#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh4 h PRO 2 N 0.00 0.59 -5.06 1.61 0.13 -2.10 -3.42 132.00 123.75 1jh4 h PRO 2 Ca 0.00 -0.32 -0.62 0.00 -0.87 0.00 0.00 66.00 64.19 1jh4 h PRO 2 Cb 0.00 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 31.00 1jh4 h PRO 2 CO 0.00 0.91 -0.50 -0.51 -0.23 0.00 0.00 178.00 177.68 1jh4 s LEU 3 N -8.50 4.10 -1.01 1.56 2.01 -1.26 -5.01 118.68 110.58 1jh4 s LEU 3 Ca -0.08 0.10 -0.01 0.00 0.01 0.00 0.00 54.13 54.15 1jh4 s LEU 3 Cb 0.12 -2.12 0.32 0.00 0.01 0.00 0.00 46.19 44.52 1jh4 s LEU 3 CO 0.83 0.04 1.82 0.61 1.01 0.00 0.00 176.35 180.66 1jh4 n GLY 4 N 4.44 6.10 3.87 -3.19 0.00 -1.26 -4.99 105.19 110.15 1jh4 n GLY 4 Ca -0.15 -2.58 -0.36 0.00 0.00 0.00 0.00 46.02 42.93 1jh4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jh4 s SER 5 N -1.38 6.31 1.11 1.61 1.04 -1.26 -5.09 113.70 116.05 1jh4 s SER 5 Ca 0.40 0.43 -0.19 0.00 0.48 0.00 0.00 55.95 57.07 1jh4 s SER 5 Cb 0.21 -2.02 0.11 0.00 0.10 0.00 0.00 66.02 64.42 1jh4 s SER 5 CO -0.15 0.38 -0.03 -2.65 0.98 0.00 0.00 173.24 171.77 1jh4 n PRO 6 N 1.81 -1.70 -3.52 4.02 -0.02 -1.26 -4.96 135.00 129.38 1jh4 n PRO 6 Ca -0.18 -0.48 -0.37 0.00 -2.02 0.00 0.00 63.50 60.45 1jh4 n PRO 6 Cb 0.54 -1.64 -0.07 0.00 -0.02 0.00 0.00 33.50 32.31 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 -0.83 4.20 -0.02 2.45 2.01 -1.26 -4.98 118.68 120.26 1jh4 s LEU 7 Ca 0.53 0.46 -0.01 0.00 0.01 0.00 0.00 54.13 55.12 1jh4 s LEU 7 Cb -0.10 -2.37 -0.27 0.00 0.01 0.00 0.00 46.19 43.46 1jh4 s LEU 7 CO 0.62 0.05 0.76 0.71 1.01 0.00 0.00 176.35 179.51 1jh4 h THR 8 N 4.81 1.04 0.22 5.49 1.35 -1.98 -2.95 112.91 120.88 1jh4 h THR 8 Ca -0.39 -2.73 -0.01 0.00 -0.55 0.00 0.00 66.41 62.73 1jh4 h THR 8 Cb 1.16 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 1jh4 h THR 8 CO 0.74 0.78 -0.11 0.00 -0.25 0.00 0.00 175.52 176.68 1jh4 h ALA 9 N 0.52 -1.06 -0.17 6.62 0.00 -2.01 -2.55 119.26 120.62 1jh4 h ALA 9 Ca -0.27 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1jh4 h ALA 9 Cb 2.01 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.94 1jh4 h ALA 9 CO 0.14 -1.04 0.21 0.77 0.00 0.00 0.00 179.25 179.33 1jh4 h SER 10 N -0.30 0.00 -0.37 0.00 0.02 -1.96 -1.04 113.55 109.89 1jh4 h SER 10 Ca -0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1jh4 h SER 10 Cb 0.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1jh4 h SER 10 CO 0.04 0.00 0.16 0.24 -1.14 0.00 0.00 176.83 176.14 1jh4 h MET 11 N 0.00 0.55 0.65 3.45 2.86 -1.31 0.34 114.93 121.47 1jh4 h MET 11 Ca 0.08 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1jh4 h MET 11 Cb 0.50 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.07 1jh4 h MET 11 CO -0.00 0.51 -0.31 1.25 1.06 0.00 0.00 176.91 179.42 1jh4 h LEU 12 N 0.46 -0.74 -0.20 1.22 7.12 -0.79 -2.79 115.31 119.58 1jh4 h LEU 12 Ca 0.13 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.12 1jh4 h LEU 12 Cb 0.16 0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.48 1jh4 h LEU 12 CO -0.01 -0.38 0.00 0.00 -0.13 0.00 0.00 178.44 177.92 1jh4 n ALA 13 N -2.64 1.99 0.00 1.25 0.00 -1.01 -2.76 120.51 117.34 1jh4 n ALA 13 Ca -0.12 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 1jh4 n ALA 13 Cb 0.36 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.68 1jh4 n ALA 13 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1jh4 h SER 14 N 0.09 0.38 -2.14 0.00 0.02 -0.63 -3.41 113.55 107.86 1jh4 h SER 14 Ca 0.00 -0.86 -0.55 0.00 -0.84 0.00 0.00 61.79 59.54 1jh4 h SER 14 Cb 0.05 -0.12 -0.41 0.00 0.14 0.00 0.00 62.40 62.06 1jh4 h SER 14 CO 0.00 1.73 -0.89 0.00 -1.14 0.00 0.00 176.83 176.53 1jh4 n ALA 15 N -3.03 3.40 -0.34 3.77 0.00 -1.11 -4.97 120.51 118.23 1jh4 n ALA 15 Ca -0.29 -4.10 0.10 0.00 0.00 0.00 0.00 53.44 49.15 1jh4 n ALA 15 Cb 0.96 -0.83 0.21 0.00 0.00 0.00 0.00 19.45 19.79 1jh4 n ALA 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jh4 h PRO 16 N 3.25 0.01 0.00 0.00 0.10 -1.81 -1.62 132.00 131.92 1jh4 h PRO 16 Ca 0.12 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.22 1jh4 h PRO 16 Cb 0.73 -0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.83 1jh4 h PRO 16 CO 0.67 0.01 0.00 -2.30 0.10 0.00 0.00 178.00 176.47 1jh4 n PRO 17 N -5.54 2.24 0.29 1.05 -0.02 -1.26 -4.12 135.00 127.64 1jh4 n PRO 17 Ca 0.19 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1jh4 n PRO 17 Cb 0.62 0.00 0.67 0.00 -0.02 0.00 0.00 33.50 34.77 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 -1.29 -0.52 3.07 -2.05 -0.26 115.11 114.06 1jh4 h GLN 18 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.48 1jh4 h GLN 18 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 27.48 27.43 1jh4 h GLN 18 CO 0.00 0.00 0.34 0.39 0.09 0.00 0.00 178.83 179.65 1jh4 n GLU 19 N -2.64 1.64 0.00 0.06 1.02 -1.24 -4.49 120.64 114.99 1jh4 n GLU 19 Ca -0.02 -1.38 0.00 0.00 -0.02 0.00 0.00 57.16 55.75 1jh4 n GLU 19 Cb 0.38 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 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 0.12 0.00 0.00 3.49 10.64 -0.11 -4.01 117.38 127.51 1jh4 n GLN 20 Ca 0.27 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.44 1jh4 n GLN 20 Cb 0.79 -0.48 0.00 0.00 -0.86 0.00 0.00 30.24 29.68 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 -0.23 0.97 0.07 2.61 4.76 -1.26 -4.29 118.16 120.79 1jh4 n LYS 21 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 1jh4 n LYS 21 Cb 0.00 -1.37 -0.01 0.00 -1.84 0.00 0.00 35.03 31.81 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 0.02 -0.19 0.00 1.97 -0.00 -1.76 -3.21 115.11 111.95 1jh4 h GLN 22 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1jh4 h GLN 22 Cb 0.37 0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.89 1jh4 h GLN 22 CO 0.00 -0.12 0.00 -1.33 0.00 0.00 0.00 178.83 177.38 1jh4 n MET 23 N -2.58 0.00 -0.09 1.69 2.81 -1.26 -3.31 117.12 114.38 1jh4 n MET 23 Ca -0.02 0.02 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 1jh4 n MET 23 Cb 0.08 -0.58 -0.01 0.00 -0.71 0.00 0.00 33.22 32.00 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 -0.10 0.52 0.00 4.03 -0.00 -1.26 -4.89 117.00 115.30 1jh4 n LEU 24 Ca 0.00 -0.90 0.00 0.00 -0.00 0.00 0.00 56.01 55.11 1jh4 n LEU 24 Cb 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 1jh4 n LEU 24 CO 0.00 -0.54 0.00 0.61 -0.00 0.00 0.00 177.39 177.46 1jh4 n GLY 25 N 3.29 0.57 0.00 1.47 0.00 -1.21 -4.16 105.19 105.15 1jh4 n GLY 25 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1jh4 n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jh4 n GLU 26 N 4.01 0.00 -0.20 1.61 1.02 -1.26 -4.35 120.64 121.47 1jh4 n GLU 26 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1jh4 n GLU 26 Cb 0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 1jh4 n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jh4 n ARG 27 N -0.24 0.12 -0.00 3.49 5.12 -1.26 -4.88 116.66 119.01 1jh4 n ARG 27 Ca 0.00 -0.78 -0.17 0.00 -1.93 0.00 0.00 57.85 54.97 1jh4 n ARG 27 Cb 0.00 -0.54 -0.12 0.00 -1.16 0.00 0.00 32.46 30.64 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 0.41 -0.67 0.55 3.38 -1.88 -3.24 115.31 113.86 1jh4 h LEU 28 Ca 0.00 -0.81 0.13 0.00 0.09 0.00 0.00 57.88 57.30 1jh4 h LEU 28 Cb 1.15 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.67 1jh4 h LEU 28 CO 0.00 1.17 0.15 0.15 0.09 0.00 0.00 178.44 180.00 1jh4 h PHE 29 N -0.30 0.24 -0.39 1.13 3.57 -1.79 0.91 116.94 120.31 1jh4 h PHE 29 Ca -0.07 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1jh4 h PHE 29 Cb 1.27 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 1jh4 h PHE 29 CO 0.17 -0.05 0.23 -1.35 -2.23 0.00 0.00 178.31 175.08 1jh4 h PRO 30 N 0.27 0.53 -0.12 6.41 0.11 -1.86 1.12 132.00 138.46 1jh4 h PRO 30 Ca 0.36 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.38 1jh4 h PRO 30 Cb 0.58 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 1jh4 h PRO 30 CO -0.45 0.40 -0.09 -0.07 -0.21 0.00 0.00 178.00 177.57 1jh4 h LEU 31 N 0.51 0.29 -0.41 2.35 3.38 -1.28 -2.93 115.31 117.22 1jh4 h LEU 31 Ca 0.14 -0.45 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 1jh4 h LEU 31 Cb 0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1jh4 h LEU 31 CO -0.03 0.68 -0.04 -0.29 0.09 0.00 0.00 178.44 178.85 1jh4 h ILE 32 N -0.10 1.27 -0.92 1.22 -0.00 0.87 -2.52 117.51 117.33 1jh4 h ILE 32 Ca 0.02 -1.10 0.27 0.00 -0.00 0.00 0.00 64.86 64.05 1jh4 h ILE 32 Cb 0.58 1.16 -0.16 0.00 -0.00 0.00 0.00 36.82 38.40 1jh4 h ILE 32 CO 0.02 0.37 0.20 1.56 -0.00 0.00 0.00 178.15 180.30 1jh4 h GLN 33 N 0.57 0.11 -0.40 2.19 1.08 0.13 2.00 115.11 120.80 1jh4 h GLN 33 Ca 0.11 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.32 1jh4 h GLN 33 Cb 0.54 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 1jh4 h GLN 33 CO 0.03 0.08 0.27 0.00 -0.95 0.00 0.00 178.83 178.25 1jh4 h ALA 34 N 1.87 1.80 0.00 3.87 0.00 -1.25 -3.29 119.26 122.26 1jh4 h ALA 34 Ca 0.60 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 55.17 1jh4 h ALA 34 Cb 1.27 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1jh4 h ALA 34 CO -0.75 0.16 -2.00 -1.33 0.00 0.00 0.00 179.25 175.33 1jh4 n MET 35 N -4.48 0.57 -3.50 0.00 2.81 0.36 -5.04 117.12 107.84 1jh4 n MET 35 Ca 0.04 0.28 -0.19 0.00 -1.81 0.00 0.00 57.70 56.01 1jh4 n MET 35 Cb 0.12 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.21 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 -2.30 0.00 2.03 8.25 0.59 -4.97 115.22 114.49 1jh4 n HIS 36 Ca -0.41 0.95 0.00 0.00 -0.26 0.00 0.00 57.72 57.99 1jh4 n HIS 36 Cb 0.76 -4.99 0.00 0.00 1.12 0.00 0.00 29.99 26.87 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 -4.32 0.00 -0.09 -0.41 -0.04 -1.26 -4.70 135.00 124.17 1jh4 n PRO 37 Ca -0.23 0.23 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1jh4 n PRO 37 Cb 0.65 -1.16 -0.03 0.00 -0.04 0.00 0.00 33.50 32.91 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 -1.18 1.48 -3.20 0.52 -2.24 -1.26 -5.02 114.28 103.37 1jh4 n THR 38 Ca 0.00 0.12 0.04 0.00 -2.27 0.00 0.00 64.05 61.94 1jh4 n THR 38 Cb 0.00 -2.31 -0.02 0.00 -2.10 0.00 0.00 70.33 65.90 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 -7.98 -0.85 0.19 3.22 1.02 -1.26 -5.04 118.68 107.98 1jh4 s LEU 39 Ca -0.25 0.62 -0.15 0.00 0.02 0.00 0.00 54.13 54.37 1jh4 s LEU 39 Cb 0.04 1.75 0.19 0.00 0.02 0.00 0.00 46.19 48.19 1jh4 s LEU 39 CO 0.37 -0.16 1.64 0.00 0.02 0.00 0.00 176.35 178.22 1jh4 h ALA 40 N 7.95 0.35 -0.71 4.21 0.00 -1.91 0.84 119.26 129.99 1jh4 h ALA 40 Ca -0.18 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jh4 h ALA 40 Cb 1.16 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1jh4 h ALA 40 CO 0.07 -0.44 0.38 0.78 0.00 0.00 0.00 179.25 180.03 1jh4 h GLY 41 N -0.01 1.07 1.04 0.00 0.00 -1.96 -2.64 103.07 100.57 1jh4 h GLY 41 Ca 0.26 -0.50 -0.28 0.00 0.00 0.00 0.00 47.33 46.82 1jh4 h GLY 41 CO -0.57 0.48 -1.22 0.50 0.00 0.00 0.00 176.54 175.73 1jh4 h LYS 42 N 0.98 0.46 -0.52 4.80 1.57 -1.75 -3.29 116.57 118.83 1jh4 h LYS 42 Ca 0.25 -0.77 0.09 0.00 -1.87 0.00 0.00 60.65 58.35 1jh4 h LYS 42 Cb 0.06 0.29 -0.08 0.00 0.08 0.00 0.00 32.23 32.58 1jh4 h LYS 42 CO -0.04 1.37 0.07 0.97 -0.57 0.00 0.00 179.45 181.25 1jh4 h ILE 43 N -0.04 0.67 -0.42 1.86 6.09 0.66 -1.90 117.51 124.42 1jh4 h ILE 43 Ca -0.21 -0.07 0.09 0.00 -1.37 0.00 0.00 64.86 63.30 1jh4 h ILE 43 Cb 1.96 0.45 -0.09 0.00 0.47 0.00 0.00 36.82 39.61 1jh4 h ILE 43 CO 0.23 0.04 -0.16 0.74 -3.07 0.00 0.00 178.15 175.93 1jh4 h THR 44 N 0.20 0.48 -0.14 2.19 2.02 -1.57 0.50 112.91 116.58 1jh4 h THR 44 Ca 0.26 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.48 1jh4 h THR 44 Cb 0.38 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1jh4 h THR 44 CO -0.37 0.00 0.35 1.23 0.37 0.00 0.00 175.52 177.10 1jh4 h GLY 45 N -0.07 0.00 0.04 2.16 0.00 -1.41 -0.79 103.07 103.00 1jh4 h GLY 45 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 1jh4 h GLY 45 CO -0.47 0.00 -0.02 1.98 0.00 0.00 0.00 176.54 178.03 1jh4 h MET 46 N 0.00 -0.05 -0.08 4.80 -1.53 0.13 -3.33 114.93 114.87 1jh4 h MET 46 Ca 0.07 0.00 0.02 0.00 -3.44 0.00 0.00 59.70 56.35 1jh4 h MET 46 Cb 0.76 0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 31.82 1jh4 h MET 46 CO -0.00 -0.03 0.12 -0.07 0.14 0.00 0.00 176.91 177.06 1jh4 h LEU 47 N -0.19 0.00 -0.11 3.39 3.38 -1.17 -2.88 115.31 117.72 1jh4 h LEU 47 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jh4 h LEU 47 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1jh4 h LEU 47 CO 0.01 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.72 1jh4 n LEU 48 N -3.58 0.00 0.00 1.67 4.32 -0.33 -2.44 117.00 116.65 1jh4 n LEU 48 Ca -0.01 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 56.08 1jh4 n LEU 48 Cb 0.21 0.00 0.48 0.00 -1.62 0.00 0.00 43.42 42.49 1jh4 n LEU 48 CO 0.25 0.00 0.83 -1.84 -1.22 0.00 0.00 177.39 175.40 1jh4 n GLU 49 N -0.25 0.13 -3.64 3.23 -0.00 -1.09 -4.79 120.64 114.24 1jh4 n GLU 49 Ca 0.00 0.12 -0.25 0.00 -0.00 0.00 0.00 57.16 57.04 1jh4 n GLU 49 Cb 0.00 -1.50 0.02 0.00 -0.00 0.00 0.00 31.44 29.96 1jh4 n GLU 49 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.13 178.64 1jh4 n ILE 50 N -1.40 0.00 -2.48 3.84 3.06 -1.02 -5.11 119.36 116.24 1jh4 n ILE 50 Ca 0.07 -2.13 -0.37 0.00 -2.50 0.00 0.00 62.75 57.83 1jh4 n ILE 50 Cb 0.21 -0.13 -0.03 0.00 0.54 0.00 0.00 39.64 40.22 1jh4 n ILE 50 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1jh4 s ASP 51 N -4.31 6.64 0.63 9.51 -1.08 -1.26 -4.90 116.67 121.89 1jh4 s ASP 51 Ca 0.38 2.10 0.28 0.00 -0.52 0.00 0.00 52.55 54.79 1jh4 s ASP 51 Cb -0.03 -2.59 1.51 0.00 -1.46 0.00 0.00 42.92 40.35 1jh4 s ASP 51 CO 0.24 -0.58 1.88 -1.13 0.52 0.00 0.00 175.17 176.11 1jh4 h ASN 52 N 2.42 0.00 0.96 -0.34 -0.73 -1.99 0.31 115.58 116.21 1jh4 h ASN 52 Ca -0.48 0.00 -0.08 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 39.80 1jh4 h ASN 52 CO 0.62 0.00 -0.38 -1.28 -0.37 0.00 0.00 177.43 176.02 1jh4 h SER 53 N 0.00 0.00 0.02 1.15 0.87 -2.00 -3.02 113.55 110.57 1jh4 h SER 53 Ca 0.10 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.48 1jh4 h SER 53 Cb 0.95 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.93 1jh4 h SER 53 CO -0.00 0.38 -0.73 -0.33 -0.53 0.00 0.00 176.83 175.62 1jh4 h GLU 54 N 0.00 0.47 -0.96 2.24 4.39 -0.73 -2.90 114.58 117.09 1jh4 h GLU 54 Ca -0.00 -0.52 0.02 0.00 0.34 0.00 0.00 59.36 59.19 1jh4 h GLU 54 Cb 0.97 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.72 1jh4 h GLU 54 CO 0.05 1.17 0.63 -0.07 -1.16 0.00 0.00 179.01 179.63 1jh4 h LEU 55 N -0.01 1.09 -1.13 1.33 4.07 -1.55 -1.04 115.31 118.07 1jh4 h LEU 55 Ca -0.10 -0.02 -0.09 0.00 0.08 0.00 0.00 57.88 57.75 1jh4 h LEU 55 Cb 1.44 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 1jh4 h LEU 55 CO 0.14 0.78 -0.36 -0.07 -1.08 0.00 0.00 178.44 177.85 1jh4 h LEU 56 N 1.28 0.15 -0.71 1.67 3.38 -1.59 -2.67 115.31 116.81 1jh4 h LEU 56 Ca 0.36 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 1jh4 h LEU 56 Cb -0.11 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1jh4 h LEU 56 CO -0.09 0.50 -0.02 -0.74 0.09 0.00 0.00 178.44 178.18 1jh4 h HIS 57 N 0.13 1.05 -0.31 1.13 2.76 -1.00 -2.93 115.15 115.99 1jh4 h HIS 57 Ca 0.01 -0.18 -0.01 0.00 -2.20 0.00 0.00 60.37 58.00 1jh4 h HIS 57 Cb 0.69 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 1jh4 h HIS 57 CO 0.01 0.95 0.17 0.52 -1.30 0.00 0.00 177.93 178.27 1jh4 h MET 58 N 0.88 0.43 0.00 5.26 2.86 -1.03 -0.04 114.93 123.29 1jh4 h MET 58 Ca 0.16 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1jh4 h MET 58 Cb 0.55 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1jh4 h MET 58 CO 0.03 0.37 -0.00 1.25 1.06 0.00 0.00 176.91 179.62 1jh4 h LEU 59 N 0.38 0.00 0.00 1.22 6.46 -1.38 -0.38 115.31 121.61 1jh4 h LEU 59 Ca 0.11 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1jh4 h LEU 59 Cb 0.06 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.99 1jh4 h LEU 59 CO -0.02 0.00 -0.96 -1.84 -0.62 0.00 0.00 178.44 175.00 1jh4 n GLU 60 N -4.03 0.16 -3.70 1.25 0.28 -0.91 -4.71 120.64 108.99 1jh4 n GLU 60 Ca -0.03 -0.01 -0.30 0.00 -0.16 0.00 0.00 57.16 56.66 1jh4 n GLU 60 Cb 0.08 -1.54 -0.14 0.00 1.43 0.00 0.00 31.44 31.27 1jh4 n GLU 60 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1jh4 s SER 61 N -3.50 3.76 0.27 -1.84 0.01 -0.08 -5.00 113.70 107.33 1jh4 s SER 61 Ca 0.06 -2.19 0.00 0.00 1.31 0.00 0.00 55.95 55.13 1jh4 s SER 61 Cb 0.15 -0.92 0.58 0.00 0.21 0.00 0.00 66.02 66.05 1jh4 s SER 61 CO 0.81 -0.33 1.75 -0.65 0.41 0.00 0.00 173.24 175.22 1jh4 h PRO 62 N 7.30 0.56 -0.28 12.44 0.11 -1.84 0.59 132.00 150.89 1jh4 h PRO 62 Ca -0.05 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.09 1jh4 h PRO 62 Cb 0.97 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 31.89 1jh4 h PRO 62 CO 0.46 0.37 -0.15 1.05 -0.21 0.00 0.00 178.00 179.52 1jh4 h GLU 63 N 0.58 -0.11 0.00 1.05 4.11 -1.94 0.11 114.58 118.38 1jh4 h GLU 63 Ca 0.49 0.01 -0.18 0.00 0.07 0.00 0.00 59.36 59.74 1jh4 h GLU 63 Cb 0.75 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1jh4 h GLU 63 CO -0.40 -0.07 -0.87 1.03 0.07 0.00 0.00 179.01 178.76 1jh4 h SER 64 N -0.12 0.03 0.28 3.06 0.87 -1.71 -3.11 113.55 112.85 1jh4 h SER 64 Ca 0.15 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1jh4 h SER 64 Cb 0.34 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1jh4 h SER 64 CO -0.35 0.89 -0.21 0.25 -0.53 0.00 0.00 176.83 176.88 1jh4 h LEU 65 N 0.01 -0.54 -1.53 2.23 7.12 0.12 -2.45 115.31 120.27 1jh4 h LEU 65 Ca -0.01 0.04 0.09 0.00 0.13 0.00 0.00 57.88 58.12 1jh4 h LEU 65 Cb 1.54 0.17 -0.04 0.00 -0.53 0.00 0.00 40.66 41.79 1jh4 h LEU 65 CO 0.12 -0.30 0.44 -0.09 -0.13 0.00 0.00 178.44 178.48 1jh4 h ARG 66 N -0.46 0.53 -0.51 1.25 2.43 -0.95 -1.83 114.38 114.83 1jh4 h ARG 66 Ca -0.04 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.20 1jh4 h ARG 66 Cb 0.38 -0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 29.72 1jh4 h ARG 66 CO 0.01 0.35 -0.05 0.77 -1.51 0.00 0.00 179.97 179.54 1jh4 h SER 67 N 0.54 -0.33 0.01 -3.80 0.02 -1.41 0.59 113.55 109.18 1jh4 h SER 67 Ca 0.30 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1jh4 h SER 67 Cb 0.46 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1jh4 h SER 67 CO -0.09 -0.12 -0.01 0.11 -1.14 0.00 0.00 176.83 175.58 1jh4 h LYS 68 N 0.06 -0.02 -0.00 3.45 1.79 -0.90 -3.17 116.57 117.78 1jh4 h LYS 68 Ca 0.26 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.74 1jh4 h LYS 68 Cb 0.39 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1jh4 h LYS 68 CO -0.47 0.78 -0.07 0.28 -1.08 0.00 0.00 179.45 178.89 1jh4 h VAL 69 N -0.91 0.82 -0.38 0.50 2.07 -1.25 -1.51 116.25 115.57 1jh4 h VAL 69 Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1jh4 h VAL 69 Cb 0.80 0.82 -0.09 0.00 -1.52 0.00 0.00 31.29 31.30 1jh4 h VAL 69 CO 0.00 0.00 -0.42 0.44 0.02 0.00 0.00 177.57 177.61 1jh4 h ASP 70 N -0.12 -1.39 -0.66 0.57 3.32 0.05 0.15 116.42 118.35 1jh4 h ASP 70 Ca 0.03 0.21 0.14 0.00 0.02 0.00 0.00 57.03 57.43 1jh4 h ASP 70 Cb 0.16 0.61 -0.11 0.00 0.22 0.00 0.00 39.33 40.20 1jh4 h ASP 70 CO -0.08 -0.37 -0.01 -0.33 -1.72 0.00 0.00 179.24 176.74 1jh4 h GLU 71 N -0.33 0.11 -0.80 3.56 4.39 -1.46 0.36 114.58 120.39 1jh4 h GLU 71 Ca 0.14 -0.01 0.18 0.00 0.34 0.00 0.00 59.36 60.01 1jh4 h GLU 71 Cb 0.58 -0.02 -0.15 0.00 -0.10 0.00 0.00 28.75 29.06 1jh4 h GLU 71 CO -0.56 0.07 -0.05 0.00 -1.16 0.00 0.00 179.01 177.31 1jh4 h ALA 72 N 1.61 0.77 -0.57 3.43 0.00 0.35 0.40 119.26 125.24 1jh4 h ALA 72 Ca 0.35 0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.61 1jh4 h ALA 72 Cb 0.57 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1jh4 h ALA 72 CO -0.57 -0.44 0.25 0.28 0.00 0.00 0.00 179.25 178.77 1jh4 h VAL 73 N 0.06 0.85 0.07 0.00 2.07 -0.39 0.35 116.25 119.26 1jh4 h VAL 73 Ca 0.43 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.79 1jh4 h VAL 73 Cb 0.76 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1jh4 h VAL 73 CO -0.75 0.08 -0.03 0.00 0.02 0.00 0.00 177.57 176.89 1jh4 h ALA 74 N 1.36 -0.09 0.46 1.67 0.00 -0.45 -2.87 119.26 119.34 1jh4 h ALA 74 Ca 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1jh4 h ALA 74 Cb 0.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jh4 h ALA 74 CO -0.24 -0.22 -0.22 -0.24 0.00 0.00 0.00 179.25 178.33 1jh4 h VAL 75 N -0.74 0.00 -0.99 0.00 3.04 -0.24 -2.17 116.25 115.15 1jh4 h VAL 75 Ca -0.01 -0.11 0.22 0.00 -1.01 0.00 0.00 66.70 65.79 1jh4 h VAL 75 Cb 0.60 0.00 -0.12 0.00 -2.01 0.00 0.00 31.29 29.76 1jh4 h VAL 75 CO 0.01 0.00 0.58 0.25 -1.01 0.00 0.00 177.57 177.41 1jh4 h LEU 76 N -0.72 0.69 -1.10 3.16 5.85 -0.48 1.44 115.31 124.14 1jh4 h LEU 76 Ca -0.06 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1jh4 h LEU 76 Cb 0.47 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1jh4 h LEU 76 CO 0.10 0.16 0.61 -0.61 -0.34 0.00 0.00 178.44 178.37 1jh4 h GLN 77 N 0.64 1.19 0.00 1.25 4.15 -1.49 0.28 115.11 121.13 1jh4 h GLN 77 Ca 0.61 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.94 1jh4 h GLN 77 Cb 1.07 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 28.49 1jh4 h GLN 77 CO -0.44 0.78 -0.15 0.00 -1.93 0.00 0.00 178.83 177.10 1jh4 h ALA 78 N 1.44 0.02 0.00 3.38 0.00 0.98 -3.32 119.26 121.75 1jh4 h ALA 78 Ca 0.34 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jh4 h ALA 78 Cb -0.10 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jh4 h ALA 78 CO -0.08 0.10 0.00 0.72 0.00 0.00 0.00 179.25 179.99 1jh4 n HIS 79 N -4.67 0.00 0.12 0.00 8.25 0.43 -3.32 115.22 116.02 1jh4 n HIS 79 Ca -0.07 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.34 1jh4 n HIS 79 Cb 0.26 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 1jh4 n HIS 79 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1jh4 h GLN 80 N 0.00 -0.31 -4.49 -0.41 -0.00 -0.53 -3.43 115.11 105.95 1jh4 h GLN 80 Ca 0.00 0.02 -0.64 0.00 -0.00 0.00 0.00 58.65 58.03 1jh4 h GLN 80 Cb 0.05 0.07 -0.39 0.00 0.00 0.00 0.00 27.48 27.21 1jh4 h GLN 80 CO 0.00 -0.20 -0.76 0.00 0.00 0.00 0.00 178.83 177.86 1jh4 s ALA 81 N -3.60 2.37 -1.07 3.38 0.00 -1.21 -5.05 121.76 116.58 1jh4 s ALA 81 Ca -0.05 -1.90 -0.22 0.00 0.00 0.00 0.00 51.96 49.79 1jh4 s ALA 81 Cb 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 23.12 21.46 1jh4 s ALA 81 CO 0.14 -1.43 1.69 0.15 0.00 0.00 0.00 175.76 176.32 1jh4 s LYS 82 N 1.18 3.27 0.33 0.00 1.02 -1.26 -4.96 119.74 119.33 1jh4 s LYS 82 Ca 0.01 -1.10 -0.03 0.00 0.02 0.00 0.00 55.97 54.87 1jh4 s LYS 82 Cb -0.19 -5.31 -0.04 0.00 -0.52 0.00 0.00 37.83 31.77 1jh4 s LYS 82 CO -0.09 -2.74 0.58 -1.21 -0.92 0.00 0.00 175.35 170.97 1jh4 s GLU 83 N 5.52 3.58 -0.62 1.68 0.41 -1.26 -4.97 118.70 123.05 1jh4 s GLU 83 Ca 0.56 -0.06 -0.26 0.00 -0.41 0.00 0.00 54.97 54.80 1jh4 s GLU 83 Cb -0.01 -2.62 -0.09 0.00 -1.78 0.00 0.00 34.13 29.63 1jh4 s GLU 83 CO -0.01 0.15 2.38 0.00 -0.49 0.00 0.00 175.26 177.29 1jh4 s ALA 84 N -2.23 1.29 -0.89 5.21 0.00 -1.26 -4.81 121.76 119.08 1jh4 s ALA 84 Ca 0.43 -0.35 -0.07 0.00 0.00 0.00 0.00 51.96 51.98 1jh4 s ALA 84 Cb -0.10 -4.44 -0.10 0.00 0.00 0.00 0.00 23.12 18.48 1jh4 s ALA 84 CO 0.33 -5.01 2.50 0.00 0.00 0.00 0.00 175.76 173.59 1jh4 n ALA 85 N 16.83 5.54 -2.55 0.00 0.00 -1.26 -4.79 120.51 134.28 1jh4 n ALA 85 Ca 0.40 -2.25 -0.43 0.00 0.00 0.00 0.00 53.44 51.16 1jh4 n ALA 85 Cb 0.50 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1jh4 n ALA 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jh4 n GLN 86 N 3.65 3.21 0.01 0.00 6.02 -1.26 -4.68 117.38 124.33 1jh4 n GLN 86 Ca 0.51 -3.32 0.13 0.00 -0.01 0.00 0.00 57.00 54.30 1jh4 n GLN 86 Cb 0.29 -3.37 0.33 0.00 1.02 0.00 0.00 30.24 28.51 1jh4 n GLN 86 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1jh4 n LYS 87 N 7.50 0.04 -2.23 -1.09 4.81 -1.26 -4.79 118.16 121.14 1jh4 n LYS 87 Ca 0.47 0.02 -0.41 0.00 -0.87 0.00 0.00 58.31 57.51 1jh4 n LYS 87 Cb 0.44 -1.53 -0.03 0.00 0.02 0.00 0.00 35.03 33.93 1jh4 n LYS 87 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jh4 s ALA 88 N -3.02 2.66 -0.30 3.14 0.00 -1.26 -4.97 121.76 118.00 1jh4 s ALA 88 Ca 0.11 -0.50 -0.22 0.00 0.00 0.00 0.00 51.96 51.35 1jh4 s ALA 88 Cb 0.17 -4.14 -0.01 0.00 0.00 0.00 0.00 23.12 19.15 1jh4 s ALA 88 CO 0.66 -3.13 0.71 0.08 0.00 0.00 0.00 175.76 174.08 1jh4 s VAL 89 N 6.98 4.87 -1.23 0.00 1.01 -1.26 -4.98 120.40 125.79 1jh4 s VAL 89 Ca 0.61 1.05 -0.07 0.00 0.00 0.00 0.00 61.98 63.57 1jh4 s VAL 89 Cb -0.13 -4.07 0.20 0.00 0.00 0.00 0.00 36.38 32.38 1jh4 s VAL 89 CO 0.25 -0.17 1.88 0.59 0.00 0.00 0.00 175.10 177.65 1jh4 n ASN 90 N 6.02 5.96 -0.06 3.32 5.03 -1.26 -4.71 115.26 129.56 1jh4 n ASN 90 Ca 0.01 -3.21 -0.06 0.00 0.87 0.00 0.00 54.58 52.19 1jh4 n ASN 90 Cb 0.48 -1.40 -0.06 0.00 -1.02 0.00 0.00 39.78 37.79 1jh4 n ASN 90 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1jh4 h SER 91 N 5.41 -0.00 -0.36 6.41 4.64 -2.03 -3.39 113.55 124.22 1jh4 h SER 91 Ca 0.41 -0.45 -0.38 0.00 -0.47 0.00 0.00 61.79 60.90 1jh4 h SER 91 Cb 0.56 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1jh4 h SER 91 CO 1.52 0.72 1.27 0.00 -0.87 0.00 0.00 176.83 179.47 1jh4 n ALA 92 N -2.70 2.02 -0.39 5.18 0.00 -1.26 -4.67 120.51 118.68 1jh4 n ALA 92 Ca -0.05 -3.04 -0.06 0.00 0.00 0.00 0.00 53.44 50.29 1jh4 n ALA 92 Cb 0.22 -3.51 0.20 0.00 0.00 0.00 0.00 19.45 16.36 1jh4 n ALA 92 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jh4 n THR 93 N 7.51 2.18 0.08 0.00 -2.24 -1.26 -4.10 114.28 116.45 1jh4 n THR 93 Ca 0.46 -1.12 0.12 0.00 -2.27 0.00 0.00 64.05 61.24 1jh4 n THR 93 Cb 0.45 -0.50 0.25 0.00 -2.10 0.00 0.00 70.33 68.43 1jh4 n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jh4 n GLY 94 N -0.09 1.99 0.07 3.38 0.00 -1.26 -4.49 105.19 104.79 1jh4 n GLY 94 Ca 0.29 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 1jh4 n GLY 94 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jh4 h VAL 95 N 4.38 1.15 -4.09 1.61 2.07 -1.99 -3.46 116.25 115.92 1jh4 h VAL 95 Ca 0.00 -1.76 -0.50 0.00 0.82 0.00 0.00 66.70 65.26 1jh4 h VAL 95 Cb 0.98 2.13 0.07 0.00 -1.52 0.00 0.00 31.29 32.96 1jh4 h VAL 95 CO 0.00 0.37 0.43 -2.16 0.02 0.00 0.00 177.57 176.24 1jh4 s PRO 96 N -2.28 3.33 -0.10 1.57 0.04 -1.26 -4.99 135.00 131.31 1jh4 s PRO 96 Ca -0.13 1.62 -0.22 0.00 0.04 0.00 0.00 61.00 62.31 1jh4 s PRO 96 Cb -0.02 -2.00 -0.28 0.00 0.04 0.00 0.00 34.50 32.25 1jh4 s PRO 96 CO 0.47 -0.87 0.71 1.79 0.04 0.00 0.00 177.00 179.14 1jh4 h THR 97 N 1.17 1.42 0.00 1.26 1.35 -1.95 -3.51 112.91 112.65 1jh4 h THR 97 Ca -0.50 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 62.94 1jh4 h THR 97 Cb 1.26 3.05 0.00 0.00 -1.73 0.00 0.00 68.15 70.73 1jh4 h THR 97 CO 0.57 0.64 0.00 0.52 -0.25 0.00 0.00 175.52 177.00