 31 CO -0.30 0.90 -0.12 -0.29 0.09 0.00 0.00 178.44 178.71 1jh4 h ILE 32 N 0.20 1.27 -0.91 1.22 6.09 0.12 -2.52 117.51 122.98 1jh4 h ILE 32 Ca 0.04 -1.27 0.25 0.00 -1.37 0.00 0.00 64.86 62.51 1jh4 h ILE 32 Cb 0.73 1.05 -0.14 0.00 0.47 0.00 0.00 36.82 38.93 1jh4 h ILE 32 CO 0.05 0.44 0.36 -0.61 -3.07 0.00 0.00 178.15 175.32 1jh4 h GLN 33 N 0.83 0.28 -0.24 2.19 -0.00 0.64 2.73 115.11 121.54 1jh4 h GLN 33 Ca 0.13 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.75 1jh4 h GLN 33 Cb 0.69 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.09 1jh4 h GLN 33 CO 0.05 0.19 0.10 0.00 0.00 0.00 0.00 178.83 179.17 1jh4 h ALA 34 N 1.78 1.74 0.00 3.38 0.00 -1.36 -3.31 119.26 121.48 1jh4 h ALA 34 Ca 0.60 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.30 1jh4 h ALA 34 Cb 1.23 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1jh4 h ALA 34 CO -0.61 0.22 -1.47 -1.33 0.00 0.00 0.00 179.25 176.05 1jh4 n MET 35 N -4.45 0.55 -3.47 0.00 2.81 0.36 -5.03 117.12 107.88 1jh4 n MET 35 Ca 0.01 0.24 -0.20 0.00 -1.81 0.00 0.00 57.70 55.93 1jh4 n MET 35 Cb 0.12 -1.46 0.08 0.00 -0.71 0.00 0.00 33.22 31.25 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 -4.40 -2.51 0.00 2.03 8.25 0.83 -4.97 115.22 114.44 1jh4 n HIS 36 Ca -0.27 0.94 0.00 0.00 -0.26 0.00 0.00 57.72 58.13 1jh4 n HIS 36 Cb 0.63 -4.85 0.00 0.00 1.12 0.00 0.00 29.99 26.89 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 -4.49 0.00 -0.08 -0.41 -0.04 -1.26 -4.66 135.00 124.05 1jh4 n PRO 37 Ca -0.08 0.28 -0.07 0.00 -0.04 0.00 0.00 63.50 63.59 1jh4 n PRO 37 Cb 0.59 -1.24 -0.02 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.27 1.46 -3.15 0.52 5.66 -1.26 -5.02 114.28 111.22 1jh4 n THR 38 Ca 0.00 0.18 0.05 0.00 -3.05 0.00 0.00 64.05 61.22 1jh4 n THR 38 Cb 0.00 -2.37 -0.01 0.00 -1.55 0.00 0.00 70.33 66.40 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 -8.05 -0.82 0.15 1.09 1.43 -1.26 -5.06 118.68 106.16 1jh4 s LEU 39 Ca -0.23 0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 53.13 1jh4 s LEU 39 Cb 0.03 1.65 0.04 0.00 0.03 0.00 0.00 46.19 47.94 1jh4 s LEU 39 CO 0.33 -0.15 1.73 0.00 0.23 0.00 0.00 176.35 178.49 1jh4 h ALA 40 N 7.92 0.32 0.18 4.21 0.00 -1.90 1.18 119.26 131.18 1jh4 h ALA 40 Ca -0.15 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1jh4 h ALA 40 Cb 1.17 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1jh4 h ALA 40 CO 0.03 -0.36 -0.29 0.78 0.00 0.00 0.00 179.25 179.41 1jh4 h GLY 41 N 0.16 -0.59 1.39 0.00 0.00 -1.97 -1.83 103.07 100.24 1jh4 h GLY 41 Ca 0.15 0.34 -0.15 0.00 0.00 0.00 0.00 47.33 47.67 1jh4 h GLY 41 CO -0.21 -0.24 -0.45 0.50 0.00 0.00 0.00 176.54 176.14 1jh4 h LYS 42 N -0.55 0.66 -0.51 4.80 1.79 -1.94 -3.21 116.57 117.62 1jh4 h LYS 42 Ca 0.02 -0.37 0.06 0.00 -2.18 0.00 0.00 60.65 58.18 1jh4 h LYS 42 Cb 0.55 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.17 1jh4 h LYS 42 CO -0.13 0.98 0.22 0.97 -1.08 0.00 0.00 179.45 180.40 1jh4 h ILE 43 N 0.53 0.88 -0.64 1.86 2.10 0.16 -2.53 117.51 119.87 1jh4 h ILE 43 Ca 0.03 -0.14 0.13 0.00 1.08 0.00 0.00 64.86 65.96 1jh4 h ILE 43 Cb 0.99 0.42 -0.12 0.00 -1.09 0.00 0.00 36.82 37.03 1jh4 h ILE 43 CO 0.09 0.08 -0.16 0.74 -1.08 0.00 0.00 178.15 177.82 1jh4 h THR 44 N 0.42 0.36 -0.92 2.19 2.02 -1.33 0.25 112.91 115.90 1jh4 h THR 44 Ca 0.24 -0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.49 1jh4 h THR 44 Cb 0.21 0.36 -0.07 0.00 -1.74 0.00 0.00 68.15 66.91 1jh4 h THR 44 CO -0.21 0.00 0.58 1.23 0.37 0.00 0.00 175.52 177.49 1jh4 h GLY 45 N 0.00 1.42 0.45 2.16 0.00 -1.56 0.13 103.07 105.66 1jh4 h GLY 45 Ca 0.31 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1jh4 h GLY 45 CO -0.66 0.26 -0.09 -0.33 0.00 0.00 0.00 176.54 175.72 1jh4 h MET 46 N 1.02 -0.25 -0.02 4.80 2.07 -0.86 -2.98 114.93 118.70 1jh4 h MET 46 Ca 0.41 0.02 0.01 0.00 -2.07 0.00 0.00 59.70 58.07 1jh4 h MET 46 Cb 0.23 0.06 -0.00 0.00 -1.87 0.00 0.00 31.60 30.02 1jh4 h MET 46 CO -0.19 0.15 0.10 -0.07 1.07 0.00 0.00 176.91 177.97 1jh4 h LEU 47 N -0.82 0.00 -1.15 1.22 -0.00 -0.44 -2.83 115.31 111.29 1jh4 h LEU 47 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 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 0.04 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.66 1jh4 n LEU 48 N -3.20 0.10 0.00 1.67 4.32 0.44 -3.37 117.00 116.96 1jh4 n LEU 48 Ca -0.02 -0.05 0.10 0.00 -0.02 0.00 0.00 56.01 56.02 1jh4 n LEU 48 Cb 0.18 -0.04 0.47 0.00 -1.62 0.00 0.00 43.42 42.41 1jh4 n LEU 48 CO 0.20 0.02 0.84 1.21 -1.22 0.00 0.00 177.39 178.44 1jh4 n GLU 49 N 0.54 0.04 -3.77 3.23 0.00 -1.07 -4.82 120.64 114.78 1jh4 n GLU 49 Ca 0.00 0.13 -0.22 0.00 0.00 0.00 0.00 57.16 57.06 1jh4 n GLU 49 Cb 0.02 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 29.92 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 -2.95 2.47 0.36 6.31 2.07 -1.22 -5.12 121.20 123.12 1jh4 s ILE 50 Ca 0.12 -1.47 -0.26 0.00 -1.41 0.00 0.00 60.65 57.63 1jh4 s ILE 50 Cb 0.14 -2.93 -0.09 0.00 0.13 0.00 0.00 42.46 39.71 1jh4 s ILE 50 CO 0.38 0.00 1.07 -0.62 -1.91 0.00 0.00 174.94 173.86 1jh4 s ASP 51 N -4.07 6.93 0.58 4.50 -1.08 -1.26 -4.90 116.67 117.36 1jh4 s ASP 51 Ca 0.45 2.12 0.36 0.00 -0.52 0.00 0.00 52.55 54.97 1jh4 s ASP 51 Cb -0.01 -2.60 1.40 0.00 -1.46 0.00 0.00 42.92 40.25 1jh4 s ASP 51 CO 0.26 -0.37 1.59 -1.13 0.52 0.00 0.00 175.17 176.04 1jh4 h ASN 52 N 2.96 0.00 0.60 -0.34 -0.73 -2.00 0.74 115.58 116.82 1jh4 h ASN 52 Ca -0.48 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 57.61 1jh4 h ASN 52 Cb 1.21 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.79 1jh4 h ASN 52 CO 0.64 0.00 -0.42 0.28 -0.37 0.00 0.00 177.43 177.56 1jh4 h SER 53 N 0.00 0.00 0.17 1.15 0.02 -2.01 -2.89 113.55 110.00 1jh4 h SER 53 Ca 0.60 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.27 1jh4 h SER 53 Cb 2.75 0.00 0.02 0.00 0.14 0.00 0.00 62.40 65.30 1jh4 h SER 53 CO -0.01 0.42 -1.33 -0.33 -1.14 0.00 0.00 176.83 174.44 1jh4 h GLU 54 N 0.00 0.36 0.00 3.45 4.39 0.15 -3.18 114.58 119.75 1jh4 h GLU 54 Ca -0.00 -0.61 -0.01 0.00 0.34 0.00 0.00 59.36 59.08 1jh4 h GLU 54 Cb 0.83 0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1jh4 h GLU 54 CO 0.05 1.29 -0.03 -0.07 -1.16 0.00 0.00 179.01 179.10 1jh4 h LEU 55 N -0.14 0.00 -0.27 1.33 4.07 -1.55 -1.12 115.31 117.63 1jh4 h LEU 55 Ca -0.26 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.64 1jh4 h LEU 55 Cb 1.89 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.62 1jh4 h LEU 55 CO 0.16 0.03 -0.09 -0.07 -1.08 0.00 0.00 178.44 177.39 1jh4 h LEU 56 N 0.00 0.55 -1.29 1.67 4.07 -1.59 -2.90 115.31 115.81 1jh4 h LEU 56 Ca -0.00 -0.38 0.08 0.00 0.08 0.00 0.00 57.88 57.66 1jh4 h LEU 56 Cb 0.05 -0.15 -0.05 0.00 1.08 0.00 0.00 40.66 41.59 1jh4 h LEU 56 CO 0.00 0.80 0.53 0.45 -1.08 0.00 0.00 178.44 179.14 1jh4 h HIS 57 N 0.28 0.85 -0.09 1.13 3.86 -1.20 -1.90 115.15 118.09 1jh4 h HIS 57 Ca 0.07 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1jh4 h HIS 57 Cb 0.58 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1jh4 h HIS 57 CO 0.05 0.43 0.00 0.52 0.86 0.00 0.00 177.93 179.79 1jh4 h MET 58 N 0.82 0.03 0.00 2.45 2.86 -1.21 0.98 114.93 120.86 1jh4 h MET 58 Ca 0.36 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1jh4 h MET 58 Cb 0.33 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1jh4 h MET 58 CO -0.13 0.02 -0.02 1.25 1.06 0.00 0.00 176.91 179.09 1jh4 h LEU 59 N 0.03 0.00 0.00 1.22 6.46 -1.23 -1.22 115.31 120.58 1jh4 h LEU 59 Ca 0.04 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1jh4 h LEU 59 Cb 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1jh4 h LEU 59 CO -0.06 0.02 -1.19 -0.62 -0.62 0.00 0.00 178.44 175.97 1jh4 n GLU 60 N -3.83 0.12 -3.58 1.25 -0.58 -0.66 -4.79 120.64 108.57 1jh4 n GLU 60 Ca -0.03 -0.04 -0.29 0.00 -0.42 0.00 0.00 57.16 56.38 1jh4 n GLU 60 Cb 0.11 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.33 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 -3.28 3.55 0.54 1.62 0.01 0.33 -5.00 113.70 111.47 1jh4 s SER 61 Ca 0.05 -1.63 0.29 0.00 1.31 0.00 0.00 55.95 55.97 1jh4 s SER 61 Cb 0.16 -0.52 1.46 0.00 0.21 0.00 0.00 66.02 67.32 1jh4 s SER 61 CO 0.88 -0.40 1.92 -0.65 0.41 0.00 0.00 173.24 175.40 1jh4 h PRO 62 N 7.96 0.00 0.68 12.44 0.11 -1.84 -0.69 132.00 150.66 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 1.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.11 1jh4 h PRO 62 CO 0.41 0.00 -0.33 1.05 -0.21 0.00 0.00 178.00 178.93 1jh4 h GLU 63 N 0.00 -0.88 -0.08 1.05 -0.00 -1.94 -0.50 114.58 112.22 1jh4 h GLU 63 Ca 0.34 0.06 -0.11 0.00 -0.00 0.00 0.00 59.36 59.65 1jh4 h GLU 63 Cb 1.41 0.20 -0.01 0.00 -0.00 0.00 0.00 28.75 30.35 1jh4 h GLU 63 CO -0.00 -0.59 -0.44 1.03 -0.00 0.00 0.00 179.01 179.01 1jh4 h SER 64 N -0.93 0.20 0.61 3.06 0.87 -1.74 -2.74 113.55 112.88 1jh4 h SER 64 Ca -0.09 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.36 1jh4 h SER 64 Cb 0.71 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 1jh4 h SER 64 CO 0.15 0.62 -0.50 0.25 -0.53 0.00 0.00 176.83 176.82 1jh4 h LEU 65 N 0.16 -1.34 -1.90 2.23 6.46 -0.92 -2.23 115.31 117.78 1jh4 h LEU 65 Ca 0.01 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1jh4 h LEU 65 Cb 0.85 0.42 -0.00 0.00 -0.73 0.00 0.00 40.66 41.20 1jh4 h LEU 65 CO 0.07 -0.70 -0.09 0.03 -0.62 0.00 0.00 178.44 177.12 1jh4 h ARG 66 N -1.09 0.00 -0.22 1.25 3.08 -1.10 -2.53 114.38 113.78 1jh4 h ARG 66 Ca -0.08 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.01 1jh4 h ARG 66 Cb 0.91 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 1jh4 h ARG 66 CO -0.00 0.09 -0.00 0.77 -1.07 0.00 0.00 179.97 179.75 1jh4 h SER 67 N 0.00 -0.09 -0.01 7.04 0.02 -1.10 0.20 113.55 119.61 1jh4 h SER 67 Ca -0.00 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1jh4 h SER 67 Cb 0.17 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1jh4 h SER 67 CO 0.01 -0.02 -0.09 0.11 -1.14 0.00 0.00 176.83 175.70 1jh4 h LYS 68 N 0.06 0.08 0.12 3.45 1.79 -1.22 -2.84 116.57 118.02 1jh4 h LYS 68 Ca 0.10 -0.07 0.02 0.00 -2.18 0.00 0.00 60.65 58.51 1jh4 h LYS 68 Cb 0.13 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 1jh4 h LYS 68 CO -0.17 0.76 -0.22 0.28 -1.08 0.00 0.00 179.45 179.02 1jh4 h VAL 69 N -0.57 0.51 -0.19 0.50 2.07 -1.41 0.21 116.25 117.37 1jh4 h VAL 69 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1jh4 h VAL 69 Cb 0.78 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1jh4 h VAL 69 CO 0.02 0.00 -0.25 0.44 0.02 0.00 0.00 177.57 177.80 1jh4 h ASP 70 N -0.41 -0.79 0.28 0.57 3.32 -0.71 0.52 116.42 119.19 1jh4 h ASP 70 Ca 0.03 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1jh4 h ASP 70 Cb 0.43 0.36 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1jh4 h ASP 70 CO -0.12 -0.29 -0.39 -0.33 -1.72 0.00 0.00 179.24 176.39 1jh4 h GLU 71 N -0.29 -0.67 -0.87 3.56 3.07 -1.23 -2.21 114.58 115.95 1jh4 h GLU 71 Ca 0.12 0.05 0.21 0.00 -0.50 0.00 0.00 59.36 59.24 1jh4 h GLU 71 Cb 0.47 0.15 -0.13 0.00 -0.84 0.00 0.00 28.75 28.40 1jh4 h GLU 71 CO -0.35 -0.45 0.32 0.00 -1.40 0.00 0.00 179.01 177.13 1jh4 h ALA 72 N -0.99 1.32 -0.87 3.43 0.00 -0.73 0.83 119.26 122.25 1jh4 h ALA 72 Ca -0.03 0.18 0.22 0.00 0.00 0.00 0.00 54.91 55.27 1jh4 h ALA 72 Cb 0.63 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1jh4 h ALA 72 CO -0.11 -0.37 0.59 0.28 0.00 0.00 0.00 179.25 179.64 1jh4 h VAL 73 N 0.33 0.64 0.23 0.00 2.07 -0.28 1.20 116.25 120.44 1jh4 h VAL 73 Ca 0.54 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.96 1jh4 h VAL 73 Cb 1.02 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1jh4 h VAL 73 CO -0.56 0.05 -0.11 0.00 0.02 0.00 0.00 177.57 176.97 1jh4 h ALA 74 N 1.60 -0.31 0.58 1.67 0.00 1.00 -2.89 119.26 120.92 1jh4 h ALA 74 Ca 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1jh4 h ALA 74 Cb 1.32 0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.23 1jh4 h ALA 74 CO -0.12 -0.33 -0.28 0.28 0.00 0.00 0.00 179.25 178.81 1jh4 h VAL 75 N -1.00 0.00 0.03 0.00 2.07 -0.65 -2.69 116.25 114.01 1jh4 h VAL 75 Ca -0.03 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1jh4 h VAL 75 Cb 0.42 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 1jh4 h VAL 75 CO 0.05 0.00 -0.53 0.25 0.02 0.00 0.00 177.57 177.37 1jh4 h LEU 76 N -0.99 -1.61 -1.93 2.57 6.46 0.12 1.44 115.31 121.36 1jh4 h LEU 76 Ca -0.08 0.18 0.23 0.00 -0.12 0.00 0.00 57.88 58.09 1jh4 h LEU 76 Cb 0.60 0.61 -0.03 0.00 -0.73 0.00 0.00 40.66 41.11 1jh4 h LEU 76 CO 0.13 -0.52 0.65 -0.61 -0.62 0.00 0.00 178.44 177.47 1jh4 h GLN 77 N -0.68 0.00 0.00 1.25 4.15 -1.56 0.26 115.11 118.52 1jh4 h GLN 77 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1jh4 h GLN 77 Cb 0.72 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.41 1jh4 h GLN 77 CO -0.33 0.00 -0.08 0.00 -1.93 0.00 0.00 178.83 176.48 1jh4 h ALA 78 N 1.44 0.00 0.67 3.38 0.00 -0.26 -3.30 119.26 121.19 1jh4 h ALA 78 Ca 0.37 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1jh4 h ALA 78 Cb 1.66 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1jh4 h ALA 78 CO -0.00 0.08 -0.35 0.45 0.00 0.00 0.00 179.25 179.42 1jh4 h HIS 79 N -0.75 -0.93 -0.18 0.00 3.86 0.23 -2.90 115.15 114.48 1jh4 h HIS 79 Ca 0.00 -0.02 -0.23 0.00 -1.16 0.00 0.00 60.37 58.97 1jh4 h HIS 79 Cb 0.08 0.32 -0.08 0.00 1.06 0.00 0.00 27.41 28.79 1jh4 h HIS 79 CO -0.04 -0.55 -0.22 1.04 0.86 0.00 0.00 177.93 179.02 1jh4 n GLN 80 N -4.63 1.98 -2.81 2.45 1.13 0.86 -4.74 117.38 111.61 1jh4 n GLN 80 Ca -0.12 -1.14 -0.43 0.00 -1.94 0.00 0.00 57.00 53.37 1jh4 n GLN 80 Cb 0.38 -1.93 0.00 0.00 0.11 0.00 0.00 30.24 28.80 1jh4 n GLN 80 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jh4 n ALA 81 N 2.12 4.71 -1.75 -1.58 0.00 -1.10 -4.76 120.51 118.15 1jh4 n ALA 81 Ca 0.40 -4.45 -0.38 0.00 0.00 0.00 0.00 53.44 49.01 1jh4 n ALA 81 Cb 0.82 -2.80 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 1jh4 n ALA 81 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jh4 s LYS 82 N -0.15 2.49 -0.41 0.00 1.02 -1.26 -4.92 119.74 116.52 1jh4 s LYS 82 Ca 0.38 1.25 -0.28 0.00 0.02 0.00 0.00 55.97 57.34 1jh4 s LYS 82 Cb 0.02 -4.46 0.02 0.00 -0.52 0.00 0.00 37.83 32.89 1jh4 s LYS 82 CO 0.01 -2.84 1.03 -1.83 -0.92 0.00 0.00 175.35 170.80 1jh4 s GLU 83 N 7.42 3.79 0.65 1.68 -1.05 -1.26 -5.03 118.70 124.91 1jh4 s GLU 83 Ca 0.87 0.61 -0.13 0.00 -0.15 0.00 0.00 54.97 56.17 1jh4 s GLU 83 Cb -0.18 -3.85 -0.01 0.00 -0.44 0.00 0.00 34.13 29.65 1jh4 s GLU 83 CO 0.26 -1.14 1.05 0.00 0.95 0.00 0.00 175.26 176.39 1jh4 s ALA 84 N 3.90 2.75 -0.74 -0.84 0.00 -1.26 -4.89 121.76 120.68 1jh4 s ALA 84 Ca 0.43 0.17 -0.23 0.00 0.00 0.00 0.00 51.96 52.33 1jh4 s ALA 84 Cb -0.10 -3.18 -0.17 0.00 0.00 0.00 0.00 23.12 19.67 1jh4 s ALA 84 CO 0.24 -1.01 1.90 0.00 0.00 0.00 0.00 175.76 176.89 1jh4 n ALA 85 N -2.71 3.03 0.12 0.00 0.00 -1.26 -4.54 120.51 115.16 1jh4 n ALA 85 Ca 0.08 -3.25 0.01 0.00 0.00 0.00 0.00 53.44 50.28 1jh4 n ALA 85 Cb 0.53 -3.64 0.00 0.00 0.00 0.00 0.00 19.45 16.35 1jh4 n ALA 85 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1jh4 h GLN 86 N 8.17 0.00 0.00 0.00 4.15 -2.02 -3.46 115.11 121.94 1jh4 h GLN 86 Ca 0.40 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.50 1jh4 h GLN 86 Cb 0.69 0.00 0.06 0.00 0.21 0.00 0.00 27.48 28.44 1jh4 h GLN 86 CO 1.92 0.57 0.10 1.63 -1.93 0.00 0.00 178.83 181.11 1jh4 n LYS 87 N -3.23 0.02 -2.80 1.69 5.02 -1.26 -5.03 118.16 112.57 1jh4 n LYS 87 Ca 0.01 -1.84 -0.43 0.00 -2.02 0.00 0.00 58.31 54.03 1jh4 n LYS 87 Cb 0.77 -0.50 -0.04 0.00 -0.02 0.00 0.00 35.03 35.24 1jh4 n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jh4 s ALA 88 N -3.13 3.18 0.64 7.82 0.00 -1.26 -5.03 121.76 123.98 1jh4 s ALA 88 Ca 0.46 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1jh4 s ALA 88 Cb -0.02 -3.72 0.07 0.00 0.00 0.00 0.00 23.12 19.45 1jh4 s ALA 88 CO 0.31 -2.24 0.89 0.14 0.00 0.00 0.00 175.76 174.87 1jh4 s VAL 89 N 3.95 2.41 0.09 0.00 -7.23 -1.26 -5.05 120.40 113.31 1jh4 s VAL 89 Ca 0.35 -0.57 -0.30 0.00 -1.81 0.00 0.00 61.98 59.65 1jh4 s VAL 89 Cb -0.11 -2.85 -0.06 0.00 0.56 0.00 0.00 36.38 33.93 1jh4 s VAL 89 CO 0.24 0.00 1.18 0.20 -0.31 0.00 0.00 175.10 176.41 1jh4 s ASN 90 N -4.55 7.11 0.28 4.85 -0.87 -1.26 -5.01 114.94 115.49 1jh4 s ASN 90 Ca 0.61 2.04 -0.26 0.00 -1.57 0.00 0.00 52.86 53.68 1jh4 s ASN 90 Cb -0.09 -2.58 -0.09 0.00 -0.02 0.00 0.00 41.25 38.47 1jh4 s ASN 90 CO 0.42 -0.42 0.90 -0.55 -2.57 0.00 0.00 177.10 174.87 1jh4 s SER 91 N 0.81 7.37 0.00 -1.22 0.15 -1.26 -5.03 113.70 114.52 1jh4 s SER 91 Ca 0.57 1.79 0.00 0.00 0.70 0.00 0.00 55.95 59.00 1jh4 s SER 91 Cb -0.29 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.46 1jh4 s SER 91 CO 0.31 0.02 0.00 0.00 1.20 0.00 0.00 173.24 174.76 1jh4 n ALA 92 N 0.86 0.00 -2.63 5.45 0.00 -1.26 -4.67 120.51 118.26 1jh4 n ALA 92 Ca -0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 1jh4 n ALA 92 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.95 1jh4 n ALA 92 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1jh4 n THR 93 N -1.18 5.24 -2.63 0.00 -1.04 -1.26 -4.99 114.28 108.42 1jh4 n THR 93 Ca 0.00 -5.73 -0.42 0.00 -2.04 0.00 0.00 64.05 55.85 1jh4 n THR 93 Cb 0.00 -1.49 -0.03 0.00 -1.82 0.00 0.00 70.33 67.00 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 -1.77 1.22 -0.10 3.41 0.00 -1.26 -5.02 107.32 103.80 1jh4 s GLY 94 Ca 0.42 -0.81 -0.08 0.00 0.00 0.00 0.00 44.72 44.25 1jh4 s GLY 94 CO -0.16 2.40 0.19 -1.34 0.00 0.00 0.00 173.10 174.19 1jh4 s VAL 95 N 4.66 5.43 0.00 1.40 -7.23 -1.26 -5.06 120.40 118.34 1jh4 s VAL 95 Ca 0.42 0.32 -0.30 0.00 -1.81 0.00 0.00 61.98 60.60 1jh4 s VAL 95 Cb -0.08 -3.45 -0.06 0.00 0.56 0.00 0.00 36.38 33.35 1jh4 s VAL 95 CO 0.26 0.61 1.48 -2.16 -0.31 0.00 0.00 175.10 174.98 1jh4 s PRO 96 N -1.05 4.25 -1.33 4.82 0.04 -1.26 -4.93 135.00 135.54 1jh4 s PRO 96 Ca 0.17 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 63.14 1jh4 s PRO 96 Cb -0.13 -3.64 0.11 0.00 0.04 0.00 0.00 34.50 30.89 1jh4 s PRO 96 CO 0.06 -0.65 1.92 -2.37 0.04 0.00 0.00 177.00 176.00 1jh4 n THR 97 N 4.81 3.99 -0.75 1.26 5.66 -1.26 -5.35 114.28 122.64 1jh4 n THR 97 Ca 0.14 -3.95 0.00 0.00 -3.05 0.00 0.00 64.05 57.19 1jh4 n THR 97 Cb 0.43 -2.45 0.00 0.00 -1.55 0.00 0.00 70.33 66.75 1jh4 n THR 97 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35