#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 0.13 0.01 1.61 -0.04 -1.26 -2.65 135.00 132.80 1jh4 n PRO 2 Ca 0.00 0.16 0.01 0.00 -0.04 0.00 0.00 63.50 63.63 1jh4 n PRO 2 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 1jh4 n PRO 2 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1jh4 n LEU 3 N -1.39 0.55 -4.66 1.53 -0.00 -1.26 -4.87 117.00 106.91 1jh4 n LEU 3 Ca 0.06 0.24 -0.43 0.00 -0.00 0.00 0.00 56.01 55.88 1jh4 n LEU 3 Cb 0.17 0.12 -0.02 0.00 -0.00 0.00 0.00 43.42 43.69 1jh4 n LEU 3 CO 0.15 0.15 0.95 -0.83 -0.00 0.00 0.00 177.39 177.81 1jh4 s GLY 4 N -4.82 1.67 0.61 -3.96 0.00 -1.08 -5.03 107.32 94.70 1jh4 s GLY 4 Ca -0.05 0.20 -0.07 0.00 0.00 0.00 0.00 44.72 44.80 1jh4 s GLY 4 CO 0.83 2.26 0.94 -0.56 0.00 0.00 0.00 173.10 176.56 1jh4 s SER 5 N 1.40 5.57 0.48 1.64 0.01 -1.26 -4.96 113.70 116.57 1jh4 s SER 5 Ca 0.46 0.79 0.23 0.00 1.31 0.00 0.00 55.95 58.73 1jh4 s SER 5 Cb -0.16 -1.75 1.25 0.00 0.21 0.00 0.00 66.02 65.57 1jh4 s SER 5 CO 0.09 -1.11 1.91 -0.65 0.41 0.00 0.00 173.24 173.88 1jh4 h PRO 6 N -0.26 0.21 -6.50 12.44 0.11 -2.00 -3.41 132.00 132.59 1jh4 h PRO 6 Ca -0.45 -0.01 -0.52 0.00 0.11 0.00 0.00 66.00 65.12 1jh4 h PRO 6 Cb 1.26 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1jh4 h PRO 6 CO 0.61 0.14 0.33 -1.17 -0.21 0.00 0.00 178.00 177.70 1jh4 s LEU 7 N -9.03 4.48 -0.03 2.35 1.98 -1.26 -4.96 118.68 112.20 1jh4 s LEU 7 Ca -0.07 1.72 -0.01 0.00 -2.89 0.00 0.00 54.13 52.88 1jh4 s LEU 7 Cb 0.21 -3.52 -0.26 0.00 0.66 0.00 0.00 46.19 43.28 1jh4 s LEU 7 CO 0.77 -0.07 0.70 0.71 -1.89 0.00 0.00 176.35 176.57 1jh4 h THR 8 N 4.14 0.97 0.09 3.68 1.35 -1.99 -2.98 112.91 118.16 1jh4 h THR 8 Ca -0.43 -2.67 -0.00 0.00 -0.55 0.00 0.00 66.41 62.76 1jh4 h THR 8 Cb 1.21 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 1jh4 h THR 8 CO 0.72 0.77 -0.05 0.00 -0.25 0.00 0.00 175.52 176.72 1jh4 h ALA 9 N 0.49 -1.00 -0.15 6.62 0.00 -1.96 -2.71 119.26 120.56 1jh4 h ALA 9 Ca -0.29 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1jh4 h ALA 9 Cb 2.02 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 1jh4 h ALA 9 CO 0.13 -1.00 0.16 0.77 0.00 0.00 0.00 179.25 179.31 1jh4 h SER 10 N -0.12 0.00 -0.68 0.00 0.02 -1.98 -0.65 113.55 110.13 1jh4 h SER 10 Ca -0.01 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1jh4 h SER 10 Cb 0.10 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1jh4 h SER 10 CO 0.02 0.00 0.30 0.00 -1.14 0.00 0.00 176.83 176.01 1jh4 h MET 11 N 0.00 1.03 0.49 3.45 -0.00 -1.36 -0.24 114.93 118.30 1jh4 h MET 11 Ca 0.07 -0.16 -0.02 0.00 -0.00 0.00 0.00 59.70 59.59 1jh4 h MET 11 Cb 0.39 -0.18 -0.00 0.00 -0.00 0.00 0.00 31.60 31.81 1jh4 h MET 11 CO -0.00 0.82 -0.30 1.25 -0.00 0.00 0.00 176.91 178.68 1jh4 h LEU 12 N 1.01 -0.75 0.00 -0.10 7.12 -0.79 -0.26 115.31 121.54 1jh4 h LEU 12 Ca 0.24 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.29 1jh4 h LEU 12 Cb 0.16 0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1jh4 h LEU 12 CO -0.02 -0.47 0.00 0.00 -0.13 0.00 0.00 178.44 177.81 1jh4 n ALA 13 N -2.50 2.08 0.03 1.25 0.00 -1.01 -2.22 120.51 118.14 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 0.33 -1.09 0.24 0.00 0.00 0.00 0.00 19.45 18.93 1jh4 n ALA 13 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1jh4 n SER 14 N -0.66 3.53 -4.09 0.00 3.41 -0.11 -4.95 113.62 110.74 1jh4 n SER 14 Ca 0.04 -1.97 -0.16 0.00 -0.26 0.00 0.00 58.87 56.52 1jh4 n SER 14 Cb 0.02 -0.32 -0.13 0.00 -0.26 0.00 0.00 64.21 63.52 1jh4 n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jh4 s ALA 15 N -1.25 0.83 0.67 7.33 0.00 -0.94 -5.04 121.76 123.37 1jh4 s ALA 15 Ca 0.40 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.56 1jh4 s ALA 15 Cb 0.22 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.31 1jh4 s ALA 15 CO 0.30 0.10 -0.00 -2.30 0.00 0.00 0.00 175.76 173.86 1jh4 n PRO 16 N 1.79 -0.66 0.00 0.00 -0.02 -1.26 -4.65 135.00 130.20 1jh4 n PRO 16 Ca -0.20 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.09 1jh4 n PRO 16 Cb 0.55 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.90 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 0.96 0.00 0.15 0.52 -0.02 -1.26 -2.28 135.00 133.08 1jh4 n PRO 17 Ca 0.02 0.30 0.11 0.00 -2.02 0.00 0.00 63.50 61.90 1jh4 n PRO 17 Cb 0.14 -1.01 0.55 0.00 -0.02 0.00 0.00 33.50 33.17 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 -0.82 0.14 -0.55 -0.52 0.00 -1.26 -2.47 117.38 111.91 1jh4 n GLN 18 Ca 0.00 0.60 -0.07 0.00 0.00 0.00 0.00 57.00 57.53 1jh4 n GLN 18 Cb 0.00 -1.93 0.02 0.00 0.00 0.00 0.00 30.24 28.33 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 -2.23 1.32 0.00 2.61 -0.58 -0.96 -4.50 120.64 116.30 1jh4 n GLU 19 Ca -0.01 -0.66 0.00 0.00 -0.42 0.00 0.00 57.16 56.07 1jh4 n GLU 19 Cb 0.07 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 1jh4 n GLU 19 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1jh4 n GLN 20 N 0.76 0.00 0.00 3.49 6.02 -1.03 -4.08 117.38 122.54 1jh4 n GLN 20 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1jh4 n GLN 20 Cb 0.59 -0.46 0.00 0.00 1.02 0.00 0.00 30.24 31.39 1jh4 n GLN 20 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1jh4 n LYS 21 N -0.23 0.93 0.23 -1.09 4.76 -1.26 -4.18 118.16 117.32 1jh4 n LYS 21 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 1jh4 n LYS 21 Cb 0.00 -1.28 -0.04 0.00 -1.84 0.00 0.00 35.03 31.87 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 0.04 -0.58 0.00 1.97 -0.00 -1.74 -3.09 115.11 111.71 1jh4 h GLN 22 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 1jh4 h GLN 22 Cb 0.28 0.13 0.00 0.00 0.00 0.00 0.00 27.48 27.89 1jh4 h GLN 22 CO 0.00 -0.38 0.00 -1.33 0.00 0.00 0.00 178.83 177.12 1jh4 n MET 23 N -3.86 0.00 -0.19 1.69 0.00 -1.26 -3.34 117.12 110.16 1jh4 n MET 23 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.59 1jh4 n MET 23 Cb 0.24 -0.45 -0.02 0.00 0.00 0.00 0.00 33.22 32.98 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 0.00 1.15 0.00 4.03 -0.00 -1.26 -4.89 117.00 116.03 1jh4 n LEU 24 Ca 0.00 -1.21 0.00 0.00 -0.00 0.00 0.00 56.01 54.80 1jh4 n LEU 24 Cb 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.00 1jh4 n LEU 24 CO 0.00 -0.35 0.00 0.61 -0.00 0.00 0.00 177.39 177.65 1jh4 n GLY 25 N 3.32 0.62 0.00 1.47 0.00 -1.17 -4.18 105.19 105.25 1jh4 n GLY 25 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 4.25 0.00 0.00 1.61 1.02 -1.25 -4.27 120.64 122.00 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 -0.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 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 -0.31 0.00 0.03 3.49 5.12 -1.26 -4.89 116.66 118.84 1jh4 n ARG 27 Ca 0.00 -0.41 -0.19 0.00 -1.93 0.00 0.00 57.85 55.31 1jh4 n ARG 27 Cb 0.00 -0.41 -0.11 0.00 -1.16 0.00 0.00 32.46 30.78 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 0.80 -0.54 0.55 3.38 -1.88 -3.21 115.31 114.41 1jh4 h LEU 28 Ca 0.00 -0.74 0.11 0.00 0.09 0.00 0.00 57.88 57.34 1jh4 h LEU 28 Cb 1.00 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.40 1jh4 h LEU 28 CO 0.00 1.44 -0.19 0.15 0.09 0.00 0.00 178.44 179.94 1jh4 h PHE 29 N 0.25 -0.44 -0.75 1.13 3.57 -1.80 1.09 116.94 119.98 1jh4 h PHE 29 Ca -0.11 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.46 1jh4 h PHE 29 Cb 1.58 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 40.56 1jh4 h PHE 29 CO 0.12 -0.28 0.48 -1.35 -2.23 0.00 0.00 178.31 175.05 1jh4 h PRO 30 N -0.06 0.93 -0.05 6.41 0.11 -1.87 1.33 132.00 138.80 1jh4 h PRO 30 Ca 0.26 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 1jh4 h PRO 30 Cb 0.45 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 1jh4 h PRO 30 CO -0.59 0.61 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.67 1jh4 h LEU 31 N 0.96 0.15 -0.55 2.35 3.38 -1.11 -2.99 115.31 117.50 1jh4 h LEU 31 Ca 0.29 -0.54 -0.12 0.00 0.09 0.00 0.00 57.88 57.60 1jh4 h LEU 31 Cb -0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1jh4 h LEU 31 CO -0.09 0.66 -0.13 -0.29 0.09 0.00 0.00 178.44 178.68 1jh4 h ILE 32 N -0.35 1.27 -0.93 1.22 -0.00 0.13 -2.35 117.51 116.49 1jh4 h ILE 32 Ca 0.00 -1.29 0.27 0.00 -0.00 0.00 0.00 64.86 63.84 1jh4 h ILE 32 Cb 0.63 0.98 -0.14 0.00 -0.00 0.00 0.00 36.82 38.28 1jh4 h ILE 32 CO 0.02 0.46 0.39 -0.61 -0.00 0.00 0.00 178.15 178.40 1jh4 h GLN 33 N 0.92 0.28 -0.27 2.19 4.15 0.18 2.33 115.11 124.89 1jh4 h GLN 33 Ca 0.14 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.56 1jh4 h GLN 33 Cb 0.70 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1jh4 h GLN 33 CO 0.05 0.19 0.18 0.00 -1.93 0.00 0.00 178.83 177.32 1jh4 h ALA 34 N 1.80 1.88 0.00 3.38 0.00 -1.27 -3.25 119.26 121.80 1jh4 h ALA 34 Ca 0.62 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 55.19 1jh4 h ALA 34 Cb 1.32 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1jh4 h ALA 34 CO -0.62 0.09 -2.03 -1.33 0.00 0.00 0.00 179.25 175.36 1jh4 n MET 35 N -4.50 0.57 -3.58 0.00 2.81 0.43 -5.03 117.12 107.82 1jh4 n MET 35 Ca 0.01 0.29 -0.21 0.00 -1.81 0.00 0.00 57.70 55.99 1jh4 n MET 35 Cb 0.12 -1.51 0.07 0.00 -0.71 0.00 0.00 33.22 31.19 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 -4.32 -2.40 0.00 2.03 8.25 0.68 -4.96 115.22 114.50 1jh4 n HIS 36 Ca -0.43 0.95 0.00 0.00 -0.26 0.00 0.00 57.72 57.98 1jh4 n HIS 36 Cb 0.77 -4.86 0.00 0.00 1.12 0.00 0.00 29.99 27.02 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 -4.50 0.00 -0.08 -0.41 -0.04 -1.26 -4.71 135.00 124.00 1jh4 n PRO 37 Ca -0.16 0.34 -0.07 0.00 -0.04 0.00 0.00 63.50 63.57 1jh4 n PRO 37 Cb 0.62 -1.27 -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 -2.37 -0.04 0.00 0.00 175.50 173.09 1jh4 n THR 38 N -1.52 1.34 -3.15 0.52 5.66 -1.26 -5.03 114.28 110.85 1jh4 n THR 38 Ca 0.00 0.19 0.05 0.00 -3.05 0.00 0.00 64.05 61.24 1jh4 n THR 38 Cb 0.00 -2.28 -0.01 0.00 -1.55 0.00 0.00 70.33 66.49 1jh4 n THR 38 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1jh4 s LEU 39 N -7.71 -0.94 0.16 1.09 0.05 -1.26 -5.05 118.68 105.02 1jh4 s LEU 39 Ca -0.23 0.48 -0.20 0.00 0.05 0.00 0.00 54.13 54.23 1jh4 s LEU 39 Cb 0.03 1.74 0.06 0.00 -2.05 0.00 0.00 46.19 45.97 1jh4 s LEU 39 CO 0.34 -0.17 1.65 0.00 -0.55 0.00 0.00 176.35 177.62 1jh4 h ALA 40 N 7.93 0.07 0.09 1.48 0.00 -1.91 0.73 119.26 127.65 1jh4 h ALA 40 Ca -0.15 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jh4 h ALA 40 Cb 1.17 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1jh4 h ALA 40 CO 0.07 -0.56 -0.13 0.78 0.00 0.00 0.00 179.25 179.41 1jh4 h GLY 41 N -0.13 -0.98 1.35 0.00 0.00 -1.97 -2.28 103.07 99.07 1jh4 h GLY 41 Ca 0.16 0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.91 1jh4 h GLY 41 CO -0.40 -0.34 0.25 0.50 0.00 0.00 0.00 176.54 176.56 1jh4 h LYS 42 N -0.23 0.84 -0.78 4.80 1.57 -1.97 -2.86 116.57 117.93 1jh4 h LYS 42 Ca -0.01 -0.12 0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1jh4 h LYS 42 Cb 0.21 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.29 1jh4 h LYS 42 CO -0.04 0.67 0.43 0.97 -0.57 0.00 0.00 179.45 180.92 1jh4 h ILE 43 N 0.83 0.90 -0.61 1.86 2.10 0.58 -2.37 117.51 120.81 1jh4 h ILE 43 Ca 0.20 -0.25 0.12 0.00 1.08 0.00 0.00 64.86 66.01 1jh4 h ILE 43 Cb 0.13 0.10 -0.10 0.00 -1.09 0.00 0.00 36.82 35.87 1jh4 h ILE 43 CO -0.02 0.13 0.05 0.74 -1.08 0.00 0.00 178.15 177.98 1jh4 h THR 44 N 0.74 0.55 -0.77 2.19 2.02 -1.17 0.12 112.91 116.59 1jh4 h THR 44 Ca 0.38 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.53 1jh4 h THR 44 Cb 0.35 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 1jh4 h THR 44 CO -0.25 0.03 0.49 1.23 0.37 0.00 0.00 175.52 177.39 1jh4 h GLY 45 N 0.17 1.12 0.67 2.16 0.00 -1.53 0.21 103.07 105.88 1jh4 h GLY 45 Ca 0.32 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1jh4 h GLY 45 CO -0.48 0.31 -0.26 -0.33 0.00 0.00 0.00 176.54 175.78 1jh4 h MET 46 N 0.95 -0.70 -0.01 4.80 2.07 -1.15 -2.80 114.93 118.09 1jh4 h MET 46 Ca 0.31 0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.99 1jh4 h MET 46 Cb 0.03 0.16 -0.00 0.00 -1.87 0.00 0.00 31.60 29.92 1jh4 h MET 46 CO -0.12 -0.40 0.10 -0.07 1.07 0.00 0.00 176.91 177.49 1jh4 h LEU 47 N -1.06 0.00 -1.61 1.22 -0.00 -0.69 -3.09 115.31 110.08 1jh4 h LEU 47 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1jh4 h LEU 47 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 1jh4 h LEU 47 CO 0.12 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.74 1jh4 n LEU 48 N -3.08 0.02 0.01 1.67 4.32 0.74 -3.41 117.00 117.27 1jh4 n LEU 48 Ca -0.03 -0.01 0.12 0.00 -0.02 0.00 0.00 56.01 56.08 1jh4 n LEU 48 Cb 0.16 -0.01 0.53 0.00 -1.62 0.00 0.00 43.42 42.48 1jh4 n LEU 48 CO 0.19 0.00 0.90 1.21 -1.22 0.00 0.00 177.39 178.47 1jh4 n GLU 49 N 0.80 0.03 -3.74 3.23 0.00 -1.17 -4.83 120.64 114.95 1jh4 n GLU 49 Ca 0.00 0.09 -0.23 0.00 0.00 0.00 0.00 57.16 57.02 1jh4 n GLU 49 Cb 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 31.44 29.87 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 2.35 0.43 6.31 2.07 -1.22 -5.12 121.20 123.01 1jh4 s ILE 50 Ca 0.12 -1.44 -0.23 0.00 -1.41 0.00 0.00 60.65 57.69 1jh4 s ILE 50 Cb 0.16 -2.79 -0.09 0.00 0.13 0.00 0.00 42.46 39.87 1jh4 s ILE 50 CO 0.47 0.00 1.05 -0.62 -1.91 0.00 0.00 174.94 173.93 1jh4 s ASP 51 N -4.13 6.56 0.60 4.50 2.15 -1.26 -4.91 116.67 120.19 1jh4 s ASP 51 Ca 0.44 2.02 0.28 0.00 0.43 0.00 0.00 52.55 55.72 1jh4 s ASP 51 Cb -0.02 -2.58 1.45 0.00 -0.30 0.00 0.00 42.92 41.48 1jh4 s ASP 51 CO 0.26 -0.63 1.86 -1.13 -0.17 0.00 0.00 175.17 175.35 1jh4 h ASN 52 N 2.13 0.00 0.35 -0.34 -0.73 -1.99 0.23 115.58 115.23 1jh4 h ASN 52 Ca -0.49 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 57.54 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 0.61 0.00 -0.59 -1.28 -0.37 0.00 0.00 177.43 175.80 1jh4 h SER 53 N 0.00 0.27 0.00 1.15 0.87 -2.00 -2.81 113.55 111.03 1jh4 h SER 53 Ca 0.19 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.52 1jh4 h SER 53 Cb 1.21 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 63.09 1jh4 h SER 53 CO -0.00 0.80 -0.31 -0.33 -0.53 0.00 0.00 176.83 176.46 1jh4 h GLU 54 N 0.18 0.20 -0.04 2.24 4.39 -0.91 -3.15 114.58 117.50 1jh4 h GLU 54 Ca -0.00 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.48 1jh4 h GLU 54 Cb 1.09 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1jh4 h GLU 54 CO 0.09 0.96 0.04 -0.07 -1.16 0.00 0.00 179.01 178.87 1jh4 h LEU 55 N -0.46 0.00 -0.22 1.33 3.38 -1.55 -1.24 115.31 116.55 1jh4 h LEU 55 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1jh4 h LEU 55 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1jh4 h LEU 55 CO 0.06 0.00 -0.03 -0.07 0.09 0.00 0.00 178.44 178.49 1jh4 h LEU 56 N 0.00 0.41 -1.50 1.67 3.38 -1.50 -2.38 115.31 115.39 1jh4 h LEU 56 Ca 0.02 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 57.71 1jh4 h LEU 56 Cb 0.09 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1jh4 h LEU 56 CO -0.00 0.66 0.42 -0.74 0.09 0.00 0.00 178.44 178.87 1jh4 h HIS 57 N 0.16 0.61 -0.60 1.13 2.76 -1.20 -0.92 115.15 117.09 1jh4 h HIS 57 Ca 0.06 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.20 1jh4 h HIS 57 Cb 0.47 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 1jh4 h HIS 57 CO 0.05 0.32 0.19 0.52 -1.30 0.00 0.00 177.93 177.71 1jh4 h MET 58 N 0.61 0.93 0.00 5.26 2.86 -1.13 -0.82 114.93 122.64 1jh4 h MET 58 Ca 0.28 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1jh4 h MET 58 Cb 0.31 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 1jh4 h MET 58 CO -0.09 0.83 -0.01 1.25 1.06 0.00 0.00 176.91 179.95 1jh4 h LEU 59 N 0.85 0.00 -0.63 1.22 6.46 -0.66 -0.20 115.31 122.35 1jh4 h LEU 59 Ca 0.19 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1jh4 h LEU 59 Cb 0.28 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 1jh4 h LEU 59 CO -0.01 0.01 -0.65 -0.62 -0.62 0.00 0.00 178.44 176.55 1jh4 n GLU 60 N -3.87 0.88 -3.37 1.25 1.02 -0.92 -4.73 120.64 110.90 1jh4 n GLU 60 Ca -0.03 -0.62 -0.23 0.00 -0.02 0.00 0.00 57.16 56.25 1jh4 n GLU 60 Cb 0.09 -1.46 -0.09 0.00 -0.02 0.00 0.00 31.44 29.96 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 -2.61 1.77 0.62 1.62 0.15 -0.10 -4.99 113.70 110.17 1jh4 s SER 61 Ca 0.14 -2.21 0.29 0.00 0.70 0.00 0.00 55.95 54.88 1jh4 s SER 61 Cb 0.17 0.02 1.55 0.00 -1.71 0.00 0.00 66.02 66.04 1jh4 s SER 61 CO 0.66 -0.24 1.92 -0.65 1.20 0.00 0.00 173.24 176.12 1jh4 h PRO 62 N 6.56 0.00 0.69 5.44 0.11 -1.82 -1.99 132.00 140.99 1jh4 h PRO 62 Ca 0.11 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 1jh4 h PRO 62 Cb 0.99 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1jh4 h PRO 62 CO 0.25 0.00 -0.40 0.93 -0.21 0.00 0.00 178.00 178.58 1jh4 h GLU 63 N 0.00 -0.98 -0.16 1.05 5.08 -1.94 0.30 114.58 117.93 1jh4 h GLU 63 Ca 0.11 0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 1jh4 h GLU 63 Cb 0.90 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1jh4 h GLU 63 CO -0.00 -0.65 -0.38 0.77 -1.00 0.00 0.00 179.01 177.75 1jh4 h SER 64 N -1.01 0.37 0.50 1.42 0.02 -1.83 -3.07 113.55 109.95 1jh4 h SER 64 Ca -0.09 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1jh4 h SER 64 Cb 0.80 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1jh4 h SER 64 CO 0.11 0.72 -0.42 0.25 -1.14 0.00 0.00 176.83 176.36 1jh4 h LEU 65 N 0.30 -1.11 -2.07 5.07 7.12 -1.19 -1.38 115.31 122.04 1jh4 h LEU 65 Ca 0.03 0.08 0.10 0.00 0.13 0.00 0.00 57.88 58.23 1jh4 h LEU 65 Cb 0.81 0.36 -0.01 0.00 -0.53 0.00 0.00 40.66 41.28 1jh4 h LEU 65 CO 0.06 -0.59 0.32 0.03 -0.13 0.00 0.00 178.44 178.13 1jh4 h ARG 66 N -0.91 0.00 -0.59 1.25 2.47 -0.38 -0.94 114.38 115.28 1jh4 h ARG 66 Ca -0.05 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.70 1jh4 h ARG 66 Cb 0.78 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.06 1jh4 h ARG 66 CO -0.02 0.00 0.35 1.03 0.56 0.00 0.00 179.97 181.90 1jh4 h SER 67 N 0.00 0.57 0.02 7.04 0.87 -1.15 0.20 113.55 121.10 1jh4 h SER 67 Ca 0.17 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 1jh4 h SER 67 Cb 0.80 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1jh4 h SER 67 CO -0.00 0.40 -0.18 0.11 -0.53 0.00 0.00 176.83 176.62 1jh4 h LYS 68 N 0.69 0.08 -0.11 2.24 1.79 -1.04 -3.20 116.57 117.03 1jh4 h LYS 68 Ca 0.24 -0.12 0.03 0.00 -2.18 0.00 0.00 60.65 58.62 1jh4 h LYS 68 Cb 0.03 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.69 1jh4 h LYS 68 CO -0.11 0.99 -0.10 0.28 -1.08 0.00 0.00 179.45 179.43 1jh4 h VAL 69 N -0.77 0.71 -0.14 0.50 2.07 -1.37 -1.78 116.25 115.47 1jh4 h VAL 69 Ca -0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1jh4 h VAL 69 Cb 1.08 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 1jh4 h VAL 69 CO 0.03 0.00 -0.54 -0.78 0.02 0.00 0.00 177.57 176.31 1jh4 h ASP 70 N -0.12 -1.70 -0.36 0.57 3.58 -0.73 0.22 116.42 117.88 1jh4 h ASP 70 Ca 0.08 0.20 0.08 0.00 0.42 0.00 0.00 57.03 57.81 1jh4 h ASP 70 Cb 0.24 0.67 -0.08 0.00 1.72 0.00 0.00 39.33 41.87 1jh4 h ASP 70 CO -0.19 -0.48 -0.24 -0.33 -2.88 0.00 0.00 179.24 175.12 1jh4 h GLU 71 N -0.58 -0.18 -0.69 0.28 3.07 -1.50 -0.54 114.58 114.44 1jh4 h GLU 71 Ca 0.04 0.01 0.13 0.00 -0.50 0.00 0.00 59.36 59.04 1jh4 h GLU 71 Cb 0.68 0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 28.54 1jh4 h GLU 71 CO -0.44 -0.12 0.21 0.00 -1.40 0.00 0.00 179.01 177.26 1jh4 h ALA 72 N 0.96 0.89 -0.98 3.43 0.00 -0.63 0.81 119.26 123.74 1jh4 h ALA 72 Ca 0.18 0.13 0.18 0.00 0.00 0.00 0.00 54.91 55.39 1jh4 h ALA 72 Cb 0.47 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 1jh4 h ALA 72 CO -0.47 -0.27 0.59 0.28 0.00 0.00 0.00 179.25 179.38 1jh4 h VAL 73 N 0.34 0.73 0.20 0.00 2.07 0.68 1.80 116.25 122.07 1jh4 h VAL 73 Ca 0.37 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1jh4 h VAL 73 Cb 0.57 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1jh4 h VAL 73 CO -0.42 0.14 -0.10 0.00 0.02 0.00 0.00 177.57 177.22 1jh4 h ALA 74 N 1.62 -0.27 0.54 1.67 0.00 -0.59 -2.86 119.26 119.38 1jh4 h ALA 74 Ca 0.56 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1jh4 h ALA 74 Cb 0.82 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.72 1jh4 h ALA 74 CO -0.37 -0.33 -0.26 -0.24 0.00 0.00 0.00 179.25 178.05 1jh4 h VAL 75 N -0.91 0.00 0.04 0.00 3.04 -0.54 -2.74 116.25 115.14 1jh4 h VAL 75 Ca -0.03 -0.42 0.01 0.00 -1.01 0.00 0.00 66.70 65.26 1jh4 h VAL 75 Cb 0.50 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 29.74 1jh4 h VAL 75 CO 0.05 0.00 -0.37 0.25 -1.01 0.00 0.00 177.57 176.48 1jh4 h LEU 76 N -1.14 -1.14 -1.86 3.16 6.46 0.26 0.93 115.31 121.98 1jh4 h LEU 76 Ca -0.07 0.12 0.18 0.00 -0.12 0.00 0.00 57.88 57.98 1jh4 h LEU 76 Cb 0.56 0.43 -0.02 0.00 -0.73 0.00 0.00 40.66 40.89 1jh4 h LEU 76 CO 0.12 -0.38 0.60 -0.61 -0.62 0.00 0.00 178.44 177.55 1jh4 h GLN 77 N -0.50 0.00 0.03 1.25 5.75 -1.46 0.25 115.11 120.44 1jh4 h GLN 77 Ca 0.00 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 1jh4 h GLN 77 Cb 0.52 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.07 1jh4 h GLN 77 CO -0.22 0.00 -0.37 0.00 -2.65 0.00 0.00 178.83 175.58 1jh4 h ALA 78 N 1.37 0.02 0.00 3.38 0.00 -0.53 -3.30 119.26 120.19 1jh4 h ALA 78 Ca 0.29 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1jh4 h ALA 78 Cb 1.48 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1jh4 h ALA 78 CO -0.00 0.19 0.00 0.72 0.00 0.00 0.00 179.25 180.16 1jh4 n HIS 79 N -4.46 0.00 0.93 0.00 8.25 0.30 -2.67 115.22 117.57 1jh4 n HIS 79 Ca -0.14 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.34 1jh4 n HIS 79 Cb 0.59 -0.43 0.07 0.00 1.12 0.00 0.00 29.99 31.34 1jh4 n HIS 79 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1jh4 n GLN 80 N -1.43 1.58 -0.02 -0.41 1.13 0.68 -3.46 117.38 115.45 1jh4 n GLN 80 Ca 0.05 -0.53 -0.00 0.00 -1.94 0.00 0.00 57.00 54.58 1jh4 n GLN 80 Cb 0.17 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 28.99 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 0.04 2.01 0.42 -1.58 0.00 -1.09 -4.50 120.51 115.82 1jh4 n ALA 81 Ca 0.05 -0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.34 1jh4 n ALA 81 Cb 0.33 -0.01 0.49 0.00 0.00 0.00 0.00 19.45 20.26 1jh4 n ALA 81 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jh4 h LYS 82 N 0.00 0.00 0.00 0.00 1.79 -1.77 -3.24 116.57 113.36 1jh4 h LYS 82 Ca -0.09 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.28 1jh4 h LYS 82 Cb 0.90 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.54 1jh4 h LYS 82 CO 0.00 0.00 -0.59 1.49 -1.08 0.00 0.00 179.45 179.28 1jh4 h GLU 83 N 0.00 0.00 -6.32 3.15 4.22 -1.80 -3.45 114.58 110.38 1jh4 h GLU 83 Ca 0.00 0.00 -0.55 0.00 0.08 0.00 0.00 59.36 58.89 1jh4 h GLU 83 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1jh4 h GLU 83 CO 0.00 0.81 0.69 0.00 -2.18 0.00 0.00 179.01 178.34 1jh4 s ALA 84 N -2.36 3.49 0.02 2.92 0.00 -1.22 -5.01 121.76 119.59 1jh4 s ALA 84 Ca -0.21 0.62 -0.26 0.00 0.00 0.00 0.00 51.96 52.12 1jh4 s ALA 84 Cb 0.02 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1jh4 s ALA 84 CO 0.54 -0.75 0.80 0.00 0.00 0.00 0.00 175.76 176.36 1jh4 s ALA 85 N 2.17 3.32 0.96 0.00 0.00 -1.26 -4.91 121.76 122.04 1jh4 s ALA 85 Ca 0.56 0.31 -0.08 0.00 0.00 0.00 0.00 51.96 52.75 1jh4 s ALA 85 Cb -0.25 -3.07 0.12 0.00 0.00 0.00 0.00 23.12 19.92 1jh4 s ALA 85 CO 0.22 -0.03 0.70 0.94 0.00 0.00 0.00 175.76 177.59 1jh4 n GLN 86 N 3.22 -0.62 -2.79 0.00 -0.06 -1.26 -4.97 117.38 110.90 1jh4 n GLN 86 Ca -0.00 -1.13 -0.43 0.00 -2.00 0.00 0.00 57.00 53.44 1jh4 n GLN 86 Cb 0.50 -0.70 -0.03 0.00 -4.06 0.00 0.00 30.24 25.96 1jh4 n GLN 86 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 1jh4 s LYS 87 N -4.49 3.56 0.00 3.69 2.36 -1.26 -5.00 119.74 118.59 1jh4 s LYS 87 Ca 0.40 -1.45 0.00 0.00 -2.55 0.00 0.00 55.97 52.37 1jh4 s LYS 87 Cb -0.01 -5.01 0.00 0.00 -1.05 0.00 0.00 37.83 31.76 1jh4 s LYS 87 CO 0.28 -1.93 0.00 0.00 1.55 0.00 0.00 175.35 175.25 1jh4 n ALA 88 N 7.48 0.00 -0.05 3.13 0.00 -1.26 -5.07 120.51 124.74 1jh4 n ALA 88 Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.63 1jh4 n ALA 88 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 1jh4 n ALA 88 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1jh4 n VAL 89 N -1.17 1.02 -3.50 0.00 0.24 -1.26 -4.83 118.33 108.82 1jh4 n VAL 89 Ca 0.00 0.25 -0.41 0.00 -2.04 0.00 0.00 64.34 62.15 1jh4 n VAL 89 Cb 0.00 -2.03 -0.04 0.00 -1.47 0.00 0.00 33.84 30.30 1jh4 n VAL 89 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1jh4 s ASN 90 N -5.35 6.44 -1.56 -1.34 3.84 -1.26 -4.95 114.94 110.76 1jh4 s ASN 90 Ca -0.18 -3.40 -0.09 0.00 0.21 0.00 0.00 52.86 49.39 1jh4 s ASN 90 Cb 0.03 -2.05 -0.04 0.00 -0.55 0.00 0.00 41.25 38.64 1jh4 s ASN 90 CO 0.27 -0.30 2.79 -0.24 -2.79 0.00 0.00 177.10 176.83 1jh4 n SER 91 N 2.87 8.22 0.08 -4.21 2.88 -1.26 -4.69 113.62 117.51 1jh4 n SER 91 Ca 0.19 -2.70 -0.03 0.00 -1.33 0.00 0.00 58.87 55.00 1jh4 n SER 91 Cb 0.39 -1.53 -0.02 0.00 -0.75 0.00 0.00 64.21 62.31 1jh4 n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jh4 h ALA 92 N 5.02 -0.84 -2.64 -1.46 0.00 -1.95 -3.41 119.26 113.97 1jh4 h ALA 92 Ca 0.82 -0.05 -0.64 0.00 0.00 0.00 0.00 54.91 55.03 1jh4 h ALA 92 Cb 0.32 0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.04 1jh4 h ALA 92 CO 1.74 -0.83 -0.24 0.99 0.00 0.00 0.00 179.25 180.92 1jh4 s THR 93 N -3.07 5.15 -1.45 0.00 2.01 -1.26 -4.93 115.64 112.09 1jh4 s THR 93 Ca -0.03 0.32 0.24 0.00 0.31 0.00 0.00 61.69 62.53 1jh4 s THR 93 Cb 0.00 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.74 1jh4 s THR 93 CO 0.10 0.01 1.24 0.61 -0.69 0.00 0.00 174.62 175.89 1jh4 n GLY 94 N 4.82 -0.70 0.07 4.40 0.00 -1.26 -4.38 105.19 108.13 1jh4 n GLY 94 Ca -0.08 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 0.91 1.53 -3.03 1.61 2.07 -1.99 -3.47 116.25 113.89 1jh4 h VAL 95 Ca 0.00 -1.95 -0.32 0.00 0.82 0.00 0.00 66.70 65.25 1jh4 h VAL 95 Cb 0.57 2.80 0.16 0.00 -1.52 0.00 0.00 31.29 33.29 1jh4 h VAL 95 CO 0.00 0.48 0.10 -0.81 0.02 0.00 0.00 177.57 177.37 1jh4 n PRO 96 N -4.69 -2.66 -2.77 1.57 -0.04 -1.26 -4.96 135.00 120.19 1jh4 n PRO 96 Ca -0.09 -1.42 -0.38 0.00 -0.04 0.00 0.00 63.50 61.57 1jh4 n PRO 96 Cb 0.39 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -4.36 5.30 0.49 0.52 -2.24 -1.26 -5.08 114.28 107.64 1jh4 n THR 97 Ca 0.12 -5.88 0.06 0.00 -2.27 0.00 0.00 64.05 56.08 1jh4 n THR 97 Cb 0.47 -1.59 0.05 0.00 -2.10 0.00 0.00 70.33 67.16 1jh4 n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02