#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 2.80 0.85 1.61 0.04 -1.26 -4.98 135.00 134.06 1jh4 s PRO 2 Ca 0.00 0.74 -0.12 0.00 0.04 0.00 0.00 61.00 61.66 1jh4 s PRO 2 Cb 0.00 -4.33 0.10 0.00 0.04 0.00 0.00 34.50 30.31 1jh4 s PRO 2 CO 0.00 -2.52 1.14 -0.48 0.04 0.00 0.00 177.00 175.19 1jh4 s LEU 3 N 8.45 2.30 -0.59 -3.56 2.34 -1.26 -4.97 118.68 121.39 1jh4 s LEU 3 Ca 0.68 0.97 -0.28 0.00 0.06 0.00 0.00 54.13 55.56 1jh4 s LEU 3 Cb -0.14 -3.41 0.03 0.00 -0.56 0.00 0.00 46.19 42.10 1jh4 s LEU 3 CO 0.23 -2.20 1.19 -0.83 -1.06 0.00 0.00 176.35 173.68 1jh4 s GLY 4 N -4.20 1.13 -0.15 -3.48 0.00 -1.26 -4.86 107.32 94.50 1jh4 s GLY 4 Ca 0.62 -0.87 -0.16 0.00 0.00 0.00 0.00 44.72 44.32 1jh4 s GLY 4 CO 0.52 2.50 -0.30 -1.14 0.00 0.00 0.00 173.10 174.67 1jh4 n SER 5 N 8.45 1.74 -4.52 1.64 3.41 -1.26 -4.85 113.62 118.23 1jh4 n SER 5 Ca 0.08 0.29 -0.15 0.00 -0.26 0.00 0.00 58.87 58.83 1jh4 n SER 5 Cb 0.49 -0.70 -0.11 0.00 -0.26 0.00 0.00 64.21 63.62 1jh4 n SER 5 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1jh4 n PRO 6 N -4.25 0.35 -2.69 4.33 -0.02 -1.26 -4.89 135.00 126.56 1jh4 n PRO 6 Ca -0.12 -0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 60.29 1jh4 n PRO 6 Cb 0.45 -2.89 -0.05 0.00 -0.02 0.00 0.00 33.50 30.99 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 10.54 4.56 -0.04 2.45 2.01 -1.26 -4.97 118.68 131.97 1jh4 s LEU 7 Ca 0.99 1.92 -0.03 0.00 0.01 0.00 0.00 54.13 57.02 1jh4 s LEU 7 Cb -0.31 -3.60 -0.27 0.00 0.01 0.00 0.00 46.19 42.01 1jh4 s LEU 7 CO 0.22 -0.01 0.69 0.71 1.01 0.00 0.00 176.35 178.97 1jh4 h THR 8 N 3.61 0.96 0.10 5.49 1.35 -1.98 -2.99 112.91 119.44 1jh4 h THR 8 Ca -0.44 -2.64 -0.00 0.00 -0.55 0.00 0.00 66.41 62.78 1jh4 h THR 8 Cb 1.21 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 70.29 1jh4 h THR 8 CO 0.70 0.80 -0.05 0.00 -0.25 0.00 0.00 175.52 176.72 1jh4 h ALA 9 N 0.40 -1.00 -0.18 6.62 0.00 -2.01 -2.69 119.26 120.40 1jh4 h ALA 9 Ca -0.31 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1jh4 h ALA 9 Cb 2.04 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.91 1jh4 h ALA 9 CO 0.14 -0.99 0.21 1.03 0.00 0.00 0.00 179.25 179.64 1jh4 h SER 10 N -0.13 0.00 -0.66 0.00 0.87 -1.99 -0.98 113.55 110.67 1jh4 h SER 10 Ca -0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1jh4 h SER 10 Cb 0.10 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 1jh4 h SER 10 CO 0.02 0.00 0.25 0.00 -0.53 0.00 0.00 176.83 176.57 1jh4 h MET 11 N 0.00 0.99 0.33 2.24 -0.00 -1.35 -0.65 114.93 116.48 1jh4 h MET 11 Ca 0.09 -0.19 -0.00 0.00 -0.00 0.00 0.00 59.70 59.60 1jh4 h MET 11 Cb 0.51 -0.16 -0.02 0.00 -0.00 0.00 0.00 31.60 31.93 1jh4 h MET 11 CO -0.00 0.84 -0.31 1.25 -0.00 0.00 0.00 176.91 178.68 1jh4 h LEU 12 N 0.93 -0.84 0.00 -0.10 7.12 -0.84 0.39 115.31 121.96 1jh4 h LEU 12 Ca 0.22 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.30 1jh4 h LEU 12 Cb 0.22 0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 1jh4 h LEU 12 CO -0.02 -0.45 0.00 0.00 -0.13 0.00 0.00 178.44 177.85 1jh4 n ALA 13 N -2.60 2.12 0.30 1.25 0.00 -1.12 -2.20 120.51 118.27 1jh4 n ALA 13 Ca -0.09 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.40 1jh4 n ALA 13 Cb 0.33 -1.16 0.21 0.00 0.00 0.00 0.00 19.45 18.83 1jh4 n ALA 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jh4 n SER 14 N -0.78 3.48 -4.06 0.00 7.64 0.12 -4.93 113.62 115.09 1jh4 n SER 14 Ca 0.08 -2.00 -0.14 0.00 1.01 0.00 0.00 58.87 57.82 1jh4 n SER 14 Cb 0.03 -0.25 -0.12 0.00 -1.01 0.00 0.00 64.21 62.87 1jh4 n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jh4 s ALA 15 N -1.49 0.64 0.78 -0.43 0.00 -0.93 -5.04 121.76 115.30 1jh4 s ALA 15 Ca 0.39 -0.71 -0.12 0.00 0.00 0.00 0.00 51.96 51.52 1jh4 s ALA 15 Cb 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1jh4 s ALA 15 CO 0.32 0.03 -0.38 -2.30 0.00 0.00 0.00 175.76 173.43 1jh4 n PRO 16 N 1.69 -0.56 0.00 0.00 -0.01 -1.26 -4.62 135.00 130.24 1jh4 n PRO 16 Ca -0.21 -0.17 0.00 0.00 -0.01 0.00 0.00 63.50 63.12 1jh4 n PRO 16 Cb 0.55 -1.14 0.00 0.00 -0.01 0.00 0.00 33.50 32.90 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 1.13 0.00 0.15 0.52 -0.02 -1.26 -1.93 135.00 133.59 1jh4 n PRO 17 Ca 0.01 0.52 0.11 0.00 -2.02 0.00 0.00 63.50 62.12 1jh4 n PRO 17 Cb 0.33 -1.24 0.56 0.00 -0.02 0.00 0.00 33.50 33.12 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 -1.64 0.15 -0.82 -0.52 -0.00 -1.26 -2.28 117.38 111.01 1jh4 n GLN 18 Ca 0.00 0.58 -0.14 0.00 -0.00 0.00 0.00 57.00 57.44 1jh4 n GLN 18 Cb 0.00 -1.93 0.04 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 -2.24 1.70 0.00 2.61 1.02 -0.81 -4.56 120.64 118.36 1jh4 n GLU 19 Ca -0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 57.16 55.74 1jh4 n GLU 19 Cb 0.09 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 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 0.39 0.00 0.00 3.49 10.64 -0.97 -4.14 117.38 126.79 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 0.62 -0.39 0.00 0.00 -0.86 0.00 0.00 30.24 29.61 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 -0.16 0.95 0.12 2.61 4.76 -1.26 -4.17 118.16 121.01 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 -1.37 -0.08 0.00 -1.84 0.00 0.00 35.03 31.74 1jh4 n LYS 21 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 1jh4 h GLN 22 N 0.04 -0.31 0.00 1.97 -0.00 -1.75 -3.19 115.11 111.87 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 0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.92 1jh4 h GLN 22 CO 0.00 0.02 0.00 -1.33 -0.00 0.00 0.00 178.83 177.52 1jh4 n MET 23 N -5.08 0.00 -0.20 0.06 2.81 -1.26 -3.65 117.12 109.80 1jh4 n MET 23 Ca -0.09 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.75 1jh4 n MET 23 Cb 0.25 -0.36 -0.01 0.00 -0.71 0.00 0.00 33.22 32.39 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 1.28 0.00 4.03 -0.00 -1.26 -4.89 117.00 116.17 1jh4 n LEU 24 Ca 0.00 -1.40 0.00 0.00 -0.00 0.00 0.00 56.01 54.61 1jh4 n LEU 24 Cb 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 43.42 42.85 1jh4 n LEU 24 CO 0.00 -0.58 0.00 0.61 -0.00 0.00 0.00 177.39 177.42 1jh4 n GLY 25 N 3.69 0.65 0.00 1.47 0.00 -1.20 -4.07 105.19 105.73 1jh4 n GLY 25 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 6.65 0.00 -0.08 1.61 0.00 -1.26 -4.30 120.64 123.26 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 -0.37 0.00 0.00 0.00 0.00 0.00 31.44 31.07 1jh4 n GLU 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1jh4 n ARG 27 N -0.22 0.00 -0.02 3.44 3.00 -1.26 -4.89 116.66 116.70 1jh4 n ARG 27 Ca 0.00 -0.57 -0.15 0.00 -0.00 0.00 0.00 57.85 57.13 1jh4 n ARG 27 Cb 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 32.46 31.87 1jh4 n ARG 27 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1jh4 h LEU 28 N 0.00 0.37 -0.64 6.15 3.38 -1.90 -3.21 115.31 119.46 1jh4 h LEU 28 Ca 0.00 -0.70 0.13 0.00 0.09 0.00 0.00 57.88 57.41 1jh4 h LEU 28 Cb 1.06 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.58 1jh4 h LEU 28 CO 0.00 1.01 -0.13 0.15 0.09 0.00 0.00 178.44 179.56 1jh4 h PHE 29 N -0.24 -0.28 -0.59 1.13 3.57 -1.81 0.78 116.94 119.50 1jh4 h PHE 29 Ca -0.03 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1jh4 h PHE 29 Cb 1.02 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.95 1jh4 h PHE 29 CO 0.14 -0.26 0.34 -1.35 -2.23 0.00 0.00 178.31 174.95 1jh4 h PRO 30 N 0.02 0.63 -0.03 6.41 0.11 -1.87 1.61 132.00 138.89 1jh4 h PRO 30 Ca 0.32 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 1jh4 h PRO 30 Cb 0.49 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1jh4 h PRO 30 CO -0.64 0.42 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.44 1jh4 h LEU 31 N 0.65 0.10 -0.38 2.35 3.38 -1.08 -3.06 115.31 117.27 1jh4 h LEU 31 Ca 0.25 -0.59 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 1jh4 h LEU 31 Cb 0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1jh4 h LEU 31 CO -0.13 0.67 -0.10 -0.29 0.09 0.00 0.00 178.44 178.68 1jh4 h ILE 32 N -0.47 1.28 -0.94 1.22 -0.00 0.60 -2.66 117.51 116.53 1jh4 h ILE 32 Ca -0.00 -1.18 0.29 0.00 -0.00 0.00 0.00 64.86 63.97 1jh4 h ILE 32 Cb 0.65 1.26 -0.16 0.00 -0.00 0.00 0.00 36.82 38.58 1jh4 h ILE 32 CO 0.01 0.39 0.33 -0.61 -0.00 0.00 0.00 178.15 178.27 1jh4 h GLN 33 N 0.53 0.17 -0.58 2.19 4.15 0.23 2.19 115.11 124.00 1jh4 h GLN 33 Ca 0.09 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.57 1jh4 h GLN 33 Cb 0.61 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.23 1jh4 h GLN 33 CO 0.04 0.11 0.38 0.00 -1.93 0.00 0.00 178.83 177.43 1jh4 h ALA 34 N 1.86 1.88 0.00 3.38 0.00 -1.36 -3.22 119.26 121.80 1jh4 h ALA 34 Ca 0.65 -0.02 -0.39 0.00 0.00 0.00 0.00 54.91 55.15 1jh4 h ALA 34 Cb 1.43 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1jh4 h ALA 34 CO -0.70 0.01 -2.22 -1.33 0.00 0.00 0.00 179.25 175.01 1jh4 n MET 35 N -4.47 0.58 -3.56 0.00 2.81 0.44 -5.03 117.12 107.88 1jh4 n MET 35 Ca 0.08 0.30 -0.20 0.00 -1.81 0.00 0.00 57.70 56.08 1jh4 n MET 35 Cb 0.27 -1.52 0.06 0.00 -0.71 0.00 0.00 33.22 31.31 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 -4.30 -2.06 0.00 2.03 8.25 0.64 -4.96 115.22 114.82 1jh4 n HIS 36 Ca -0.48 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 1jh4 n HIS 36 Cb 0.82 -4.59 0.00 0.00 1.12 0.00 0.00 29.99 27.34 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 -4.13 0.00 -0.08 -0.41 -0.04 -1.26 -4.72 135.00 124.36 1jh4 n PRO 37 Ca -0.27 0.32 -0.08 0.00 -0.04 0.00 0.00 63.50 63.43 1jh4 n PRO 37 Cb 0.67 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.46 1.45 -3.15 0.52 -2.24 -1.26 -5.03 114.28 103.11 1jh4 n THR 38 Ca 0.00 0.17 0.05 0.00 -2.27 0.00 0.00 64.05 61.99 1jh4 n THR 38 Cb 0.00 -2.35 -0.01 0.00 -2.10 0.00 0.00 70.33 65.87 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 -7.94 -0.88 0.19 3.22 1.43 -1.26 -5.05 118.68 108.39 1jh4 s LEU 39 Ca -0.25 0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 53.18 1jh4 s LEU 39 Cb 0.03 1.71 0.18 0.00 0.03 0.00 0.00 46.19 48.14 1jh4 s LEU 39 CO 0.37 -0.16 1.66 0.00 0.23 0.00 0.00 176.35 178.44 1jh4 h ALA 40 N 7.94 0.39 0.53 4.21 0.00 -1.91 1.09 119.26 131.51 1jh4 h ALA 40 Ca -0.16 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1jh4 h ALA 40 Cb 1.17 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1jh4 h ALA 40 CO 0.05 -0.42 -0.45 0.78 0.00 0.00 0.00 179.25 179.20 1jh4 h GLY 41 N 0.04 -1.14 1.24 0.00 0.00 -1.97 -2.34 103.07 98.90 1jh4 h GLY 41 Ca 0.25 0.52 -0.17 0.00 0.00 0.00 0.00 47.33 47.93 1jh4 h GLY 41 CO -0.50 -0.37 -0.51 0.50 0.00 0.00 0.00 176.54 175.67 1jh4 h LYS 42 N -0.97 0.80 -0.98 4.80 1.57 -1.93 -3.19 116.57 116.67 1jh4 h LYS 42 Ca -0.06 -0.49 0.16 0.00 -1.87 0.00 0.00 60.65 58.39 1jh4 h LYS 42 Cb 0.83 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.10 1jh4 h LYS 42 CO -0.02 1.12 0.61 0.97 -0.57 0.00 0.00 179.45 181.56 1jh4 h ILE 43 N 0.63 0.80 -0.44 1.86 2.10 0.13 -1.98 117.51 120.62 1jh4 h ILE 43 Ca 0.02 -0.28 -0.01 0.00 1.08 0.00 0.00 64.86 65.68 1jh4 h ILE 43 Cb 1.10 -0.08 -0.02 0.00 -1.09 0.00 0.00 36.82 36.73 1jh4 h ILE 43 CO 0.11 0.15 0.24 0.74 -1.08 0.00 0.00 178.15 178.31 1jh4 h THR 44 N 0.81 1.16 -0.46 2.19 2.02 -1.40 -2.07 112.91 115.15 1jh4 h THR 44 Ca 0.52 -0.40 0.09 0.00 0.77 0.00 0.00 66.41 67.39 1jh4 h THR 44 Cb 0.74 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1jh4 h THR 44 CO -0.29 0.17 0.32 1.23 0.37 0.00 0.00 175.52 177.31 1jh4 h GLY 45 N 0.57 0.31 0.34 2.16 0.00 -1.45 0.12 103.07 105.12 1jh4 h GLY 45 Ca 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1jh4 h GLY 45 CO -0.02 0.06 -0.16 -0.33 0.00 0.00 0.00 176.54 176.08 1jh4 h MET 46 N 0.23 -0.43 -0.02 4.80 2.07 -1.32 -3.20 114.93 117.05 1jh4 h MET 46 Ca 0.21 0.03 0.01 0.00 -2.07 0.00 0.00 59.70 57.88 1jh4 h MET 46 Cb 0.55 0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 30.38 1jh4 h MET 46 CO -0.04 -0.29 0.09 -0.07 1.07 0.00 0.00 176.91 177.68 1jh4 h LEU 47 N -0.89 0.00 -1.30 1.22 -0.00 -1.17 -3.01 115.31 110.17 1jh4 h LEU 47 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1jh4 h LEU 47 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1jh4 h LEU 47 CO 0.08 0.00 0.00 -0.11 -0.00 0.00 0.00 178.44 178.41 1jh4 n LEU 48 N -3.20 0.00 0.05 1.67 7.94 0.39 -3.15 117.00 120.69 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 0.17 0.00 0.45 0.00 0.53 0.00 0.00 43.42 44.57 1jh4 n LEU 48 CO 0.20 0.00 0.85 1.21 -1.11 0.00 0.00 177.39 178.54 1jh4 n GLU 49 N 0.60 0.09 -3.72 1.96 2.13 -1.14 -4.80 120.64 115.75 1jh4 n GLU 49 Ca 0.00 0.21 -0.22 0.00 0.66 0.00 0.00 57.16 57.81 1jh4 n GLU 49 Cb 0.00 -1.63 -0.04 0.00 0.27 0.00 0.00 31.44 30.04 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 -3.08 2.47 0.48 6.31 1.10 -1.19 -5.12 121.20 122.17 1jh4 s ILE 50 Ca 0.09 -1.44 -0.21 0.00 -0.51 0.00 0.00 60.65 58.59 1jh4 s ILE 50 Cb 0.13 -2.91 -0.08 0.00 0.15 0.00 0.00 42.46 39.74 1jh4 s ILE 50 CO 0.43 0.00 1.05 -1.81 -2.11 0.00 0.00 174.94 172.49 1jh4 s ASP 51 N -4.10 6.35 0.59 4.50 1.01 -1.26 -4.91 116.67 118.86 1jh4 s ASP 51 Ca 0.45 1.96 0.29 0.00 0.71 0.00 0.00 52.55 55.96 1jh4 s ASP 51 Cb -0.01 -2.56 1.36 0.00 1.01 0.00 0.00 42.92 42.71 1jh4 s ASP 51 CO 0.26 -0.78 1.75 -1.13 0.21 0.00 0.00 175.17 175.49 1jh4 h ASN 52 N 1.65 0.00 0.24 0.27 -0.73 -2.00 0.28 115.58 115.29 1jh4 h ASN 52 Ca -0.49 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 57.59 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 0.59 0.00 -0.33 0.28 -0.37 0.00 0.00 177.43 177.61 1jh4 h SER 53 N 0.00 0.14 -0.03 1.15 0.02 -2.01 -2.97 113.55 109.86 1jh4 h SER 53 Ca 0.30 -0.05 -0.25 0.00 -0.84 0.00 0.00 61.79 60.95 1jh4 h SER 53 Cb 1.66 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 64.18 1jh4 h SER 53 CO -0.00 0.47 -0.97 -0.08 -1.14 0.00 0.00 176.83 175.10 1jh4 h GLU 54 N 0.13 0.71 -0.02 3.45 4.22 -0.81 -3.13 114.58 119.13 1jh4 h GLU 54 Ca 0.02 -0.72 -0.01 0.00 0.08 0.00 0.00 59.36 58.73 1jh4 h GLU 54 Cb 0.65 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1jh4 h GLU 54 CO 0.05 1.31 -0.02 -0.07 -2.18 0.00 0.00 179.01 178.10 1jh4 h LEU 55 N 0.39 0.02 -0.57 1.64 4.07 -1.51 -0.54 115.31 118.82 1jh4 h LEU 55 Ca -0.11 -0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.72 1jh4 h LEU 55 Cb 1.63 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 43.35 1jh4 h LEU 55 CO 0.19 0.05 -0.19 -0.07 -1.08 0.00 0.00 178.44 177.34 1jh4 h LEU 56 N 0.03 0.96 -0.12 1.67 3.38 -1.49 -2.09 115.31 117.65 1jh4 h LEU 56 Ca 0.01 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1jh4 h LEU 56 Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1jh4 h LEU 56 CO 0.00 1.12 0.06 0.45 0.09 0.00 0.00 178.44 180.16 1jh4 h HIS 57 N 0.83 0.17 -0.70 1.13 3.86 -1.07 -2.88 115.15 116.50 1jh4 h HIS 57 Ca 0.11 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1jh4 h HIS 57 Cb 0.75 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.13 1jh4 h HIS 57 CO 0.05 0.23 0.27 0.00 0.86 0.00 0.00 177.93 179.34 1jh4 h MET 58 N 0.06 1.03 0.00 2.45 -0.00 -1.33 -1.18 114.93 115.96 1jh4 h MET 58 Ca 0.04 -0.18 -0.00 0.00 -0.00 0.00 0.00 59.70 59.56 1jh4 h MET 58 Cb 0.13 -0.17 -0.00 0.00 -0.00 0.00 0.00 31.60 31.56 1jh4 h MET 58 CO -0.00 0.84 -0.00 1.25 -0.00 0.00 0.00 176.91 179.00 1jh4 h LEU 59 N 1.01 0.00 -1.54 -0.10 6.46 -1.21 -0.18 115.31 119.75 1jh4 h LEU 59 Ca 0.23 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 1jh4 h LEU 59 Cb 0.20 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1jh4 h LEU 59 CO -0.02 0.00 -0.15 -0.62 -0.62 0.00 0.00 178.44 177.03 1jh4 n GLU 60 N -3.99 1.79 -3.44 1.25 1.02 -0.77 -4.77 120.64 111.73 1jh4 n GLU 60 Ca -0.03 -1.50 -0.24 0.00 -0.02 0.00 0.00 57.16 55.37 1jh4 n GLU 60 Cb 0.09 -1.41 -0.11 0.00 -0.02 0.00 0.00 31.44 29.98 1jh4 n GLU 60 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1jh4 s SER 61 N -1.97 2.40 0.53 1.62 0.01 -0.08 -5.00 113.70 111.20 1jh4 s SER 61 Ca 0.22 -1.66 0.31 0.00 1.31 0.00 0.00 55.95 56.14 1jh4 s SER 61 Cb 0.17 -0.00 1.46 0.00 0.21 0.00 0.00 66.02 67.87 1jh4 s SER 61 CO 0.36 -0.33 1.87 -0.65 0.41 0.00 0.00 173.24 174.90 1jh4 h PRO 62 N 7.46 0.03 0.18 12.44 0.11 -1.86 -0.63 132.00 149.72 1jh4 h PRO 62 Ca -0.02 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.10 1jh4 h PRO 62 Cb 1.02 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1jh4 h PRO 62 CO 0.29 0.02 -0.27 1.05 -0.21 0.00 0.00 178.00 178.88 1jh4 h GLU 63 N 0.03 -0.49 0.00 1.05 4.11 -1.95 0.95 114.58 118.29 1jh4 h GLU 63 Ca 0.45 0.03 -0.18 0.00 0.07 0.00 0.00 59.36 59.73 1jh4 h GLU 63 Cb 1.75 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 31.09 1jh4 h GLU 63 CO -0.02 -0.33 -0.86 0.77 0.07 0.00 0.00 179.01 178.64 1jh4 h SER 64 N -0.51 0.03 0.27 3.06 0.02 -1.70 -3.06 113.55 111.66 1jh4 h SER 64 Ca 0.02 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1jh4 h SER 64 Cb 0.51 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1jh4 h SER 64 CO -0.12 0.87 -0.19 0.25 -1.14 0.00 0.00 176.83 176.51 1jh4 h LEU 65 N 0.01 -0.48 -1.84 5.07 6.46 -0.79 -2.52 115.31 121.22 1jh4 h LEU 65 Ca -0.01 0.03 0.12 0.00 -0.12 0.00 0.00 57.88 57.90 1jh4 h LEU 65 Cb 1.51 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 41.56 1jh4 h LEU 65 CO 0.11 -0.28 0.36 -0.09 -0.62 0.00 0.00 178.44 177.93 1jh4 h ARG 66 N -0.44 0.17 -0.49 1.25 2.43 -0.93 -1.50 114.38 114.86 1jh4 h ARG 66 Ca -0.04 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.19 1jh4 h ARG 66 Cb 0.36 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 1jh4 h ARG 66 CO 0.02 0.11 0.16 0.77 -1.51 0.00 0.00 179.97 179.53 1jh4 h SER 67 N 0.18 0.14 0.00 -3.80 0.02 -1.37 0.58 113.55 109.30 1jh4 h SER 67 Ca 0.25 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1jh4 h SER 67 Cb 0.74 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1jh4 h SER 67 CO -0.04 0.11 -0.00 0.11 -1.14 0.00 0.00 176.83 175.87 1jh4 h LYS 68 N 0.33 -0.00 -0.28 3.45 1.79 -0.88 -3.19 116.57 117.78 1jh4 h LYS 68 Ca 0.24 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.74 1jh4 h LYS 68 Cb 0.27 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 1jh4 h LYS 68 CO -0.26 0.78 0.09 0.28 -1.08 0.00 0.00 179.45 179.26 1jh4 h VAL 69 N -0.79 0.91 -0.42 0.50 2.07 -1.28 -2.38 116.25 114.86 1jh4 h VAL 69 Ca -0.00 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.52 1jh4 h VAL 69 Cb 0.78 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 31.15 1jh4 h VAL 69 CO 0.00 0.04 -0.39 0.44 0.02 0.00 0.00 177.57 177.67 1jh4 h ASP 70 N 0.21 -1.32 -0.59 0.57 5.19 0.05 0.16 116.42 120.69 1jh4 h ASP 70 Ca 0.13 0.21 0.12 0.00 -0.62 0.00 0.00 57.03 56.87 1jh4 h ASP 70 Cb 0.10 0.59 -0.11 0.00 0.18 0.00 0.00 39.33 40.09 1jh4 h ASP 70 CO -0.14 -0.35 -0.12 -0.33 -3.12 0.00 0.00 179.24 175.18 1jh4 h GLU 71 N -0.30 0.02 -0.63 3.56 3.07 -1.46 -1.11 114.58 117.73 1jh4 h GLU 71 Ca 0.15 -0.00 0.11 0.00 -0.50 0.00 0.00 59.36 59.12 1jh4 h GLU 71 Cb 0.57 -0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.36 1jh4 h GLU 71 CO -0.57 0.01 -0.37 0.00 -1.40 0.00 0.00 179.01 176.68 1jh4 h ALA 72 N 1.58 -0.10 -0.90 3.43 0.00 -0.47 0.39 119.26 123.19 1jh4 h ALA 72 Ca 0.29 0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.52 1jh4 h ALA 72 Cb 0.45 0.86 -0.10 0.00 0.00 0.00 0.00 17.79 19.00 1jh4 h ALA 72 CO -0.59 -0.71 0.49 0.28 0.00 0.00 0.00 179.25 178.72 1jh4 h VAL 73 N -0.16 0.72 0.25 0.00 2.07 -0.78 1.54 116.25 119.89 1jh4 h VAL 73 Ca 0.23 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1jh4 h VAL 73 Cb 0.56 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1jh4 h VAL 73 CO -0.72 0.12 -0.12 0.00 0.02 0.00 0.00 177.57 176.88 1jh4 h ALA 74 N 1.58 -0.33 0.40 1.67 0.00 -0.41 -2.86 119.26 119.31 1jh4 h ALA 74 Ca 0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1jh4 h ALA 74 Cb 0.72 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1jh4 h ALA 74 CO -0.37 -0.40 -0.19 -0.24 0.00 0.00 0.00 179.25 178.04 1jh4 h VAL 75 N -0.90 0.00 -0.03 0.00 3.04 0.06 -2.97 116.25 115.45 1jh4 h VAL 75 Ca -0.03 -0.32 0.03 0.00 -1.01 0.00 0.00 66.70 65.37 1jh4 h VAL 75 Cb 0.50 0.00 -0.06 0.00 -2.01 0.00 0.00 31.29 29.73 1jh4 h VAL 75 CO 0.06 0.00 -0.42 0.25 -1.01 0.00 0.00 177.57 176.45 1jh4 h LEU 76 N -0.86 -1.27 -1.88 3.16 5.85 0.20 1.36 115.31 121.87 1jh4 h LEU 76 Ca -0.05 0.16 0.25 0.00 0.84 0.00 0.00 57.88 59.07 1jh4 h LEU 76 Cb 0.41 0.50 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 1jh4 h LEU 76 CO 0.09 -0.45 0.64 -0.61 -0.34 0.00 0.00 178.44 177.77 1jh4 h GLN 77 N -0.55 0.09 0.00 1.25 -0.00 -1.39 1.33 115.11 115.84 1jh4 h GLN 77 Ca 0.05 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.67 1jh4 h GLN 77 Cb 0.64 -0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.10 1jh4 h GLN 77 CO -0.33 0.06 -0.16 0.00 0.00 0.00 0.00 178.83 178.40 1jh4 h ALA 78 N 1.57 0.03 0.00 3.38 0.00 -0.63 -3.31 119.26 120.29 1jh4 h ALA 78 Ca 0.44 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jh4 h ALA 78 Cb 1.61 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1jh4 h ALA 78 CO -0.05 0.09 0.00 0.72 0.00 0.00 0.00 179.25 180.01 1jh4 n HIS 79 N -4.61 0.04 0.20 0.00 8.25 0.44 -3.51 115.22 116.03 1jh4 n HIS 79 Ca -0.12 0.02 -0.08 0.00 -0.26 0.00 0.00 57.72 57.28 1jh4 n HIS 79 Cb 0.45 -0.52 -0.04 0.00 1.12 0.00 0.00 29.99 31.00 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 -0.51 -2.91 -0.41 4.15 0.16 -3.50 115.11 112.09 1jh4 h GLN 80 Ca 0.00 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1jh4 h GLN 80 Cb 0.25 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1jh4 h GLN 80 CO 0.00 -0.34 -0.74 0.00 -1.93 0.00 0.00 178.83 175.82 1jh4 n ALA 81 N -2.43 -1.69 -1.30 3.38 0.00 -1.23 -4.91 120.51 112.33 1jh4 n ALA 81 Ca -0.07 0.37 -0.32 0.00 0.00 0.00 0.00 53.44 53.42 1jh4 n ALA 81 Cb 0.21 -1.24 0.08 0.00 0.00 0.00 0.00 19.45 18.50 1jh4 n ALA 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1jh4 s LYS 82 N -4.81 2.31 -0.57 0.00 -2.85 -1.26 -4.91 119.74 107.64 1jh4 s LYS 82 Ca 0.00 1.35 -0.05 0.00 -1.00 0.00 0.00 55.97 56.27 1jh4 s LYS 82 Cb 0.00 -1.89 0.01 0.00 -2.06 0.00 0.00 37.83 33.89 1jh4 s LYS 82 CO 0.00 -1.63 2.87 0.39 0.10 0.00 0.00 175.35 177.08 1jh4 n GLU 83 N -3.11 2.77 0.37 1.78 1.02 -1.26 -4.65 120.64 117.56 1jh4 n GLU 83 Ca 0.10 -2.30 -0.17 0.00 -0.02 0.00 0.00 57.16 54.77 1jh4 n GLU 83 Cb 0.52 -2.23 -0.09 0.00 -0.02 0.00 0.00 31.44 29.62 1jh4 n GLU 83 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jh4 h ALA 84 N 3.36 -0.92 -2.32 0.62 0.00 -2.01 -3.41 119.26 114.58 1jh4 h ALA 84 Ca 0.43 -0.21 -0.54 0.00 0.00 0.00 0.00 54.91 54.59 1jh4 h ALA 84 Cb 0.77 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1jh4 h ALA 84 CO 0.91 -0.98 1.12 0.00 0.00 0.00 0.00 179.25 180.29 1jh4 s ALA 85 N -5.77 3.62 1.00 0.00 0.00 -1.26 -4.99 121.76 114.35 1jh4 s ALA 85 Ca -0.17 1.09 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1jh4 s ALA 85 Cb 0.03 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1jh4 s ALA 85 CO 0.58 -1.41 0.00 0.00 0.00 0.00 0.00 175.76 174.93 1jh4 n GLN 86 N 7.04 -0.30 -0.98 0.00 10.64 -1.26 -4.89 117.38 127.62 1jh4 n GLN 86 Ca 0.18 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 55.18 1jh4 n GLN 86 Cb 0.42 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.80 1jh4 n GLN 86 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1jh4 n LYS 87 N -1.05 1.86 -2.77 2.61 3.00 -1.26 -4.86 118.16 115.68 1jh4 n LYS 87 Ca 0.00 -1.54 -0.43 0.00 -0.00 0.00 0.00 58.31 56.35 1jh4 n LYS 87 Cb 0.00 -1.68 -0.03 0.00 0.00 0.00 0.00 35.03 33.31 1jh4 n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jh4 s ALA 88 N -1.45 3.05 -0.54 3.14 0.00 -1.26 -4.90 121.76 119.80 1jh4 s ALA 88 Ca 0.36 -2.15 -0.06 0.00 0.00 0.00 0.00 51.96 50.11 1jh4 s ALA 88 Cb 0.25 -4.12 -0.08 0.00 0.00 0.00 0.00 23.12 19.18 1jh4 s ALA 88 CO -0.05 -3.09 3.08 1.33 0.00 0.00 0.00 175.76 177.03 1jh4 n VAL 89 N 6.06 3.58 -2.55 0.00 0.24 -1.26 -4.68 118.33 119.72 1jh4 n VAL 89 Ca 0.14 -2.54 -0.39 0.00 -2.04 0.00 0.00 64.34 59.50 1jh4 n VAL 89 Cb 0.48 -1.94 0.02 0.00 -1.47 0.00 0.00 33.84 30.93 1jh4 n VAL 89 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1jh4 n ASN 90 N 1.95 7.10 -4.35 -1.34 4.13 -1.26 -4.92 115.26 116.58 1jh4 n ASN 90 Ca 0.52 -3.71 -0.43 0.00 1.68 0.00 0.00 54.58 52.64 1jh4 n ASN 90 Cb 0.61 -1.09 0.00 0.00 -1.54 0.00 0.00 39.78 37.76 1jh4 n ASN 90 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1jh4 n SER 91 N -0.16 4.96 0.17 6.41 2.88 -1.26 -4.71 113.62 121.91 1jh4 n SER 91 Ca 0.47 -2.96 0.05 0.00 -1.33 0.00 0.00 58.87 55.10 1jh4 n SER 91 Cb 0.27 -1.63 0.08 0.00 -0.75 0.00 0.00 64.21 62.18 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 6.98 0.78 -2.40 -1.46 0.00 -2.00 -3.41 119.26 117.74 1jh4 h ALA 92 Ca 0.40 -0.32 -0.74 0.00 0.00 0.00 0.00 54.91 54.26 1jh4 h ALA 92 Cb 0.81 -0.06 -0.24 0.00 0.00 0.00 0.00 17.79 18.30 1jh4 h ALA 92 CO 1.44 0.44 -0.35 0.99 0.00 0.00 0.00 179.25 181.77 1jh4 s THR 93 N -3.05 4.94 -0.04 0.00 2.01 -1.26 -4.95 115.64 113.28 1jh4 s THR 93 Ca 0.05 -1.25 -0.02 0.00 0.31 0.00 0.00 61.69 60.78 1jh4 s THR 93 Cb 0.07 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 1jh4 s THR 93 CO 0.72 -0.62 -0.03 1.23 -0.69 0.00 0.00 174.62 175.23 1jh4 h GLY 94 N 8.68 0.00 -2.40 4.40 0.00 -2.01 -3.47 103.07 108.26 1jh4 h GLY 94 Ca -0.27 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.60 1jh4 h GLY 94 CO 0.87 0.00 0.25 -1.34 0.00 0.00 0.00 176.54 176.33 1jh4 s VAL 95 N -1.30 4.48 -0.02 4.60 -7.23 -1.26 -5.01 120.40 114.67 1jh4 s VAL 95 Ca -0.03 1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 61.16 1jh4 s VAL 95 Cb 0.00 -3.62 -0.06 0.00 0.56 0.00 0.00 36.38 33.27 1jh4 s VAL 95 CO 0.04 -0.25 1.53 -2.16 -0.31 0.00 0.00 175.10 173.95 1jh4 s PRO 96 N -3.06 4.22 -1.47 4.82 0.04 -1.26 -4.90 135.00 133.40 1jh4 s PRO 96 Ca 0.59 2.09 -0.09 0.00 0.04 0.00 0.00 61.00 63.63 1jh4 s PRO 96 Cb -0.10 -3.74 -0.07 0.00 0.04 0.00 0.00 34.50 30.63 1jh4 s PRO 96 CO 0.15 -0.71 2.92 -2.37 0.04 0.00 0.00 177.00 177.03 1jh4 n THR 97 N 5.02 4.37 0.31 1.26 5.66 -1.26 -5.27 114.28 124.37 1jh4 n THR 97 Ca 0.15 -2.77 0.04 0.00 -3.05 0.00 0.00 64.05 58.42 1jh4 n THR 97 Cb 0.43 -2.49 0.03 0.00 -1.55 0.00 0.00 70.33 66.75 1jh4 n THR 97 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54