#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 0.70 0.64 1.61 0.04 -1.26 -5.01 135.00 131.71 1jh4 s PRO 2 Ca 0.00 0.50 -0.16 0.00 0.04 0.00 0.00 61.00 61.38 1jh4 s PRO 2 Cb 0.00 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 1jh4 s PRO 2 CO 0.00 -2.55 1.11 -0.48 0.04 0.00 0.00 177.00 175.13 1jh4 s LEU 3 N -6.33 3.44 -1.36 -3.56 2.34 -1.26 -4.90 118.68 107.05 1jh4 s LEU 3 Ca 0.65 2.02 -0.16 0.00 0.06 0.00 0.00 54.13 56.70 1jh4 s LEU 3 Cb -0.18 -4.55 0.02 0.00 -0.56 0.00 0.00 46.19 40.92 1jh4 s LEU 3 CO 0.57 -1.56 2.10 0.61 -1.06 0.00 0.00 176.35 177.00 1jh4 n GLY 4 N -0.44 3.81 0.09 -3.48 0.00 -1.26 -4.59 105.19 99.33 1jh4 n GLY 4 Ca 0.10 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 1jh4 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jh4 n SER 5 N 6.87 1.87 -4.64 1.61 2.88 -1.26 -4.94 113.62 116.01 1jh4 n SER 5 Ca 0.51 0.48 -0.47 0.00 -1.33 0.00 0.00 58.87 58.05 1jh4 n SER 5 Cb 0.41 -0.87 -0.04 0.00 -0.75 0.00 0.00 64.21 62.96 1jh4 n SER 5 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1jh4 n PRO 6 N -4.48 1.71 -3.71 -1.46 -0.02 -1.26 -4.97 135.00 120.81 1jh4 n PRO 6 Ca -0.23 0.61 -0.37 0.00 -2.02 0.00 0.00 63.50 61.50 1jh4 n PRO 6 Cb 0.53 -2.26 -0.07 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.48 4.33 -0.06 2.45 2.01 -1.26 -5.00 118.68 121.63 1jh4 s LEU 7 Ca 0.75 0.51 -0.08 0.00 0.01 0.00 0.00 54.13 55.31 1jh4 s LEU 7 Cb -0.75 -2.23 -0.29 0.00 0.01 0.00 0.00 46.19 42.93 1jh4 s LEU 7 CO 0.47 0.28 0.60 0.71 1.01 0.00 0.00 176.35 179.42 1jh4 h THR 8 N 4.24 0.86 0.05 5.49 1.35 -1.98 -2.81 112.91 120.12 1jh4 h THR 8 Ca -0.48 -2.49 -0.00 0.00 -0.55 0.00 0.00 66.41 62.88 1jh4 h THR 8 Cb 1.20 2.68 -0.00 0.00 -1.73 0.00 0.00 68.15 70.30 1jh4 h THR 8 CO 0.66 0.86 -0.03 0.00 -0.25 0.00 0.00 175.52 176.76 1jh4 h ALA 9 N 0.16 -0.90 -0.11 6.62 0.00 -2.01 -2.20 119.26 120.82 1jh4 h ALA 9 Ca -0.36 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.57 1jh4 h ALA 9 Cb 2.07 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 20.02 1jh4 h ALA 9 CO 0.15 -0.90 0.15 1.03 0.00 0.00 0.00 179.25 179.69 1jh4 h SER 10 N -0.08 0.00 -0.53 0.00 0.87 -1.98 -1.42 113.55 110.41 1jh4 h SER 10 Ca -0.01 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1jh4 h SER 10 Cb 0.06 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1jh4 h SER 10 CO 0.01 0.00 0.21 -0.03 -0.53 0.00 0.00 176.83 176.48 1jh4 h MET 11 N 0.00 0.79 0.40 2.24 1.85 -1.19 0.28 114.93 119.31 1jh4 h MET 11 Ca 0.05 -0.15 -0.01 0.00 -0.61 0.00 0.00 59.70 58.99 1jh4 h MET 11 Cb 0.35 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.24 1jh4 h MET 11 CO -0.00 0.70 -0.33 1.25 -0.40 0.00 0.00 176.91 178.13 1jh4 h LEU 12 N 0.72 -0.88 0.00 3.39 7.12 -0.65 0.06 115.31 125.06 1jh4 h LEU 12 Ca 0.18 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.26 1jh4 h LEU 12 Cb 0.21 0.29 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 0.00 178.44 177.81 1jh4 n ALA 13 N -2.60 2.10 -0.27 1.25 0.00 -1.11 -2.39 120.51 117.48 1jh4 n ALA 13 Ca -0.10 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.43 1jh4 n ALA 13 Cb 0.35 -1.08 0.31 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.63 3.91 -4.01 0.00 2.88 0.07 -4.94 113.62 110.91 1jh4 n SER 14 Ca 0.04 -2.00 -0.10 0.00 -1.33 0.00 0.00 58.87 55.47 1jh4 n SER 14 Cb 0.02 -0.46 -0.11 0.00 -0.75 0.00 0.00 64.21 62.90 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 -1.08 0.29 0.88 -1.46 0.00 -1.01 -5.03 121.76 114.35 1jh4 s ALA 15 Ca 0.48 -0.66 -0.20 0.00 0.00 0.00 0.00 51.96 51.58 1jh4 s ALA 15 Cb 0.25 0.11 -0.13 0.00 0.00 0.00 0.00 23.12 23.36 1jh4 s ALA 15 CO 0.34 -0.11 -1.07 -2.30 0.00 0.00 0.00 175.76 172.62 1jh4 n PRO 16 N 1.54 -0.11 0.00 0.00 -0.01 -1.26 -4.65 135.00 130.52 1jh4 n PRO 16 Ca -0.23 -0.03 0.00 0.00 -0.01 0.00 0.00 63.50 63.22 1jh4 n PRO 16 Cb 0.55 -1.04 0.00 0.00 -0.01 0.00 0.00 33.50 33.00 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 2.11 0.00 0.18 0.52 -0.02 -1.26 -1.76 135.00 134.77 1jh4 n PRO 17 Ca -0.01 0.66 0.13 0.00 -2.02 0.00 0.00 63.50 62.25 1jh4 n PRO 17 Cb 0.55 -1.38 0.63 0.00 -0.02 0.00 0.00 33.50 33.28 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 -1.59 -0.52 -0.00 -2.02 -2.67 115.11 108.32 1jh4 h GLN 18 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.39 1jh4 h GLN 18 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 27.48 27.37 1jh4 h GLN 18 CO 0.00 0.00 0.34 0.39 -0.00 0.00 0.00 178.83 179.56 1jh4 n GLU 19 N -2.37 1.65 0.00 0.06 -0.58 -0.72 -4.48 120.64 114.19 1jh4 n GLU 19 Ca -0.00 -1.27 0.00 0.00 -0.42 0.00 0.00 57.16 55.46 1jh4 n GLU 19 Cb 0.11 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 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 0.53 0.00 0.00 3.49 10.64 -1.01 -4.12 117.38 126.91 1jh4 n GLN 20 Ca 0.24 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.41 1jh4 n GLN 20 Cb 0.58 -0.40 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 -0.18 0.95 0.11 2.61 4.76 -1.26 -4.03 118.16 121.12 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 -1.18 -0.08 0.00 -1.84 0.00 0.00 35.03 31.93 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 0.02 -0.23 0.00 1.97 1.08 -1.77 -3.25 115.11 112.93 1jh4 h GLN 22 Ca 0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1jh4 h GLN 22 Cb 0.18 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1jh4 h GLN 22 CO 0.00 -0.05 0.00 -1.33 -0.95 0.00 0.00 178.83 176.50 1jh4 n MET 23 N -5.13 0.00 -0.23 1.46 2.81 -1.26 -4.09 117.12 110.68 1jh4 n MET 23 Ca -0.09 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.70 1jh4 n MET 23 Cb 0.17 -0.23 -0.02 0.00 -0.71 0.00 0.00 33.22 32.43 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 0.00 1.25 0.00 4.03 -0.00 -1.26 -4.88 117.00 116.14 1jh4 n LEU 24 Ca 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 56.01 54.51 1jh4 n LEU 24 Cb 0.00 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 42.78 1jh4 n LEU 24 CO 0.00 -0.90 0.00 0.61 -0.00 0.00 0.00 177.39 177.10 1jh4 n GLY 25 N 4.06 0.47 0.00 1.47 0.00 -1.22 -3.92 105.19 106.04 1jh4 n GLY 25 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 5.46 0.00 -0.16 1.61 0.28 -1.26 -4.43 120.64 122.14 1jh4 n GLU 26 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1jh4 n GLU 26 Cb 0.00 -0.56 0.00 0.00 1.43 0.00 0.00 31.44 32.31 1jh4 n GLU 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1jh4 n ARG 27 N -0.40 0.00 0.04 3.44 5.12 -1.25 -4.91 116.66 118.69 1jh4 n ARG 27 Ca 0.00 -0.48 -0.20 0.00 -1.93 0.00 0.00 57.85 55.24 1jh4 n ARG 27 Cb 0.00 -0.36 -0.11 0.00 -1.16 0.00 0.00 32.46 30.83 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 0.83 -0.46 0.55 3.38 -1.90 -3.20 115.31 114.50 1jh4 h LEU 28 Ca 0.00 -0.76 0.09 0.00 0.09 0.00 0.00 57.88 57.31 1jh4 h LEU 28 Cb 1.09 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.49 1jh4 h LEU 28 CO 0.00 1.48 -0.25 0.15 0.09 0.00 0.00 178.44 179.91 1jh4 h PHE 29 N 0.26 -0.66 -0.58 1.13 3.57 -1.80 1.08 116.94 119.94 1jh4 h PHE 29 Ca -0.13 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.49 1jh4 h PHE 29 Cb 1.64 0.36 -0.05 0.00 2.79 0.00 0.00 35.95 40.69 1jh4 h PHE 29 CO 0.12 -0.33 0.28 -1.35 -2.23 0.00 0.00 178.31 174.80 1jh4 h PRO 30 N -0.16 0.51 -0.15 6.41 0.11 -1.88 1.30 132.00 138.14 1jh4 h PRO 30 Ca 0.21 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 1jh4 h PRO 30 Cb 0.49 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 1jh4 h PRO 30 CO -0.56 0.34 -0.14 -0.07 -0.21 0.00 0.00 178.00 177.36 1jh4 h LEU 31 N 0.52 0.38 -0.34 2.35 3.38 -1.14 -3.02 115.31 117.45 1jh4 h LEU 31 Ca 0.27 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1jh4 h LEU 31 Cb 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1jh4 h LEU 31 CO -0.20 0.77 -0.06 -0.29 0.09 0.00 0.00 178.44 178.75 1jh4 h ILE 32 N -0.00 1.27 -0.97 1.22 -0.00 0.14 -2.58 117.51 116.60 1jh4 h ILE 32 Ca 0.03 -1.09 0.30 0.00 -0.00 0.00 0.00 64.86 64.10 1jh4 h ILE 32 Cb 0.66 1.30 -0.17 0.00 -0.00 0.00 0.00 36.82 38.61 1jh4 h ILE 32 CO 0.03 0.36 0.25 -0.61 -0.00 0.00 0.00 178.15 178.18 1jh4 h GLN 33 N 0.43 0.07 -0.26 2.19 4.15 0.17 2.55 115.11 124.41 1jh4 h GLN 33 Ca 0.09 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1jh4 h GLN 33 Cb 0.54 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 1jh4 h GLN 33 CO 0.03 0.05 0.16 0.00 -1.93 0.00 0.00 178.83 177.14 1jh4 h ALA 34 N 1.93 1.80 0.00 3.38 0.00 -1.33 -3.28 119.26 121.77 1jh4 h ALA 34 Ca 0.66 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 55.34 1jh4 h ALA 34 Cb 1.50 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1jh4 h ALA 34 CO -0.80 0.18 -1.63 -1.33 0.00 0.00 0.00 179.25 175.67 1jh4 n MET 35 N -4.49 0.55 -3.53 0.00 2.81 0.68 -5.03 117.12 108.11 1jh4 n MET 35 Ca 0.01 0.27 -0.23 0.00 -1.81 0.00 0.00 57.70 55.94 1jh4 n MET 35 Cb 0.08 -1.49 0.07 0.00 -0.71 0.00 0.00 33.22 31.17 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 -4.38 -2.73 0.00 2.03 8.25 0.70 -4.82 115.22 114.27 1jh4 n HIS 36 Ca -0.32 0.96 0.00 0.00 -0.26 0.00 0.00 57.72 58.10 1jh4 n HIS 36 Cb 0.67 -4.82 0.00 0.00 1.12 0.00 0.00 29.99 26.95 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 -4.76 0.00 -0.03 -0.41 -0.04 -1.26 -4.28 135.00 124.22 1jh4 n PRO 37 Ca 0.01 0.38 -0.03 0.00 -0.04 0.00 0.00 63.50 63.82 1jh4 n PRO 37 Cb 0.56 -1.27 -0.01 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.48 0.59 -3.15 0.52 -2.24 -1.26 -4.87 114.28 102.39 1jh4 n THR 38 Ca 0.00 0.36 0.04 0.00 -2.27 0.00 0.00 64.05 62.18 1jh4 n THR 38 Cb 0.00 -1.85 -0.01 0.00 -2.10 0.00 0.00 70.33 66.37 1jh4 n THR 38 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1jh4 s LEU 39 N -6.13 -1.28 0.17 3.22 1.98 -1.26 -5.06 118.68 110.32 1jh4 s LEU 39 Ca -0.10 0.81 -0.17 0.00 -2.89 0.00 0.00 54.13 51.78 1jh4 s LEU 39 Cb 0.01 2.08 0.11 0.00 0.66 0.00 0.00 46.19 49.05 1jh4 s LEU 39 CO 0.15 -0.24 1.67 0.00 -1.89 0.00 0.00 176.35 176.04 1jh4 h ALA 40 N 8.00 0.28 0.01 5.97 0.00 -1.90 1.09 119.26 132.71 1jh4 h ALA 40 Ca -0.22 0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jh4 h ALA 40 Cb 1.16 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1jh4 h ALA 40 CO 0.22 -0.45 -0.08 0.78 0.00 0.00 0.00 179.25 179.72 1jh4 h GLY 41 N 0.00 -0.10 1.26 0.00 0.00 -1.97 -2.53 103.07 99.73 1jh4 h GLY 41 Ca 0.20 0.10 -0.25 0.00 0.00 0.00 0.00 47.33 47.38 1jh4 h GLY 41 CO -0.43 -0.09 -0.95 0.50 0.00 0.00 0.00 176.54 175.57 1jh4 h LYS 42 N -0.15 0.69 -0.96 4.80 6.56 -1.91 -3.27 116.57 122.33 1jh4 h LYS 42 Ca 0.03 -0.68 0.13 0.00 -1.06 0.00 0.00 60.65 59.08 1jh4 h LYS 42 Cb 0.19 0.18 -0.09 0.00 -0.57 0.00 0.00 32.23 31.94 1jh4 h LYS 42 CO -0.08 1.27 0.58 0.82 -2.06 0.00 0.00 179.45 179.98 1jh4 h ILE 43 N 0.41 0.85 -0.63 1.86 2.04 0.13 -1.67 117.51 120.50 1jh4 h ILE 43 Ca -0.10 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1jh4 h ILE 43 Cb 1.59 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1jh4 h ILE 43 CO 0.19 0.16 0.41 0.74 0.00 0.00 0.00 178.15 179.65 1jh4 h THR 44 N 0.87 1.15 -0.70 -0.27 2.02 -1.50 -1.98 112.91 112.50 1jh4 h THR 44 Ca 0.49 -0.29 0.14 0.00 0.77 0.00 0.00 66.41 67.52 1jh4 h THR 44 Cb 0.57 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1jh4 h THR 44 CO -0.30 0.15 0.47 1.23 0.37 0.00 0.00 175.52 177.45 1jh4 h GLY 45 N 0.84 0.63 0.21 2.16 0.00 -1.38 0.04 103.07 105.57 1jh4 h GLY 45 Ca 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1jh4 h GLY 45 CO -0.06 0.07 -0.06 -0.33 0.00 0.00 0.00 176.54 176.16 1jh4 h MET 46 N 0.39 -0.15 0.00 4.80 2.07 -1.36 -3.23 114.93 117.45 1jh4 h MET 46 Ca 0.34 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.98 1jh4 h MET 46 Cb 0.78 0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.54 1jh4 h MET 46 CO -0.10 0.26 0.08 -0.07 1.07 0.00 0.00 176.91 178.14 1jh4 h LEU 47 N -0.95 0.00 -0.73 1.22 -0.00 -0.99 -2.94 115.31 110.92 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 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 1jh4 h LEU 47 CO 0.03 0.00 0.00 -0.11 -0.00 0.00 0.00 178.44 178.36 1jh4 n LEU 48 N -2.78 0.00 0.00 1.67 7.94 -0.03 -2.90 117.00 120.90 1jh4 n LEU 48 Ca -0.02 -0.00 0.11 0.00 -1.11 0.00 0.00 56.01 54.99 1jh4 n LEU 48 Cb 0.13 -0.00 0.51 0.00 0.53 0.00 0.00 43.42 44.58 1jh4 n LEU 48 CO 0.15 0.00 0.86 1.21 -1.11 0.00 0.00 177.39 178.51 1jh4 n GLU 49 N 0.23 0.07 -3.83 1.96 2.13 -1.11 -4.81 120.64 115.26 1jh4 n GLU 49 Ca 0.00 0.10 -0.22 0.00 0.66 0.00 0.00 57.16 57.70 1jh4 n GLU 49 Cb 0.00 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.16 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 -2.92 2.74 0.34 6.31 1.10 -1.14 -5.11 121.20 122.52 1jh4 s ILE 50 Ca 0.13 -1.50 -0.27 0.00 -0.51 0.00 0.00 60.65 58.50 1jh4 s ILE 50 Cb 0.15 -3.02 -0.09 0.00 0.15 0.00 0.00 42.46 39.65 1jh4 s ILE 50 CO 0.40 -0.05 1.11 -0.62 -2.11 0.00 0.00 174.94 173.67 1jh4 s ASP 51 N -4.01 6.93 0.62 4.50 -1.08 -1.26 -4.90 116.67 117.48 1jh4 s ASP 51 Ca 0.44 2.24 0.26 0.00 -0.52 0.00 0.00 52.55 54.96 1jh4 s ASP 51 Cb -0.02 -2.61 1.31 0.00 -1.46 0.00 0.00 42.92 40.14 1jh4 s ASP 51 CO 0.25 -0.38 1.74 -1.13 0.52 0.00 0.00 175.17 176.17 1jh4 h ASN 52 N 3.16 0.00 0.81 -0.34 -0.73 -1.99 0.50 115.58 116.98 1jh4 h ASN 52 Ca -0.48 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 57.60 1jh4 h ASN 52 Cb 1.22 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 -0.46 0.77 -0.37 0.00 0.00 177.43 178.01 1jh4 h SER 53 N 0.00 0.00 0.04 1.15 4.64 -2.01 -3.04 113.55 114.33 1jh4 h SER 53 Ca 0.15 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.23 1jh4 h SER 53 Cb 1.31 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1jh4 h SER 53 CO -0.00 0.46 -0.94 -0.08 -0.87 0.00 0.00 176.83 175.40 1jh4 h GLU 54 N 0.00 0.66 -0.50 4.77 4.22 -0.36 -3.14 114.58 120.22 1jh4 h GLU 54 Ca -0.00 -0.64 -0.03 0.00 0.08 0.00 0.00 59.36 58.76 1jh4 h GLU 54 Cb 0.99 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1jh4 h GLU 54 CO 0.06 1.25 0.19 -0.07 -2.18 0.00 0.00 179.01 178.25 1jh4 h LEU 55 N 0.40 0.66 -0.93 1.64 4.07 -1.49 -1.73 115.31 117.93 1jh4 h LEU 55 Ca -0.09 -0.08 -0.07 0.00 0.08 0.00 0.00 57.88 57.71 1jh4 h LEU 55 Cb 1.58 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 43.12 1jh4 h LEU 55 CO 0.18 0.61 0.02 -0.07 -1.08 0.00 0.00 178.44 178.10 1jh4 h LEU 56 N 0.72 0.77 -0.06 1.67 4.07 -1.54 0.56 115.31 121.49 1jh4 h LEU 56 Ca 0.17 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1jh4 h LEU 56 Cb 0.17 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.70 1jh4 h LEU 56 CO -0.01 0.82 0.01 0.45 -1.08 0.00 0.00 178.44 178.63 1jh4 h HIS 57 N 0.75 0.10 -0.43 1.13 3.86 -1.31 -2.80 115.15 116.44 1jh4 h HIS 57 Ca 0.15 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 1jh4 h HIS 57 Cb 0.43 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 1jh4 h HIS 57 CO 0.02 0.31 0.03 0.00 0.86 0.00 0.00 177.93 179.16 1jh4 h MET 58 N -0.15 0.74 -0.01 2.45 -0.00 -1.17 -2.30 114.93 114.50 1jh4 h MET 58 Ca 0.02 -0.22 0.00 0.00 -0.00 0.00 0.00 59.70 59.50 1jh4 h MET 58 Cb 0.27 -0.08 -0.00 0.00 -0.00 0.00 0.00 31.60 31.79 1jh4 h MET 58 CO 0.00 0.79 0.04 1.25 -0.00 0.00 0.00 176.91 179.00 1jh4 h LEU 59 N 0.59 0.00 -1.04 -0.10 6.46 -0.88 0.50 115.31 120.84 1jh4 h LEU 59 Ca 0.13 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1jh4 h LEU 59 Cb 0.44 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1jh4 h LEU 59 CO 0.02 0.00 -0.34 -0.62 -0.62 0.00 0.00 178.44 176.87 1jh4 n GLU 60 N -3.23 1.33 -3.49 1.25 -0.58 -0.93 -4.78 120.64 110.22 1jh4 n GLU 60 Ca -0.03 -1.04 -0.22 0.00 -0.42 0.00 0.00 57.16 55.45 1jh4 n GLU 60 Cb 0.12 -1.48 -0.13 0.00 -0.57 0.00 0.00 31.44 29.38 1jh4 n GLU 60 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1jh4 s SER 61 N -2.39 2.28 0.59 1.62 0.15 0.17 -5.01 113.70 111.12 1jh4 s SER 61 Ca 0.22 -0.79 0.29 0.00 0.70 0.00 0.00 55.95 56.36 1jh4 s SER 61 Cb 0.19 0.13 1.53 0.00 -1.71 0.00 0.00 66.02 66.16 1jh4 s SER 61 CO 0.51 -0.39 1.96 -0.65 1.20 0.00 0.00 173.24 175.87 1jh4 h PRO 62 N 8.34 0.00 0.66 5.44 0.11 -1.86 -0.33 132.00 144.35 1jh4 h PRO 62 Ca -0.17 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.91 1jh4 h PRO 62 Cb 1.08 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1jh4 h PRO 62 CO 0.35 0.00 -0.32 0.93 -0.21 0.00 0.00 178.00 178.76 1jh4 h GLU 63 N 0.00 -0.86 -0.13 1.05 5.08 -1.95 0.17 114.58 117.95 1jh4 h GLU 63 Ca 0.17 0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1jh4 h GLU 63 Cb 0.95 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1jh4 h GLU 63 CO -0.00 -0.57 -0.39 1.03 -1.00 0.00 0.00 179.01 178.07 1jh4 h SER 64 N -0.96 0.28 0.67 1.42 0.87 -1.81 -2.92 113.55 111.10 1jh4 h SER 64 Ca -0.09 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.33 1jh4 h SER 64 Cb 0.68 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1jh4 h SER 64 CO 0.15 0.66 -0.47 0.25 -0.53 0.00 0.00 176.83 176.89 1jh4 h LEU 65 N 0.23 -1.21 -2.59 2.23 7.12 -1.01 -1.56 115.31 118.53 1jh4 h LEU 65 Ca 0.02 0.08 0.01 0.00 0.13 0.00 0.00 57.88 58.12 1jh4 h LEU 65 Cb 0.80 0.37 -0.00 0.00 -0.53 0.00 0.00 40.66 41.30 1jh4 h LEU 65 CO 0.06 -0.69 0.06 -0.09 -0.13 0.00 0.00 178.44 177.66 1jh4 h ARG 66 N -1.08 0.00 -0.12 1.25 2.43 -0.64 -2.24 114.38 113.97 1jh4 h ARG 66 Ca -0.08 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1jh4 h ARG 66 Cb 0.89 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1jh4 h ARG 66 CO 0.05 0.00 0.06 0.77 -1.51 0.00 0.00 179.97 179.34 1jh4 h SER 67 N 0.00 0.16 0.07 -3.80 0.02 -1.09 -0.05 113.55 108.86 1jh4 h SER 67 Ca 0.02 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1jh4 h SER 67 Cb 0.14 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1jh4 h SER 67 CO -0.00 0.25 -0.03 0.11 -1.14 0.00 0.00 176.83 176.01 1jh4 h LYS 68 N 0.07 -0.09 -0.25 3.45 1.79 -1.16 -3.16 116.57 117.22 1jh4 h LYS 68 Ca 0.04 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.55 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 -0.00 0.46 0.04 0.28 -1.08 0.00 0.00 179.45 179.15 1jh4 h VAL 69 N -0.91 0.88 -0.40 0.50 2.07 -1.55 -1.92 116.25 114.92 1jh4 h VAL 69 Ca -0.01 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.55 1jh4 h VAL 69 Cb 0.59 0.73 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 1jh4 h VAL 69 CO 0.02 0.02 -0.22 -0.78 0.02 0.00 0.00 177.57 176.63 1jh4 h ASP 70 N 0.14 -0.75 -0.56 0.57 3.58 -1.14 0.10 116.42 118.37 1jh4 h ASP 70 Ca 0.12 0.16 0.11 0.00 0.42 0.00 0.00 57.03 57.84 1jh4 h ASP 70 Cb 0.12 0.39 -0.11 0.00 1.72 0.00 0.00 39.33 41.45 1jh4 h ASP 70 CO -0.16 -0.25 -0.15 -0.33 -2.88 0.00 0.00 179.24 175.47 1jh4 h GLU 71 N -0.15 -0.02 -0.66 0.28 4.39 -1.39 -0.99 114.58 116.04 1jh4 h GLU 71 Ca 0.19 0.00 0.11 0.00 0.34 0.00 0.00 59.36 60.00 1jh4 h GLU 71 Cb 0.45 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.99 1jh4 h GLU 71 CO -0.49 -0.01 -0.37 0.00 -1.16 0.00 0.00 179.01 176.98 1jh4 h ALA 72 N 1.52 -0.09 -0.96 3.43 0.00 -0.05 0.48 119.26 123.60 1jh4 h ALA 72 Ca 0.27 0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.49 1jh4 h ALA 72 Cb 0.42 0.87 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 1jh4 h ALA 72 CO -0.58 -0.71 0.57 0.28 0.00 0.00 0.00 179.25 178.81 1jh4 h VAL 73 N -0.15 0.80 0.38 0.00 2.07 -0.64 0.59 116.25 119.31 1jh4 h VAL 73 Ca 0.24 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1jh4 h VAL 73 Cb 0.56 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1jh4 h VAL 73 CO -0.74 0.15 -0.18 0.00 0.02 0.00 0.00 177.57 176.82 1jh4 h ALA 74 N 1.58 -0.51 0.57 1.67 0.00 -0.08 -2.93 119.26 119.55 1jh4 h ALA 74 Ca 0.51 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1jh4 h ALA 74 Cb 0.66 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1jh4 h ALA 74 CO -0.33 -0.49 -0.27 -0.24 0.00 0.00 0.00 179.25 177.92 1jh4 h VAL 75 N -1.10 0.00 -0.45 0.00 3.04 0.01 -2.97 116.25 114.77 1jh4 h VAL 75 Ca -0.05 -0.10 0.09 0.00 -1.01 0.00 0.00 66.70 65.63 1jh4 h VAL 75 Cb 0.44 0.00 -0.08 0.00 -2.01 0.00 0.00 31.29 29.64 1jh4 h VAL 75 CO 0.09 0.00 -0.09 -0.07 -1.01 0.00 0.00 177.57 176.49 1jh4 h LEU 76 N -0.86 -0.37 -1.70 3.16 3.38 0.01 1.04 115.31 119.96 1jh4 h LEU 76 Ca -0.08 0.13 0.24 0.00 0.09 0.00 0.00 57.88 58.26 1jh4 h LEU 76 Cb 0.58 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 1jh4 h LEU 76 CO 0.13 -0.13 0.63 1.56 0.09 0.00 0.00 178.44 180.71 1jh4 h GLN 77 N 0.02 0.23 0.00 1.13 1.08 -1.53 1.11 115.11 117.16 1jh4 h GLN 77 Ca 0.22 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1jh4 h GLN 77 Cb 0.33 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1jh4 h GLN 77 CO -0.45 0.15 -0.08 0.00 -0.95 0.00 0.00 178.83 177.50 1jh4 h ALA 78 N 1.59 0.00 0.00 3.87 0.00 -0.05 -3.35 119.26 121.31 1jh4 h ALA 78 Ca 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1jh4 h ALA 78 Cb 1.44 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1jh4 h ALA 78 CO -0.12 0.08 0.06 0.45 0.00 0.00 0.00 179.25 179.73 1jh4 h HIS 79 N -0.89 0.00 -0.10 0.00 3.86 0.13 0.17 115.15 118.31 1jh4 h HIS 79 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jh4 h HIS 79 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1jh4 h HIS 79 CO -0.04 0.00 0.00 1.04 0.86 0.00 0.00 177.93 179.79 1jh4 n GLN 80 N -2.86 1.30 -0.50 2.45 1.13 0.38 -3.83 117.38 115.45 1jh4 n GLN 80 Ca -0.02 -0.46 -0.03 0.00 -1.94 0.00 0.00 57.00 54.55 1jh4 n GLN 80 Cb 0.12 -1.20 0.15 0.00 0.11 0.00 0.00 30.24 29.42 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 -0.21 3.53 -2.14 -1.58 0.00 0.60 -4.90 120.51 115.80 1jh4 n ALA 81 Ca 0.09 -1.13 -0.43 0.00 0.00 0.00 0.00 53.44 51.98 1jh4 n ALA 81 Cb 0.14 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.74 3.67 0.47 0.00 1.02 -1.25 -4.99 119.74 116.93 1jh4 s LYS 82 Ca 0.27 1.48 -0.20 0.00 0.02 0.00 0.00 55.97 57.54 1jh4 s LYS 82 Cb 0.21 -4.06 -0.09 0.00 -0.52 0.00 0.00 37.83 33.37 1jh4 s LYS 82 CO 0.07 -1.44 1.00 -1.83 -0.92 0.00 0.00 175.35 172.23 1jh4 s GLU 83 N 4.89 3.94 -1.28 1.68 1.03 -1.26 -4.93 118.70 122.77 1jh4 s GLU 83 Ca 0.71 1.24 -0.09 0.00 0.03 0.00 0.00 54.97 56.86 1jh4 s GLU 83 Cb -0.22 -2.12 -0.13 0.00 -0.80 0.00 0.00 34.13 30.86 1jh4 s GLU 83 CO 0.30 -0.29 3.11 0.00 -1.33 0.00 0.00 175.26 177.04 1jh4 n ALA 84 N -0.94 7.33 -1.81 -0.84 0.00 -1.26 -4.94 120.51 118.05 1jh4 n ALA 84 Ca 0.08 -3.17 -0.41 0.00 0.00 0.00 0.00 53.44 49.94 1jh4 n ALA 84 Cb 0.53 -3.15 -0.03 0.00 0.00 0.00 0.00 19.45 16.80 1jh4 n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jh4 s ALA 85 N 1.90 3.48 -0.56 0.00 0.00 -1.26 -4.94 121.76 120.38 1jh4 s ALA 85 Ca 0.69 1.13 -0.28 0.00 0.00 0.00 0.00 51.96 53.50 1jh4 s ALA 85 Cb 0.21 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.91 1jh4 s ALA 85 CO -0.05 -0.48 1.42 -0.65 0.00 0.00 0.00 175.76 176.00 1jh4 s GLN 86 N -1.37 3.30 0.54 0.00 1.11 -1.26 -5.00 119.66 116.98 1jh4 s GLN 86 Ca 0.49 0.46 -0.08 0.00 0.01 0.00 0.00 55.36 56.23 1jh4 s GLN 86 Cb -0.37 -4.13 -0.04 0.00 -1.01 0.00 0.00 33.01 27.46 1jh4 s GLN 86 CO 0.47 -1.94 0.90 0.21 0.01 0.00 0.00 175.29 174.93 1jh4 s LYS 87 N 5.51 3.60 0.85 2.91 2.47 -1.26 -5.06 119.74 128.77 1jh4 s LYS 87 Ca 0.52 0.48 -0.11 0.00 -1.56 0.00 0.00 55.97 55.30 1jh4 s LYS 87 Cb -0.11 -2.24 0.10 0.00 -1.46 0.00 0.00 37.83 34.13 1jh4 s LYS 87 CO 0.25 -0.35 1.10 0.00 0.16 0.00 0.00 175.35 176.50 1jh4 s ALA 88 N -2.90 1.78 -0.13 3.13 0.00 -1.26 -4.98 121.76 117.39 1jh4 s ALA 88 Ca 0.51 0.18 0.17 0.00 0.00 0.00 0.00 51.96 52.82 1jh4 s ALA 88 Cb -0.11 -3.27 -0.24 0.00 0.00 0.00 0.00 23.12 19.50 1jh4 s ALA 88 CO 0.48 -2.21 0.17 0.28 0.00 0.00 0.00 175.76 174.48 1jh4 n VAL 89 N -3.81 0.83 -3.22 0.00 0.31 -1.26 -4.97 118.33 106.20 1jh4 n VAL 89 Ca 0.08 -0.65 -0.32 0.00 -0.01 0.00 0.00 64.34 63.45 1jh4 n VAL 89 Cb 0.54 -0.35 -0.05 0.00 -0.91 0.00 0.00 33.84 33.06 1jh4 n VAL 89 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1jh4 s ASN 90 N -4.85 6.68 -0.19 4.52 3.84 -1.26 -4.97 114.94 118.71 1jh4 s ASN 90 Ca -0.08 1.10 -0.02 0.00 0.21 0.00 0.00 52.86 54.07 1jh4 s ASN 90 Cb 0.07 -2.30 0.03 0.00 -0.55 0.00 0.00 41.25 38.50 1jh4 s ASN 90 CO 0.74 -0.18 2.49 -1.20 -2.79 0.00 0.00 177.10 176.16 1jh4 n SER 91 N -0.40 5.91 -4.75 -4.21 7.64 -1.26 -4.90 113.62 111.64 1jh4 n SER 91 Ca 0.02 -2.79 -0.38 0.00 1.01 0.00 0.00 58.87 56.73 1jh4 n SER 91 Cb 0.53 -1.19 -0.06 0.00 -1.01 0.00 0.00 64.21 62.48 1jh4 n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jh4 s ALA 92 N -0.72 3.54 -0.13 -0.43 0.00 -1.26 -5.07 121.76 117.70 1jh4 s ALA 92 Ca 0.35 -0.22 -0.13 0.00 0.00 0.00 0.00 51.96 51.97 1jh4 s ALA 92 Cb 0.22 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.74 1jh4 s ALA 92 CO -0.04 0.14 0.27 0.95 0.00 0.00 0.00 175.76 177.08 1jh4 s THR 93 N 0.15 5.30 0.32 0.00 -4.23 -1.26 -5.09 115.64 110.83 1jh4 s THR 93 Ca 0.24 0.51 0.01 0.00 -1.18 0.00 0.00 61.69 61.27 1jh4 s THR 93 Cb -0.15 -3.59 -0.03 0.00 1.34 0.00 0.00 72.50 70.06 1jh4 s THR 93 CO 0.10 0.46 0.51 -0.83 -0.54 0.00 0.00 174.62 174.32 1jh4 s GLY 94 N -0.03 1.36 -0.19 3.99 0.00 -1.26 -5.09 107.32 106.10 1jh4 s GLY 94 Ca 0.17 -0.94 -0.14 0.00 0.00 0.00 0.00 44.72 43.80 1jh4 s GLY 94 CO 0.05 -0.89 0.31 -1.34 0.00 0.00 0.00 173.10 171.23 1jh4 s VAL 95 N -2.23 5.27 -2.00 1.40 -7.23 -1.26 -4.96 120.40 109.40 1jh4 s VAL 95 Ca 0.39 0.55 0.11 0.00 -1.81 0.00 0.00 61.98 61.21 1jh4 s VAL 95 Cb -0.10 -3.65 0.31 0.00 0.56 0.00 0.00 36.38 33.50 1jh4 s VAL 95 CO 0.34 0.32 1.12 -0.81 -0.31 0.00 0.00 175.10 175.76 1jh4 n PRO 96 N 4.09 0.58 0.00 4.82 -0.04 -1.26 -3.94 135.00 139.25 1jh4 n PRO 96 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1jh4 n PRO 96 Cb 0.52 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1jh4 n PRO 96 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jh4 n THR 97 N -0.79 0.00 -0.43 0.52 -2.24 -1.26 -5.39 114.28 104.69 1jh4 n THR 97 Ca 0.08 0.36 0.00 0.00 -2.27 0.00 0.00 64.05 62.23 1jh4 n THR 97 Cb 0.04 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 1jh4 n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02