#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 0.05 -3.02 1.61 -0.04 -1.26 -4.73 135.00 127.62 1jh4 n PRO 2 Ca 0.00 0.30 -0.39 0.00 -0.04 0.00 0.00 63.50 63.37 1jh4 n PRO 2 Cb 0.00 -1.60 -0.06 0.00 -0.04 0.00 0.00 33.50 31.80 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 -3.39 4.52 -0.42 1.53 1.43 -1.26 -5.01 118.68 116.07 1jh4 s LEU 3 Ca 0.06 1.51 -0.29 0.00 -1.03 0.00 0.00 54.13 54.38 1jh4 s LEU 3 Cb 0.09 -3.22 0.02 0.00 0.03 0.00 0.00 46.19 43.12 1jh4 s LEU 3 CO 0.29 0.13 1.19 -0.83 0.23 0.00 0.00 176.35 177.36 1jh4 s GLY 4 N -0.66 1.31 -0.18 -3.19 0.00 -1.26 -4.99 107.32 98.35 1jh4 s GLY 4 Ca 0.36 -0.30 -0.29 0.00 0.00 0.00 0.00 44.72 44.49 1jh4 s GLY 4 CO 0.24 2.47 1.34 -0.56 0.00 0.00 0.00 173.10 176.59 1jh4 s SER 5 N 2.61 6.82 0.63 1.64 0.01 -1.26 -4.89 113.70 119.26 1jh4 s SER 5 Ca 0.51 1.66 0.28 0.00 1.31 0.00 0.00 55.95 59.71 1jh4 s SER 5 Cb -0.10 -2.54 1.49 0.00 0.21 0.00 0.00 66.02 65.08 1jh4 s SER 5 CO 0.28 -0.88 1.87 -0.65 0.41 0.00 0.00 173.24 174.28 1jh4 h PRO 6 N 8.74 0.00 -6.28 12.44 0.11 -2.03 -3.41 132.00 141.57 1jh4 h PRO 6 Ca -0.28 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.28 1jh4 h PRO 6 Cb 1.11 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1jh4 h PRO 6 CO 0.98 0.00 0.12 -1.17 -0.21 0.00 0.00 178.00 177.72 1jh4 s LEU 7 N -6.55 4.47 -0.06 2.35 1.98 -1.26 -4.98 118.68 114.63 1jh4 s LEU 7 Ca -0.04 1.41 -0.06 0.00 -2.89 0.00 0.00 54.13 52.55 1jh4 s LEU 7 Cb 0.12 -3.16 -0.28 0.00 0.66 0.00 0.00 46.19 43.52 1jh4 s LEU 7 CO 0.40 0.07 0.63 0.71 -1.89 0.00 0.00 176.35 176.27 1jh4 h THR 8 N 3.99 0.89 0.19 3.68 1.35 -1.99 -2.77 112.91 118.26 1jh4 h THR 8 Ca -0.45 -2.54 -0.01 0.00 -0.55 0.00 0.00 66.41 62.86 1jh4 h THR 8 Cb 1.20 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 70.29 1jh4 h THR 8 CO 0.70 0.83 -0.11 0.00 -0.25 0.00 0.00 175.52 176.69 1jh4 h ALA 9 N 0.26 -1.03 -0.15 6.62 0.00 -1.96 -2.51 119.26 120.50 1jh4 h ALA 9 Ca -0.34 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1jh4 h ALA 9 Cb 2.06 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 20.00 1jh4 h ALA 9 CO 0.14 -1.01 0.20 1.03 0.00 0.00 0.00 179.25 179.61 1jh4 h SER 10 N -0.28 0.00 -0.25 0.00 0.87 -1.98 -1.68 113.55 110.24 1jh4 h SER 10 Ca -0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1jh4 h SER 10 Cb 0.22 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1jh4 h SER 10 CO 0.04 0.00 0.11 0.24 -0.53 0.00 0.00 176.83 176.69 1jh4 h MET 11 N 0.00 0.36 0.21 2.24 2.86 -1.18 -0.39 114.93 119.03 1jh4 h MET 11 Ca 0.07 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1jh4 h MET 11 Cb 0.46 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 1jh4 h MET 11 CO -0.00 0.38 -0.35 1.25 1.06 0.00 0.00 176.91 179.25 1jh4 h LEU 12 N 0.26 -0.99 0.00 1.22 7.12 -0.88 0.48 115.31 122.53 1jh4 h LEU 12 Ca 0.08 0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.20 1jh4 h LEU 12 Cb 0.14 0.36 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 1jh4 h LEU 12 CO -0.01 -0.45 0.00 0.00 -0.13 0.00 0.00 178.44 177.85 1jh4 n ALA 13 N -2.71 2.12 0.87 1.25 0.00 -1.15 -2.37 120.51 118.53 1jh4 n ALA 13 Ca -0.08 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.42 1jh4 n ALA 13 Cb 0.35 -1.17 0.24 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.80 2.74 -4.08 0.00 2.88 0.16 -4.92 113.62 109.59 1jh4 n SER 14 Ca 0.08 -1.88 -0.15 0.00 -1.33 0.00 0.00 58.87 55.59 1jh4 n SER 14 Cb 0.04 -0.10 -0.12 0.00 -0.75 0.00 0.00 64.21 63.28 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 -1.80 0.74 0.59 -1.46 0.00 -1.00 -4.80 121.76 114.04 1jh4 s ALA 15 Ca 0.34 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.50 1jh4 s ALA 15 Cb 0.21 -0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.35 1jh4 s ALA 15 CO 0.31 0.05 0.09 -2.30 0.00 0.00 0.00 175.76 173.91 1jh4 n PRO 16 N 1.59 1.24 0.00 0.00 -0.02 -1.26 -4.62 135.00 131.93 1jh4 n PRO 16 Ca -0.21 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.11 1jh4 n PRO 16 Cb 0.55 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 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 1.92 0.00 0.15 0.52 -0.02 -1.26 -2.28 135.00 134.03 1jh4 n PRO 17 Ca 0.01 0.36 0.11 0.00 -2.02 0.00 0.00 63.50 61.96 1jh4 n PRO 17 Cb 0.06 -1.08 0.54 0.00 -0.02 0.00 0.00 33.50 33.00 1jh4 n PRO 17 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jh4 n GLN 18 N -1.05 0.14 -0.68 -0.52 0.00 -1.26 -2.39 117.38 111.62 1jh4 n GLN 18 Ca 0.00 0.58 -0.10 0.00 0.00 0.00 0.00 57.00 57.49 1jh4 n GLN 18 Cb 0.00 -1.91 0.03 0.00 0.00 0.00 0.00 30.24 28.35 1jh4 n GLN 18 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1jh4 n GLU 19 N -2.21 1.46 0.00 2.61 -0.58 -0.97 -4.50 120.64 116.46 1jh4 n GLU 19 Ca -0.01 -0.92 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 29.58 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 0.70 0.00 0.00 3.49 10.64 -1.01 -4.02 117.38 127.19 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 0.59 -0.48 0.00 0.00 -0.86 0.00 0.00 30.24 29.49 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 0.94 0.14 2.61 4.76 -1.26 -4.27 118.16 120.86 1jh4 n LYS 21 Ca 0.00 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.38 1jh4 n LYS 21 Cb 0.00 -1.37 -0.03 0.00 -1.84 0.00 0.00 35.03 31.80 1jh4 n LYS 21 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1jh4 h GLN 22 N 0.05 -0.36 0.00 1.97 -0.00 -1.74 -3.22 115.11 111.79 1jh4 h GLN 22 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1jh4 h GLN 22 Cb 0.37 0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.93 1jh4 h GLN 22 CO 0.00 -0.24 0.00 -1.33 0.00 0.00 0.00 178.83 177.26 1jh4 n MET 23 N -3.23 0.00 -0.12 1.69 0.00 -1.26 -3.45 117.12 110.75 1jh4 n MET 23 Ca -0.05 0.01 -0.03 0.00 0.00 0.00 0.00 57.70 57.64 1jh4 n MET 23 Cb 0.15 -0.59 -0.01 0.00 0.00 0.00 0.00 33.22 32.77 1jh4 n MET 23 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1jh4 n LEU 24 N -0.10 0.77 0.00 4.03 -0.00 -1.26 -4.89 117.00 115.55 1jh4 n LEU 24 Ca 0.00 -1.14 0.00 0.00 -0.00 0.00 0.00 56.01 54.87 1jh4 n LEU 24 Cb 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 42.98 1jh4 n LEU 24 CO 0.00 -0.68 0.00 0.61 -0.00 0.00 0.00 177.39 177.32 1jh4 n GLY 25 N 3.59 0.56 0.00 1.47 0.00 -1.22 -4.09 105.19 105.50 1jh4 n GLY 25 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 3.52 0.00 -0.03 1.61 0.00 -1.26 -4.26 120.64 120.23 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 -0.49 0.00 0.00 0.00 0.00 0.00 31.44 30.95 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 -0.35 0.09 -0.00 3.44 5.12 -1.26 -4.87 116.66 118.83 1jh4 n ARG 27 Ca 0.00 -0.56 -0.17 0.00 -1.93 0.00 0.00 57.85 55.19 1jh4 n ARG 27 Cb 0.00 -0.52 -0.12 0.00 -1.16 0.00 0.00 32.46 30.66 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 0.39 -0.65 0.55 3.38 -1.89 -3.19 115.31 113.90 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 1.01 -0.12 -0.12 0.00 0.09 0.00 0.00 40.66 41.51 1jh4 h LEU 28 CO 0.00 1.16 -0.22 0.15 0.09 0.00 0.00 178.44 179.62 1jh4 h PHE 29 N -0.33 -0.52 -0.53 1.13 3.57 -1.80 0.87 116.94 119.33 1jh4 h PHE 29 Ca -0.07 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1jh4 h PHE 29 Cb 1.26 0.33 -0.07 0.00 2.79 0.00 0.00 35.95 40.26 1jh4 h PHE 29 CO 0.17 -0.32 0.17 -1.35 -2.23 0.00 0.00 178.31 174.75 1jh4 h PRO 30 N -0.05 0.32 -0.01 6.41 0.11 -1.87 1.44 132.00 138.35 1jh4 h PRO 30 Ca 0.30 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 1jh4 h PRO 30 Cb 0.52 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 1jh4 h PRO 30 CO -0.69 0.21 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.22 1jh4 h LEU 31 N 0.33 0.04 -0.61 2.35 3.38 -0.84 -3.06 115.31 116.90 1jh4 h LEU 31 Ca 0.26 -0.54 -0.12 0.00 0.09 0.00 0.00 57.88 57.57 1jh4 h LEU 31 Cb 0.32 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1jh4 h LEU 31 CO -0.29 0.57 -0.23 -0.29 0.09 0.00 0.00 178.44 178.30 1jh4 h ILE 32 N -0.49 1.27 -0.95 1.22 -0.00 0.79 -2.24 117.51 117.12 1jh4 h ILE 32 Ca 0.00 -1.36 0.27 0.00 -0.00 0.00 0.00 64.86 63.77 1jh4 h ILE 32 Cb 0.57 1.18 -0.14 0.00 -0.00 0.00 0.00 36.82 38.43 1jh4 h ILE 32 CO 0.00 0.46 0.43 -0.61 -0.00 0.00 0.00 178.15 178.44 1jh4 h GLN 33 N 0.75 0.30 -0.32 2.19 4.15 0.20 2.50 115.11 124.87 1jh4 h GLN 33 Ca 0.10 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.51 1jh4 h GLN 33 Cb 0.77 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 1jh4 h GLN 33 CO 0.06 0.20 0.21 0.00 -1.93 0.00 0.00 178.83 177.38 1jh4 h ALA 34 N 1.80 1.82 0.00 3.38 0.00 -1.29 -3.28 119.26 121.69 1jh4 h ALA 34 Ca 0.64 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.29 1jh4 h ALA 34 Cb 1.37 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1jh4 h ALA 34 CO -0.61 0.15 -1.77 -1.33 0.00 0.00 0.00 179.25 175.70 1jh4 n MET 35 N -4.49 0.56 -3.50 0.00 2.81 0.48 -5.04 117.12 107.95 1jh4 n MET 35 Ca 0.02 0.27 -0.21 0.00 -1.81 0.00 0.00 57.70 55.98 1jh4 n MET 35 Cb 0.10 -1.49 0.08 0.00 -0.71 0.00 0.00 33.22 31.20 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 -4.36 -2.56 0.00 2.03 8.25 0.73 -4.97 115.22 114.34 1jh4 n HIS 36 Ca -0.35 0.95 0.00 0.00 -0.26 0.00 0.00 57.72 58.06 1jh4 n HIS 36 Cb 0.70 -4.92 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 -4.56 0.00 -0.06 -0.41 -0.04 -1.26 -4.69 135.00 123.97 1jh4 n PRO 37 Ca -0.09 0.31 -0.06 0.00 -0.04 0.00 0.00 63.50 63.62 1jh4 n PRO 37 Cb 0.59 -1.25 -0.02 0.00 -0.04 0.00 0.00 33.50 32.78 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 1.04 -3.15 0.52 -2.24 -1.26 -5.03 114.28 102.82 1jh4 n THR 38 Ca 0.00 0.26 0.04 0.00 -2.27 0.00 0.00 64.05 62.08 1jh4 n THR 38 Cb 0.00 -2.10 -0.01 0.00 -2.10 0.00 0.00 70.33 66.12 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 -7.04 -1.17 0.20 3.22 0.20 -1.26 -5.05 118.68 107.77 1jh4 s LEU 39 Ca -0.19 0.63 -0.14 0.00 0.69 0.00 0.00 54.13 55.13 1jh4 s LEU 39 Cb 0.03 1.94 0.20 0.00 -0.43 0.00 0.00 46.19 47.92 1jh4 s LEU 39 CO 0.28 -0.22 1.65 0.00 -0.29 0.00 0.00 176.35 177.77 1jh4 h ALA 40 N 7.97 0.40 0.67 5.97 0.00 -1.91 0.73 119.26 133.10 1jh4 h ALA 40 Ca -0.18 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1jh4 h ALA 40 Cb 1.17 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1jh4 h ALA 40 CO 0.15 -0.43 -0.47 0.78 0.00 0.00 0.00 179.25 179.29 1jh4 h GLY 41 N 0.03 -1.28 1.14 0.00 0.00 -1.97 -2.77 103.07 98.22 1jh4 h GLY 41 Ca 0.27 0.54 -0.10 0.00 0.00 0.00 0.00 47.33 48.04 1jh4 h GLY 41 CO -0.54 -0.42 -0.04 0.50 0.00 0.00 0.00 176.54 176.04 1jh4 h LYS 42 N -1.09 1.02 -0.90 4.80 1.79 -1.94 -3.06 116.57 117.19 1jh4 h LYS 42 Ca -0.09 -0.34 0.19 0.00 -2.18 0.00 0.00 60.65 58.24 1jh4 h LYS 42 Cb 0.89 -0.09 -0.11 0.00 -1.58 0.00 0.00 32.23 31.34 1jh4 h LYS 42 CO 0.05 1.02 0.45 0.97 -1.08 0.00 0.00 179.45 180.87 1jh4 h ILE 43 N 0.92 0.60 -0.55 1.86 2.10 0.51 -1.20 117.51 121.75 1jh4 h ILE 43 Ca 0.16 -0.19 0.03 0.00 1.08 0.00 0.00 64.86 65.94 1jh4 h ILE 43 Cb 0.59 0.01 -0.04 0.00 -1.09 0.00 0.00 36.82 36.29 1jh4 h ILE 43 CO 0.04 0.10 0.33 0.74 -1.08 0.00 0.00 178.15 178.27 1jh4 h THR 44 N 0.54 1.06 -0.66 2.19 2.02 -1.38 -1.64 112.91 115.04 1jh4 h THR 44 Ca 0.53 -0.22 0.13 0.00 0.77 0.00 0.00 66.41 67.62 1jh4 h THR 44 Cb 0.91 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1jh4 h THR 44 CO -0.45 0.12 0.44 1.23 0.37 0.00 0.00 175.52 177.24 1jh4 h GLY 45 N 0.65 0.57 0.42 2.16 0.00 -1.30 0.28 103.07 105.85 1jh4 h GLY 45 Ca 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1jh4 h GLY 45 CO -0.10 0.07 -0.20 -0.33 0.00 0.00 0.00 176.54 175.98 1jh4 h MET 46 N 0.37 -0.54 -0.04 4.80 2.07 -1.25 -3.17 114.93 117.16 1jh4 h MET 46 Ca 0.31 0.04 0.01 0.00 -2.07 0.00 0.00 59.70 57.99 1jh4 h MET 46 Cb 0.73 0.12 -0.00 0.00 -1.87 0.00 0.00 31.60 30.58 1jh4 h MET 46 CO -0.09 -0.36 0.09 -0.07 1.07 0.00 0.00 176.91 177.56 1jh4 h LEU 47 N -0.99 0.00 -0.87 1.22 -0.00 -1.04 -2.90 115.31 110.74 1jh4 h LEU 47 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1jh4 h LEU 47 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1jh4 h LEU 47 CO 0.09 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.71 1jh4 n LEU 48 N -3.42 0.04 0.01 1.67 4.32 0.96 -3.16 117.00 117.42 1jh4 n LEU 48 Ca -0.02 -0.02 0.10 0.00 -0.02 0.00 0.00 56.01 56.06 1jh4 n LEU 48 Cb 0.18 -0.02 0.46 0.00 -1.62 0.00 0.00 43.42 42.41 1jh4 n LEU 48 CO 0.23 0.01 0.84 -1.84 -1.22 0.00 0.00 177.39 175.41 1jh4 n GLU 49 N 0.35 0.02 -3.77 3.23 -0.00 -1.10 -4.81 120.64 114.56 1jh4 n GLU 49 Ca 0.00 0.15 -0.24 0.00 -0.00 0.00 0.00 57.16 57.07 1jh4 n GLU 49 Cb 0.01 -1.53 -0.01 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 -3.02 1.98 0.38 3.84 1.10 -1.19 -5.11 121.20 119.18 1jh4 s ILE 50 Ca 0.10 -1.44 -0.25 0.00 -0.51 0.00 0.00 60.65 58.55 1jh4 s ILE 50 Cb 0.14 -2.42 -0.09 0.00 0.15 0.00 0.00 42.46 40.24 1jh4 s ILE 50 CO 0.40 0.00 1.10 -0.62 -2.11 0.00 0.00 174.94 173.71 1jh4 s ASP 51 N -4.24 6.76 0.59 4.50 -1.08 -1.26 -4.90 116.67 117.04 1jh4 s ASP 51 Ca 0.40 2.18 0.29 0.00 -0.52 0.00 0.00 52.55 54.90 1jh4 s ASP 51 Cb -0.02 -2.60 1.34 0.00 -1.46 0.00 0.00 42.92 40.18 1jh4 s ASP 51 CO 0.24 -0.50 1.72 -1.13 0.52 0.00 0.00 175.17 176.02 1jh4 h ASN 52 N 2.76 0.00 0.87 -0.34 -0.73 -1.99 0.50 115.58 116.65 1jh4 h ASN 52 Ca -0.48 0.00 -0.09 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 0.63 0.00 -0.42 0.77 -0.37 0.00 0.00 177.43 178.04 1jh4 h SER 53 N 0.00 0.00 -0.01 1.15 4.64 -2.01 -3.04 113.55 114.28 1jh4 h SER 53 Ca 0.33 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.47 1jh4 h SER 53 Cb 1.79 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.89 1jh4 h SER 53 CO -0.00 0.42 -0.70 -0.08 -0.87 0.00 0.00 176.83 175.59 1jh4 h GLU 54 N 0.00 0.49 0.00 4.77 4.57 -0.34 -3.10 114.58 120.97 1jh4 h GLU 54 Ca -0.00 -0.52 -0.03 0.00 -1.18 0.00 0.00 59.36 57.63 1jh4 h GLU 54 Cb 0.96 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1jh4 h GLU 54 CO 0.05 1.16 -0.13 -0.07 -1.18 0.00 0.00 179.01 178.84 1jh4 h LEU 55 N 0.04 0.00 -0.33 1.64 4.07 -1.56 -1.72 115.31 117.44 1jh4 h LEU 55 Ca -0.09 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.79 1jh4 h LEU 55 Cb 1.39 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.13 1jh4 h LEU 55 CO 0.14 0.13 -0.11 -0.07 -1.08 0.00 0.00 178.44 177.45 1jh4 h LEU 56 N 0.00 0.67 -0.37 1.67 4.07 -1.52 -0.58 115.31 119.25 1jh4 h LEU 56 Ca -0.00 -0.38 0.02 0.00 0.08 0.00 0.00 57.88 57.60 1jh4 h LEU 56 Cb 0.28 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 1jh4 h LEU 56 CO 0.02 0.90 0.20 0.45 -1.08 0.00 0.00 178.44 178.93 1jh4 h HIS 57 N 0.43 0.38 -0.38 1.13 3.86 -1.25 -2.17 115.15 117.14 1jh4 h HIS 57 Ca 0.08 0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.18 1jh4 h HIS 57 Cb 0.62 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1jh4 h HIS 57 CO 0.05 0.21 -0.28 0.00 0.86 0.00 0.00 177.93 178.78 1jh4 h MET 58 N 0.41 0.80 -0.13 2.45 -0.00 -1.37 -2.24 114.93 114.85 1jh4 h MET 58 Ca 0.15 -0.35 -0.00 0.00 -0.00 0.00 0.00 59.70 59.50 1jh4 h MET 58 Cb 0.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 31.61 1jh4 h MET 58 CO -0.09 0.98 0.07 1.25 -0.00 0.00 0.00 176.91 179.13 1jh4 h LEU 59 N 0.69 0.15 -2.11 -0.10 5.85 -0.70 0.62 115.31 119.71 1jh4 h LEU 59 Ca 0.08 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1jh4 h LEU 59 Cb 0.81 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1jh4 h LEU 59 CO 0.07 0.12 0.00 -0.62 -0.34 0.00 0.00 178.44 177.67 1jh4 n GLU 60 N -4.50 2.37 -3.48 1.25 1.02 -0.85 -4.75 120.64 111.69 1jh4 n GLU 60 Ca -0.01 -2.08 -0.23 0.00 -0.02 0.00 0.00 57.16 54.83 1jh4 n GLU 60 Cb 0.09 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 29.90 1jh4 n GLU 60 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jh4 s SER 61 N -1.42 2.49 0.40 1.62 0.15 0.21 -5.02 113.70 112.13 1jh4 s SER 61 Ca 0.38 -0.94 0.15 0.00 0.70 0.00 0.00 55.95 56.25 1jh4 s SER 61 Cb 0.22 0.09 1.02 0.00 -1.71 0.00 0.00 66.02 65.64 1jh4 s SER 61 CO 0.30 -0.40 1.87 -0.65 1.20 0.00 0.00 173.24 175.56 1jh4 h PRO 62 N 8.34 0.46 0.17 5.44 0.11 -1.86 0.92 132.00 145.58 1jh4 h PRO 62 Ca -0.17 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.93 1jh4 h PRO 62 Cb 1.06 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 1jh4 h PRO 62 CO 0.37 0.30 -0.34 1.05 -0.21 0.00 0.00 178.00 179.18 1jh4 h GLU 63 N 0.47 -0.58 0.00 1.05 4.11 -1.95 0.12 114.58 117.80 1jh4 h GLU 63 Ca 0.45 0.04 -0.14 0.00 0.07 0.00 0.00 59.36 59.78 1jh4 h GLU 63 Cb 1.02 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1jh4 h GLU 63 CO -0.18 -0.39 -0.67 0.77 0.07 0.00 0.00 179.01 178.62 1jh4 h SER 64 N -0.60 0.00 0.39 3.06 0.02 -1.76 -3.09 113.55 111.58 1jh4 h SER 64 Ca 0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1jh4 h SER 64 Cb 0.61 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1jh4 h SER 64 CO -0.16 0.67 -0.27 0.25 -1.14 0.00 0.00 176.83 176.17 1jh4 h LEU 65 N 0.00 -0.71 -1.95 5.07 7.12 -0.24 -2.41 115.31 122.19 1jh4 h LEU 65 Ca -0.01 0.04 0.09 0.00 0.13 0.00 0.00 57.88 58.14 1jh4 h LEU 65 Cb 1.27 0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 41.60 1jh4 h LEU 65 CO 0.09 -0.40 0.24 -0.09 -0.13 0.00 0.00 178.44 178.15 1jh4 h ARG 66 N -0.63 0.05 -0.11 1.25 9.65 -0.88 -1.53 114.38 122.18 1jh4 h ARG 66 Ca -0.05 -0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.86 1jh4 h ARG 66 Cb 0.52 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.04 1jh4 h ARG 66 CO 0.03 0.03 -0.14 1.03 2.80 0.00 0.00 179.97 183.72 1jh4 h SER 67 N 0.05 -0.43 0.01 -3.80 0.87 -1.35 0.36 113.55 109.25 1jh4 h SER 67 Ca 0.16 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 1jh4 h SER 67 Cb 0.56 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1jh4 h SER 67 CO -0.01 -0.19 -0.04 0.11 -0.53 0.00 0.00 176.83 176.18 1jh4 h LYS 68 N -0.18 0.02 -0.02 2.24 1.57 -0.98 -3.20 116.57 116.02 1jh4 h LYS 68 Ca 0.09 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1jh4 h LYS 68 Cb 0.30 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1jh4 h LYS 68 CO -0.22 0.96 -0.12 0.28 -0.57 0.00 0.00 179.45 179.77 1jh4 h VAL 69 N -0.91 0.69 -0.42 0.50 2.07 -1.32 -1.94 116.25 114.93 1jh4 h VAL 69 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1jh4 h VAL 69 Cb 0.97 0.69 -0.09 0.00 -1.52 0.00 0.00 31.29 31.34 1jh4 h VAL 69 CO 0.01 0.00 -0.36 -0.78 0.02 0.00 0.00 177.57 176.46 1jh4 h ASP 70 N -0.20 -1.21 -0.66 0.57 3.58 -0.42 0.14 116.42 118.22 1jh4 h ASP 70 Ca 0.05 0.20 0.14 0.00 0.42 0.00 0.00 57.03 57.84 1jh4 h ASP 70 Cb 0.26 0.55 -0.11 0.00 1.72 0.00 0.00 39.33 41.75 1jh4 h ASP 70 CO -0.14 -0.34 -0.01 -0.33 -2.88 0.00 0.00 179.24 175.55 1jh4 h GLU 71 N -0.27 0.10 -0.68 0.28 3.07 -1.47 -0.36 114.58 115.25 1jh4 h GLU 71 Ca 0.17 -0.01 0.12 0.00 -0.50 0.00 0.00 59.36 59.14 1jh4 h GLU 71 Cb 0.56 -0.02 -0.12 0.00 -0.84 0.00 0.00 28.75 28.32 1jh4 h GLU 71 CO -0.56 0.07 -0.33 0.00 -1.40 0.00 0.00 179.01 176.79 1jh4 h ALA 72 N 1.61 0.05 -0.90 3.43 0.00 0.05 0.33 119.26 123.84 1jh4 h ALA 72 Ca 0.35 0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.60 1jh4 h ALA 72 Cb 0.58 0.80 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 1jh4 h ALA 72 CO -0.58 -0.64 0.50 0.28 0.00 0.00 0.00 179.25 178.82 1jh4 h VAL 73 N -0.12 0.77 0.12 0.00 2.07 -0.62 0.77 116.25 119.24 1jh4 h VAL 73 Ca 0.27 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1jh4 h VAL 73 Cb 0.56 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1jh4 h VAL 73 CO -0.74 0.13 -0.06 0.00 0.02 0.00 0.00 177.57 176.92 1jh4 h ALA 74 N 1.56 -0.16 0.38 1.67 0.00 -0.32 -2.97 119.26 119.43 1jh4 h ALA 74 Ca 0.49 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1jh4 h ALA 74 Cb 0.65 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1jh4 h ALA 74 CO -0.34 -0.27 -0.18 -0.24 0.00 0.00 0.00 179.25 178.21 1jh4 h VAL 75 N -0.79 0.00 -0.34 0.00 3.04 -0.15 -2.88 116.25 115.13 1jh4 h VAL 75 Ca -0.02 -0.28 0.07 0.00 -1.01 0.00 0.00 66.70 65.47 1jh4 h VAL 75 Cb 0.56 0.00 -0.08 0.00 -2.01 0.00 0.00 31.29 29.75 1jh4 h VAL 75 CO 0.03 0.00 -0.24 0.25 -1.01 0.00 0.00 177.57 176.60 1jh4 h LEU 76 N -0.79 -0.79 -1.62 3.16 5.85 0.36 1.41 115.31 122.90 1jh4 h LEU 76 Ca -0.05 0.16 0.21 0.00 0.84 0.00 0.00 57.88 59.04 1jh4 h LEU 76 Cb 0.39 0.39 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1jh4 h LEU 76 CO 0.09 -0.27 0.60 -0.61 -0.34 0.00 0.00 178.44 177.91 1jh4 h GLN 77 N -0.20 0.30 0.00 1.25 -0.00 -1.54 0.54 115.11 115.47 1jh4 h GLN 77 Ca 0.17 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.79 1jh4 h GLN 77 Cb 0.46 -0.07 -0.00 0.00 0.00 0.00 0.00 27.48 27.87 1jh4 h GLN 77 CO -0.45 0.20 -0.12 0.00 0.00 0.00 0.00 178.83 178.46 1jh4 h ALA 78 N 1.61 0.02 0.00 3.38 0.00 -0.11 -3.32 119.26 120.83 1jh4 h ALA 78 Ca 0.46 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jh4 h ALA 78 Cb 1.28 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1jh4 h ALA 78 CO -0.14 0.08 0.00 0.72 0.00 0.00 0.00 179.25 179.91 1jh4 n HIS 79 N -4.69 0.00 0.93 0.00 8.25 0.44 -3.70 115.22 116.46 1jh4 n HIS 79 Ca -0.06 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.41 1jh4 n HIS 79 Cb 0.23 -0.03 0.06 0.00 1.12 0.00 0.00 29.99 31.37 1jh4 n HIS 79 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1jh4 n GLN 80 N -0.24 1.51 -4.48 -0.41 0.00 0.19 -4.84 117.38 109.11 1jh4 n GLN 80 Ca 0.00 -0.46 -0.24 0.00 -0.00 0.00 0.00 57.00 56.30 1jh4 n GLN 80 Cb 0.08 -1.49 -0.08 0.00 0.00 0.00 0.00 30.24 28.75 1jh4 n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jh4 s ALA 81 N -1.40 2.72 0.13 1.69 0.00 -1.24 -5.07 121.76 118.58 1jh4 s ALA 81 Ca 0.08 -1.39 -0.31 0.00 0.00 0.00 0.00 51.96 50.34 1jh4 s ALA 81 Cb 0.06 0.84 -0.08 0.00 0.00 0.00 0.00 23.12 23.94 1jh4 s ALA 81 CO 0.03 -0.38 1.32 0.21 0.00 0.00 0.00 175.76 176.94 1jh4 s LYS 82 N -3.71 4.37 0.70 0.00 2.36 -1.26 -5.03 119.74 117.17 1jh4 s LYS 82 Ca 0.27 2.00 -0.12 0.00 -2.55 0.00 0.00 55.97 55.57 1jh4 s LYS 82 Cb 0.03 -3.25 0.16 0.00 -1.05 0.00 0.00 37.83 33.72 1jh4 s LYS 82 CO 0.16 -0.33 0.87 0.39 1.55 0.00 0.00 175.35 177.98 1jh4 n GLU 83 N 3.51 -1.20 -2.42 4.03 4.71 -1.26 -4.99 120.64 123.01 1jh4 n GLU 83 Ca 0.09 -1.34 -0.42 0.00 -0.01 0.00 0.00 57.16 55.48 1jh4 n GLU 83 Cb 0.43 -0.96 -0.03 0.00 -1.01 0.00 0.00 31.44 29.87 1jh4 n GLU 83 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jh4 s ALA 84 N -3.78 3.39 1.02 0.62 0.00 -1.26 -5.03 121.76 116.72 1jh4 s ALA 84 Ca 0.50 0.85 -0.16 0.00 0.00 0.00 0.00 51.96 53.15 1jh4 s ALA 84 Cb -0.02 -3.44 0.22 0.00 0.00 0.00 0.00 23.12 19.88 1jh4 s ALA 84 CO 0.36 -0.42 1.23 0.00 0.00 0.00 0.00 175.76 176.92 1jh4 n ALA 85 N 3.83 -1.61 -1.25 0.00 0.00 -1.26 -4.92 120.51 115.29 1jh4 n ALA 85 Ca 0.09 -1.61 -0.20 0.00 0.00 0.00 0.00 53.44 51.71 1jh4 n ALA 85 Cb 0.46 -0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.72 1jh4 n ALA 85 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1jh4 n GLN 86 N -3.74 2.24 -2.36 0.00 7.27 -1.26 -4.91 117.38 114.62 1jh4 n GLN 86 Ca 0.15 -1.70 -0.26 0.00 0.07 0.00 0.00 57.00 55.27 1jh4 n GLN 86 Cb 0.54 -2.08 0.15 0.00 2.41 0.00 0.00 30.24 31.26 1jh4 n GLN 86 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1jh4 s LYS 87 N -0.36 1.17 0.69 3.69 1.02 -1.26 -5.09 119.74 119.60 1jh4 s LYS 87 Ca 0.63 -0.93 -0.08 0.00 0.02 0.00 0.00 55.97 55.61 1jh4 s LYS 87 Cb 0.35 -2.14 0.05 0.00 -0.52 0.00 0.00 37.83 35.56 1jh4 s LYS 87 CO -0.11 -1.90 1.02 0.00 -0.92 0.00 0.00 175.35 173.44 1jh4 s ALA 88 N -3.45 3.09 -0.59 5.17 0.00 -1.26 -5.00 121.76 119.71 1jh4 s ALA 88 Ca 0.70 -0.76 -0.27 0.00 0.00 0.00 0.00 51.96 51.63 1jh4 s ALA 88 Cb -0.04 -2.70 0.03 0.00 0.00 0.00 0.00 23.12 20.41 1jh4 s ALA 88 CO 0.48 -1.21 1.16 0.14 0.00 0.00 0.00 175.76 176.33 1jh4 s VAL 89 N -3.25 4.05 -0.61 0.00 -7.23 -1.26 -4.89 120.40 107.23 1jh4 s VAL 89 Ca 0.59 0.75 -0.02 0.00 -1.81 0.00 0.00 61.98 61.48 1jh4 s VAL 89 Cb -0.11 -4.71 0.39 0.00 0.56 0.00 0.00 36.38 32.51 1jh4 s VAL 89 CO 0.46 -1.35 2.05 -0.46 -0.31 0.00 0.00 175.10 175.48 1jh4 n ASN 90 N 8.36 7.45 -1.39 4.85 6.94 -1.26 -4.57 115.26 135.64 1jh4 n ASN 90 Ca 0.07 -3.64 -0.05 0.00 -0.02 0.00 0.00 54.58 50.93 1jh4 n ASN 90 Cb 0.49 -1.00 0.12 0.00 -2.36 0.00 0.00 39.78 37.03 1jh4 n ASN 90 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1jh4 n SER 91 N -0.63 3.27 -0.05 0.53 3.41 -1.26 -4.30 113.62 114.60 1jh4 n SER 91 Ca 0.56 -2.61 -0.01 0.00 -0.26 0.00 0.00 58.87 56.55 1jh4 n SER 91 Cb 0.62 -0.63 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1jh4 n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jh4 h ALA 92 N 2.08 0.00 -3.16 7.33 0.00 -2.02 -3.43 119.26 120.05 1jh4 h ALA 92 Ca 0.18 -0.12 -0.69 0.00 0.00 0.00 0.00 54.91 54.28 1jh4 h ALA 92 Cb 1.59 0.11 -0.35 0.00 0.00 0.00 0.00 17.79 19.14 1jh4 h ALA 92 CO 0.40 0.11 -0.48 0.95 0.00 0.00 0.00 179.25 180.23 1jh4 s THR 93 N -1.60 3.44 -1.40 0.00 -4.23 -1.26 -5.00 115.64 105.58 1jh4 s THR 93 Ca -0.03 -2.47 -0.11 0.00 -1.18 0.00 0.00 61.69 57.90 1jh4 s THR 93 Cb 0.00 -3.31 0.08 0.00 1.34 0.00 0.00 72.50 70.62 1jh4 s THR 93 CO 0.05 -0.77 2.19 0.61 -0.54 0.00 0.00 174.62 176.15 1jh4 n GLY 94 N 4.09 4.61 3.29 3.99 0.00 -1.26 -4.88 105.19 115.02 1jh4 n GLY 94 Ca 0.02 -1.81 -0.45 0.00 0.00 0.00 0.00 46.02 43.78 1jh4 n GLY 94 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jh4 s VAL 95 N 1.64 5.23 -0.86 1.61 -7.23 -1.26 -4.99 120.40 114.55 1jh4 s VAL 95 Ca 0.47 -2.46 -0.24 0.00 -1.81 0.00 0.00 61.98 57.94 1jh4 s VAL 95 Cb 0.13 -4.27 -0.17 0.00 0.56 0.00 0.00 36.38 32.63 1jh4 s VAL 95 CO -0.05 -0.98 1.90 -0.81 -0.31 0.00 0.00 175.10 174.85 1jh4 n PRO 96 N 4.02 1.17 -4.04 4.82 -0.04 -1.26 -4.90 135.00 134.77 1jh4 n PRO 96 Ca 0.10 -1.95 -0.32 0.00 -0.04 0.00 0.00 63.50 61.29 1jh4 n PRO 96 Cb 0.45 -3.28 -0.06 0.00 -0.04 0.00 0.00 33.50 30.56 1jh4 n PRO 96 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1jh4 s THR 97 N 8.97 4.87 0.00 0.52 -4.23 -1.26 -5.36 115.64 119.15 1jh4 s THR 97 Ca 0.66 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 1jh4 s THR 97 Cb 0.07 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.64 1jh4 s THR 97 CO 0.17 0.28 0.22 1.33 -0.54 0.00 0.00 174.62 176.08