#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 0.95 -1.11 1.61 -0.04 -1.26 -5.02 135.00 130.13 1jh4 n PRO 2 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1jh4 n PRO 2 Cb 0.00 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 33.66 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 0.00 1.25 0.41 1.53 1.43 -1.26 -5.06 118.68 116.98 1jh4 s LEU 3 Ca 0.00 1.03 0.08 0.00 -1.03 0.00 0.00 54.13 54.21 1jh4 s LEU 3 Cb 0.00 -3.06 -0.00 0.00 0.03 0.00 0.00 46.19 43.16 1jh4 s LEU 3 CO 0.00 -3.50 0.48 -0.83 0.23 0.00 0.00 176.35 172.73 1jh4 s GLY 4 N -3.53 1.98 0.28 -3.19 0.00 -1.26 -5.10 107.32 96.49 1jh4 s GLY 4 Ca 0.67 -1.73 -0.23 0.00 0.00 0.00 0.00 44.72 43.44 1jh4 s GLY 4 CO 0.58 -1.56 0.84 -1.35 0.00 0.00 0.00 173.10 171.60 1jh4 s SER 5 N -4.24 7.19 0.63 1.64 1.04 -1.26 -4.93 113.70 113.76 1jh4 s SER 5 Ca 0.51 1.63 0.28 0.00 0.48 0.00 0.00 55.95 58.85 1jh4 s SER 5 Cb -0.07 -2.50 1.50 0.00 0.10 0.00 0.00 66.02 65.05 1jh4 s SER 5 CO 0.31 -0.03 1.88 -0.65 0.98 0.00 0.00 173.24 175.73 1jh4 h PRO 6 N 3.26 0.00 -5.67 4.02 0.11 -2.03 -3.39 132.00 128.29 1jh4 h PRO 6 Ca -0.47 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 64.98 1jh4 h PRO 6 Cb 1.19 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.16 1jh4 h PRO 6 CO 0.65 0.00 -0.58 -0.51 -0.21 0.00 0.00 178.00 177.35 1jh4 s LEU 7 N -6.55 3.76 0.02 2.35 2.01 -1.26 -5.00 118.68 114.01 1jh4 s LEU 7 Ca -0.04 0.16 0.11 0.00 0.01 0.00 0.00 54.13 54.38 1jh4 s LEU 7 Cb 0.12 -1.90 -0.21 0.00 0.01 0.00 0.00 46.19 44.21 1jh4 s LEU 7 CO 0.40 0.31 0.87 0.71 1.01 0.00 0.00 176.35 179.66 1jh4 h THR 8 N 4.40 1.07 0.08 5.49 1.35 -1.99 -3.00 112.91 120.31 1jh4 h THR 8 Ca -0.46 -2.85 -0.00 0.00 -0.55 0.00 0.00 66.41 62.55 1jh4 h THR 8 Cb 1.19 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 1jh4 h THR 8 CO 0.60 0.61 -0.04 0.00 -0.25 0.00 0.00 175.52 176.44 1jh4 h ALA 9 N 1.04 -1.01 -0.18 6.62 0.00 -1.95 -2.52 119.26 121.25 1jh4 h ALA 9 Ca -0.19 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1jh4 h ALA 9 Cb 1.90 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1jh4 h ALA 9 CO 0.09 -1.00 0.19 1.03 0.00 0.00 0.00 179.25 179.56 1jh4 h SER 10 N -0.11 0.00 -0.65 0.00 0.87 -1.97 -1.04 113.55 110.65 1jh4 h SER 10 Ca -0.01 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1jh4 h SER 10 Cb 0.08 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 1jh4 h SER 10 CO 0.02 0.00 0.27 0.00 -0.53 0.00 0.00 176.83 176.59 1jh4 h MET 11 N 0.00 0.97 0.55 2.24 -0.00 -1.37 0.15 114.93 117.47 1jh4 h MET 11 Ca 0.09 -0.17 -0.03 0.00 -0.00 0.00 0.00 59.70 59.59 1jh4 h MET 11 Cb 0.46 -0.16 0.01 0.00 -0.00 0.00 0.00 31.60 31.91 1jh4 h MET 11 CO -0.00 0.80 -0.26 1.25 -0.00 0.00 0.00 176.91 178.69 1jh4 h LEU 12 N 0.91 -0.63 0.00 -0.10 7.12 -0.75 -1.55 115.31 120.32 1jh4 h LEU 12 Ca 0.22 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.24 1jh4 h LEU 12 Cb 0.19 0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.48 1jh4 h LEU 12 CO -0.02 -0.44 0.00 0.00 -0.13 0.00 0.00 178.44 177.85 1jh4 n ALA 13 N -2.42 2.05 -0.01 1.25 0.00 -1.08 -2.70 120.51 117.60 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 0.31 -1.01 -0.14 0.00 0.00 0.00 0.00 19.45 18.62 1jh4 n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jh4 h SER 14 N 0.00 0.35 -2.14 0.00 0.87 0.11 -3.41 113.55 109.32 1jh4 h SER 14 Ca 0.00 -0.85 -0.55 0.00 -1.23 0.00 0.00 61.79 59.16 1jh4 h SER 14 Cb 0.00 -0.12 -0.41 0.00 -0.44 0.00 0.00 62.40 61.43 1jh4 h SER 14 CO 0.00 1.72 -0.88 0.00 -0.53 0.00 0.00 176.83 177.14 1jh4 n ALA 15 N -3.05 3.43 -0.31 6.23 0.00 -1.10 -4.97 120.51 120.75 1jh4 n ALA 15 Ca -0.29 -4.12 0.09 0.00 0.00 0.00 0.00 53.44 49.12 1jh4 n ALA 15 Cb 0.94 -0.83 0.21 0.00 0.00 0.00 0.00 19.45 19.77 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 3.26 0.05 0.00 0.00 0.10 -1.81 -2.42 132.00 131.17 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 -0.01 0.00 0.00 0.10 0.00 0.00 31.00 31.82 1jh4 h PRO 16 CO 0.67 0.03 0.00 -2.30 0.10 0.00 0.00 178.00 176.50 1jh4 n PRO 17 N -5.45 2.36 0.23 1.05 -0.02 -1.26 -4.16 135.00 127.75 1jh4 n PRO 17 Ca 0.18 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.76 1jh4 n PRO 17 Cb 0.60 0.00 0.56 0.00 -0.02 0.00 0.00 33.50 34.63 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 -1.27 -0.52 -0.00 -2.04 -0.89 115.11 110.38 1jh4 h GLN 18 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.45 1jh4 h GLN 18 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 27.48 27.38 1jh4 h GLN 18 CO 0.00 0.00 0.26 0.39 -0.00 0.00 0.00 178.83 179.48 1jh4 n GLU 19 N -2.39 1.50 0.00 0.06 -0.58 -1.24 -4.43 120.64 113.56 1jh4 n GLU 19 Ca -0.01 -1.09 0.00 0.00 -0.42 0.00 0.00 57.16 55.64 1jh4 n GLU 19 Cb 0.32 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 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 0.23 0.00 0.00 3.49 10.64 -0.34 -4.10 117.38 127.30 1jh4 n GLN 20 Ca 0.21 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.38 1jh4 n GLN 20 Cb 0.76 -0.34 0.00 0.00 -0.86 0.00 0.00 30.24 29.80 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 -0.09 0.98 0.22 2.61 4.76 -1.26 -4.20 118.16 121.18 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 -1.26 -0.04 0.00 -1.84 0.00 0.00 35.03 31.89 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 0.01 -0.55 0.00 1.97 -0.00 -1.76 -3.17 115.11 111.61 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 0.26 0.13 0.00 0.00 0.00 0.00 0.00 27.48 27.86 1jh4 h GLN 22 CO 0.00 -0.37 0.00 -1.33 0.00 0.00 0.00 178.83 177.13 1jh4 n MET 23 N -3.75 0.00 -0.06 1.69 2.81 -1.26 -3.28 117.12 113.27 1jh4 n MET 23 Ca -0.07 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.81 1jh4 n MET 23 Cb 0.23 -0.48 -0.01 0.00 -0.71 0.00 0.00 33.22 32.25 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 0.37 0.00 4.03 -0.00 -1.26 -4.88 117.00 115.26 1jh4 n LEU 24 Ca 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 56.01 55.14 1jh4 n LEU 24 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 1jh4 n LEU 24 CO 0.00 -0.67 0.00 0.61 -0.00 0.00 0.00 177.39 177.33 1jh4 n GLY 25 N 3.40 0.56 0.00 1.47 0.00 -1.20 -4.01 105.19 105.41 1jh4 n GLY 25 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 5.71 0.00 -0.12 1.61 1.02 -1.26 -4.33 120.64 123.27 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 -0.40 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 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 -0.26 0.29 -0.02 3.49 5.12 -1.26 -4.88 116.66 119.14 1jh4 n ARG 27 Ca 0.00 -0.77 -0.16 0.00 -1.93 0.00 0.00 57.85 54.99 1jh4 n ARG 27 Cb 0.00 -0.57 -0.09 0.00 -1.16 0.00 0.00 32.46 30.63 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 0.48 -0.49 0.55 3.38 -1.89 -3.24 115.31 114.10 1jh4 h LEU 28 Ca 0.00 -0.67 0.10 0.00 0.09 0.00 0.00 57.88 57.40 1jh4 h LEU 28 Cb 1.06 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.57 1jh4 h LEU 28 CO 0.00 1.07 -0.22 0.15 0.09 0.00 0.00 178.44 179.54 1jh4 h PHE 29 N -0.08 -0.55 -0.60 1.13 3.57 -1.79 0.99 116.94 119.60 1jh4 h PHE 29 Ca -0.03 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1jh4 h PHE 29 Cb 1.08 0.31 -0.06 0.00 2.79 0.00 0.00 35.95 40.08 1jh4 h PHE 29 CO 0.13 -0.30 0.30 -1.35 -2.23 0.00 0.00 178.31 174.86 1jh4 h PRO 30 N -0.11 0.54 0.00 6.41 0.11 -1.88 1.54 132.00 138.62 1jh4 h PRO 30 Ca 0.23 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 1jh4 h PRO 30 Cb 0.46 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1jh4 h PRO 30 CO -0.56 0.36 -0.00 -0.07 -0.21 0.00 0.00 178.00 177.52 1jh4 h LEU 31 N 0.56 -0.00 -0.45 2.35 3.38 -1.18 -3.00 115.31 116.97 1jh4 h LEU 31 Ca 0.28 -0.54 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 1jh4 h LEU 31 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1jh4 h LEU 31 CO -0.20 0.54 -0.13 -0.29 0.09 0.00 0.00 178.44 178.45 1jh4 h ILE 32 N -0.55 1.27 -0.89 1.22 -0.00 0.11 -2.59 117.51 116.08 1jh4 h ILE 32 Ca -0.00 -1.26 0.24 0.00 -0.00 0.00 0.00 64.86 63.85 1jh4 h ILE 32 Cb 0.55 1.16 -0.14 0.00 -0.00 0.00 0.00 36.82 38.38 1jh4 h ILE 32 CO 0.00 0.43 0.29 -0.61 -0.00 0.00 0.00 178.15 178.25 1jh4 h GLN 33 N 0.71 0.23 -0.50 2.19 4.15 0.22 2.56 115.11 124.66 1jh4 h GLN 33 Ca 0.11 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.59 1jh4 h GLN 33 Cb 0.68 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.29 1jh4 h GLN 33 CO 0.05 0.15 0.34 0.00 -1.93 0.00 0.00 178.83 177.44 1jh4 h ALA 34 N 1.78 2.01 0.00 3.38 0.00 -1.31 -3.21 119.26 121.91 1jh4 h ALA 34 Ca 0.57 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 55.08 1jh4 h ALA 34 Cb 1.17 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1jh4 h ALA 34 CO -0.64 -0.12 -2.26 -1.33 0.00 0.00 0.00 179.25 174.90 1jh4 n MET 35 N -4.47 0.58 -3.60 0.00 2.81 0.38 -5.03 117.12 107.79 1jh4 n MET 35 Ca 0.07 0.28 -0.22 0.00 -1.81 0.00 0.00 57.70 56.02 1jh4 n MET 35 Cb 0.31 -1.51 0.07 0.00 -0.71 0.00 0.00 33.22 31.39 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 -4.29 -2.50 0.00 2.03 8.25 0.77 -4.96 115.22 114.51 1jh4 n HIS 36 Ca -0.48 0.96 0.00 0.00 -0.26 0.00 0.00 57.72 57.94 1jh4 n HIS 36 Cb 0.83 -4.85 0.00 0.00 1.12 0.00 0.00 29.99 27.09 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 -4.62 0.00 -0.04 -0.41 -0.04 -1.26 -4.67 135.00 123.95 1jh4 n PRO 37 Ca -0.11 0.30 -0.03 0.00 -0.04 0.00 0.00 63.50 63.62 1jh4 n PRO 37 Cb 0.60 -1.29 -0.01 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.40 0.82 -3.15 0.52 -2.24 -1.26 -5.03 114.28 102.55 1jh4 n THR 38 Ca 0.00 0.33 0.05 0.00 -2.27 0.00 0.00 64.05 62.16 1jh4 n THR 38 Cb 0.00 -2.01 -0.01 0.00 -2.10 0.00 0.00 70.33 66.21 1jh4 n THR 38 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1jh4 s LEU 39 N -6.65 -0.84 0.24 3.22 1.98 -1.26 -5.04 118.68 110.34 1jh4 s LEU 39 Ca -0.11 0.42 -0.08 0.00 -2.89 0.00 0.00 54.13 51.48 1jh4 s LEU 39 Cb 0.01 1.66 0.41 0.00 0.66 0.00 0.00 46.19 48.94 1jh4 s LEU 39 CO 0.16 -0.16 1.62 0.00 -1.89 0.00 0.00 176.35 176.08 1jh4 h ALA 40 N 7.91 0.71 0.51 5.97 0.00 -1.90 0.82 119.26 133.28 1jh4 h ALA 40 Ca -0.15 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1jh4 h ALA 40 Cb 1.17 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1jh4 h ALA 40 CO 0.03 -0.43 -0.27 0.78 0.00 0.00 0.00 179.25 179.36 1jh4 h GLY 41 N 0.06 -0.82 1.10 0.00 0.00 -1.97 -2.81 103.07 98.64 1jh4 h GLY 41 Ca 0.40 0.32 -0.12 0.00 0.00 0.00 0.00 47.33 47.94 1jh4 h GLY 41 CO -0.71 -0.29 -0.11 0.50 0.00 0.00 0.00 176.54 175.93 1jh4 h LYS 42 N -0.72 1.05 -0.93 4.80 6.56 -1.94 -3.05 116.57 122.34 1jh4 h LYS 42 Ca -0.07 -0.39 0.18 0.00 -1.06 0.00 0.00 60.65 59.31 1jh4 h LYS 42 Cb 0.56 -0.06 -0.08 0.00 -0.57 0.00 0.00 32.23 32.08 1jh4 h LYS 42 CO 0.10 1.09 0.60 0.97 -2.06 0.00 0.00 179.45 180.14 1jh4 h ILE 43 N 0.93 0.74 -0.67 1.86 2.10 0.60 -0.10 117.51 122.97 1jh4 h ILE 43 Ca 0.14 -0.21 -0.07 0.00 1.08 0.00 0.00 64.86 65.81 1jh4 h ILE 43 Cb 0.69 0.08 -0.03 0.00 -1.09 0.00 0.00 36.82 36.47 1jh4 h ILE 43 CO 0.05 0.11 0.15 0.74 -1.08 0.00 0.00 178.15 178.12 1jh4 h THR 44 N 0.60 1.26 -0.30 2.19 2.02 -1.38 -2.61 112.91 114.70 1jh4 h THR 44 Ca 0.49 -0.96 0.08 0.00 0.77 0.00 0.00 66.41 66.79 1jh4 h THR 44 Cb 0.95 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1jh4 h THR 44 CO -0.24 0.37 0.21 1.23 0.37 0.00 0.00 175.52 177.46 1jh4 h GLY 45 N 1.00 0.03 0.22 2.16 0.00 -1.06 0.07 103.07 105.49 1jh4 h GLY 45 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1jh4 h GLY 45 CO 0.00 0.01 -0.09 -0.33 0.00 0.00 0.00 176.54 176.13 1jh4 h MET 46 N 0.03 -0.25 -0.06 4.80 2.07 -1.39 -3.26 114.93 116.87 1jh4 h MET 46 Ca 0.14 0.02 0.02 0.00 -2.07 0.00 0.00 59.70 57.81 1jh4 h MET 46 Cb 0.54 0.06 -0.00 0.00 -1.87 0.00 0.00 31.60 30.32 1jh4 h MET 46 CO -0.01 -0.08 0.12 -0.07 1.07 0.00 0.00 176.91 177.95 1jh4 h LEU 47 N -1.05 0.00 -0.62 1.22 -0.00 -1.29 -2.91 115.31 110.66 1jh4 h LEU 47 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1jh4 h LEU 47 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1jh4 h LEU 47 CO 0.04 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.66 1jh4 n LEU 48 N -3.48 0.00 0.00 1.67 4.32 -0.01 -2.94 117.00 116.56 1jh4 n LEU 48 Ca -0.01 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.08 1jh4 n LEU 48 Cb 0.20 0.00 0.54 0.00 -1.62 0.00 0.00 43.42 42.55 1jh4 n LEU 48 CO 0.23 0.00 0.85 1.21 -1.22 0.00 0.00 177.39 178.46 1jh4 n GLU 49 N 0.10 0.29 -3.80 3.23 0.00 -1.10 -4.79 120.64 114.57 1jh4 n GLU 49 Ca 0.00 0.08 -0.24 0.00 0.00 0.00 0.00 57.16 57.00 1jh4 n GLU 49 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 29.92 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 -2.60 2.08 0.43 6.31 1.10 -1.15 -5.12 121.20 122.26 1jh4 s ILE 50 Ca 0.20 -1.46 -0.23 0.00 -0.51 0.00 0.00 60.65 58.65 1jh4 s ILE 50 Cb 0.15 -2.54 -0.09 0.00 0.15 0.00 0.00 42.46 40.13 1jh4 s ILE 50 CO 0.34 0.00 1.05 -0.62 -2.11 0.00 0.00 174.94 173.60 1jh4 s ASP 51 N -4.19 6.57 0.60 4.50 2.15 -1.26 -4.91 116.67 120.13 1jh4 s ASP 51 Ca 0.40 2.02 0.29 0.00 0.43 0.00 0.00 52.55 55.69 1jh4 s ASP 51 Cb -0.02 -2.58 1.46 0.00 -0.30 0.00 0.00 42.92 41.48 1jh4 s ASP 51 CO 0.24 -0.62 1.86 -1.13 -0.17 0.00 0.00 175.17 175.35 1jh4 h ASN 52 N 2.15 0.00 0.69 -0.34 -0.73 -1.99 0.21 115.58 115.57 1jh4 h ASN 52 Ca -0.49 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 57.55 1jh4 h ASN 52 Cb 1.22 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.79 1jh4 h ASN 52 CO 0.61 0.00 -0.65 0.77 -0.37 0.00 0.00 177.43 177.79 1jh4 h SER 53 N 0.00 0.00 -0.02 1.15 4.64 -2.01 -3.11 113.55 114.21 1jh4 h SER 53 Ca 0.21 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.38 1jh4 h SER 53 Cb 1.23 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1jh4 h SER 53 CO -0.00 0.65 -0.58 -0.33 -0.87 0.00 0.00 176.83 175.70 1jh4 h GLU 54 N 0.00 0.42 -0.26 4.77 4.39 -0.93 -3.12 114.58 119.84 1jh4 h GLU 54 Ca -0.01 -0.43 0.03 0.00 0.34 0.00 0.00 59.36 59.30 1jh4 h GLU 54 Cb 1.17 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 1jh4 h GLU 54 CO 0.08 1.09 0.18 -0.07 -1.16 0.00 0.00 179.01 179.13 1jh4 h LEU 55 N -0.08 0.19 -0.34 1.33 4.07 -1.59 -1.22 115.31 117.67 1jh4 h LEU 55 Ca -0.07 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 1jh4 h LEU 55 Cb 1.28 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.96 1jh4 h LEU 55 CO 0.11 0.13 0.08 -0.07 -1.08 0.00 0.00 178.44 177.62 1jh4 h LEU 56 N 0.22 0.51 -1.08 1.67 4.07 -1.54 -1.17 115.31 117.98 1jh4 h LEU 56 Ca 0.11 -0.23 -0.02 0.00 0.08 0.00 0.00 57.88 57.82 1jh4 h LEU 56 Cb 0.17 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.74 1jh4 h LEU 56 CO -0.02 0.61 0.39 0.45 -1.08 0.00 0.00 178.44 178.79 1jh4 h HIS 57 N 0.39 1.02 -0.27 1.13 3.86 -1.19 -2.19 115.15 117.90 1jh4 h HIS 57 Ca 0.11 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 1jh4 h HIS 57 Cb 0.30 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1jh4 h HIS 57 CO 0.02 0.72 -0.05 0.52 0.86 0.00 0.00 177.93 179.99 1jh4 h MET 58 N 1.04 0.51 -0.00 2.45 2.86 -1.13 -2.54 114.93 118.12 1jh4 h MET 58 Ca 0.26 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1jh4 h MET 58 Cb 0.05 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1jh4 h MET 58 CO -0.04 0.71 0.00 1.25 1.06 0.00 0.00 176.91 179.90 1jh4 h LEU 59 N 0.27 0.00 -0.77 1.22 6.46 -0.82 0.18 115.31 121.84 1jh4 h LEU 59 Ca 0.07 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1jh4 h LEU 59 Cb 0.52 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1jh4 h LEU 59 CO 0.02 0.00 -0.25 -1.84 -0.62 0.00 0.00 178.44 175.75 1jh4 n GLU 60 N -3.83 1.14 -3.48 1.25 0.28 -0.86 -4.71 120.64 110.43 1jh4 n GLU 60 Ca -0.03 -0.77 -0.23 0.00 -0.16 0.00 0.00 57.16 55.97 1jh4 n GLU 60 Cb 0.09 -1.48 -0.13 0.00 1.43 0.00 0.00 31.44 31.34 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 -2.39 2.59 0.45 -1.84 0.01 0.62 -5.02 113.70 108.12 1jh4 s SER 61 Ca 0.25 -0.97 0.21 0.00 1.31 0.00 0.00 55.95 56.75 1jh4 s SER 61 Cb 0.19 0.05 1.20 0.00 0.21 0.00 0.00 66.02 67.68 1jh4 s SER 61 CO 0.49 -0.41 1.87 -0.65 0.41 0.00 0.00 173.24 174.95 1jh4 h PRO 62 N 8.34 0.27 0.17 12.44 0.11 -1.84 0.13 132.00 151.62 1jh4 h PRO 62 Ca -0.17 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.94 1jh4 h PRO 62 Cb 1.05 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 1jh4 h PRO 62 CO 0.38 0.18 -0.33 1.05 -0.21 0.00 0.00 178.00 179.08 1jh4 h GLU 63 N 0.28 -0.56 0.01 1.05 9.09 -1.95 0.14 114.58 122.63 1jh4 h GLU 63 Ca 0.45 0.04 -0.20 0.00 0.05 0.00 0.00 59.36 59.70 1jh4 h GLU 63 Cb 1.31 0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 28.52 1jh4 h GLU 63 CO -0.13 -0.37 -0.89 0.77 0.05 0.00 0.00 179.01 178.44 1jh4 h SER 64 N -0.58 0.21 0.57 3.06 0.02 -1.74 -3.07 113.55 112.01 1jh4 h SER 64 Ca 0.02 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 1jh4 h SER 64 Cb 0.59 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1jh4 h SER 64 CO -0.16 1.00 -0.41 0.25 -1.14 0.00 0.00 176.83 176.36 1jh4 h LEU 65 N 0.08 -1.07 -1.91 5.07 7.12 -0.63 -2.01 115.31 121.97 1jh4 h LEU 65 Ca -0.04 0.07 0.07 0.00 0.13 0.00 0.00 57.88 58.11 1jh4 h LEU 65 Cb 1.53 0.33 -0.02 0.00 -0.53 0.00 0.00 40.66 41.98 1jh4 h LEU 65 CO 0.13 -0.60 0.23 0.03 -0.13 0.00 0.00 178.44 178.10 1jh4 h ARG 66 N -0.94 0.11 -0.47 1.25 3.08 -0.85 -2.01 114.38 114.55 1jh4 h ARG 66 Ca -0.08 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.06 1jh4 h ARG 66 Cb 0.77 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.71 1jh4 h ARG 66 CO 0.04 0.07 -0.05 1.03 -1.07 0.00 0.00 179.97 179.99 1jh4 h SER 67 N 0.11 -0.30 0.01 7.04 0.87 -1.27 0.41 113.55 120.42 1jh4 h SER 67 Ca 0.15 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1jh4 h SER 67 Cb 0.45 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1jh4 h SER 67 CO -0.02 -0.10 -0.00 0.11 -0.53 0.00 0.00 176.83 176.28 1jh4 h LYS 68 N 0.06 -0.01 -0.03 2.24 1.57 -1.04 -3.16 116.57 116.20 1jh4 h LYS 68 Ca 0.23 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 1jh4 h LYS 68 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1jh4 h LYS 68 CO -0.43 0.83 -0.09 0.28 -0.57 0.00 0.00 179.45 179.46 1jh4 h VAL 69 N -0.92 0.75 -0.42 0.50 2.07 -1.33 -1.31 116.25 115.59 1jh4 h VAL 69 Ca -0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1jh4 h VAL 69 Cb 0.84 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 31.27 1jh4 h VAL 69 CO 0.00 0.00 -0.20 -0.78 0.02 0.00 0.00 177.57 176.61 1jh4 h ASP 70 N -0.15 -0.68 -0.49 0.57 3.58 -0.34 0.28 116.42 119.18 1jh4 h ASP 70 Ca 0.05 0.16 0.10 0.00 0.42 0.00 0.00 57.03 57.75 1jh4 h ASP 70 Cb 0.21 0.37 -0.10 0.00 1.72 0.00 0.00 39.33 41.53 1jh4 h ASP 70 CO -0.12 -0.23 -0.24 -0.33 -2.88 0.00 0.00 179.24 175.45 1jh4 h GLU 71 N -0.12 -0.12 -0.67 0.28 3.07 -1.40 -0.83 114.58 114.79 1jh4 h GLU 71 Ca 0.20 0.01 0.12 0.00 -0.50 0.00 0.00 59.36 59.19 1jh4 h GLU 71 Cb 0.43 0.03 -0.13 0.00 -0.84 0.00 0.00 28.75 28.24 1jh4 h GLU 71 CO -0.50 -0.08 -0.29 0.00 -1.40 0.00 0.00 179.01 176.74 1jh4 h ALA 72 N 1.17 0.15 -0.91 3.43 0.00 0.19 0.25 119.26 123.54 1jh4 h ALA 72 Ca 0.23 0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.52 1jh4 h ALA 72 Cb 0.48 0.73 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 1jh4 h ALA 72 CO -0.57 -0.58 0.50 0.28 0.00 0.00 0.00 179.25 178.87 1jh4 h VAL 73 N -0.10 0.69 0.34 0.00 2.07 -0.53 2.03 116.25 120.75 1jh4 h VAL 73 Ca 0.28 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1jh4 h VAL 73 Cb 0.55 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1jh4 h VAL 73 CO -0.73 0.12 -0.16 0.00 0.02 0.00 0.00 177.57 176.81 1jh4 h ALA 74 N 1.61 -0.46 0.58 1.67 0.00 -0.39 -2.82 119.26 119.45 1jh4 h ALA 74 Ca 0.52 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1jh4 h ALA 74 Cb 0.79 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1jh4 h ALA 74 CO -0.39 -0.44 -0.28 -0.24 0.00 0.00 0.00 179.25 177.90 1jh4 h VAL 75 N -1.09 0.00 0.15 0.00 3.04 -0.35 -2.82 116.25 115.18 1jh4 h VAL 75 Ca -0.05 -0.31 0.01 0.00 -1.01 0.00 0.00 66.70 65.34 1jh4 h VAL 75 Cb 0.40 0.00 -0.03 0.00 -2.01 0.00 0.00 31.29 29.65 1jh4 h VAL 75 CO 0.08 0.00 -0.42 0.25 -1.01 0.00 0.00 177.57 176.47 1jh4 h LEU 76 N -1.09 -1.25 -1.93 3.16 6.46 0.31 1.09 115.31 122.07 1jh4 h LEU 76 Ca -0.08 0.13 0.24 0.00 -0.12 0.00 0.00 57.88 58.04 1jh4 h LEU 76 Cb 0.60 0.45 -0.03 0.00 -0.73 0.00 0.00 40.66 40.95 1jh4 h LEU 76 CO 0.13 -0.46 0.66 -0.61 -0.62 0.00 0.00 178.44 177.54 1jh4 h GLN 77 N -0.64 0.00 0.00 1.25 4.15 -1.21 0.81 115.11 119.47 1jh4 h GLN 77 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1jh4 h GLN 77 Cb 0.62 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1jh4 h GLN 77 CO -0.20 0.00 -0.06 0.00 -1.93 0.00 0.00 178.83 176.64 1jh4 h ALA 78 N 1.44 0.00 -0.71 3.38 0.00 -0.80 -3.32 119.26 119.24 1jh4 h ALA 78 Ca 0.39 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1jh4 h ALA 78 Cb 1.71 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 1jh4 h ALA 78 CO -0.00 0.06 0.45 1.25 0.00 0.00 0.00 179.25 181.00 1jh4 h HIS 79 N -0.68 0.84 -0.13 0.00 2.76 0.17 -2.02 115.15 116.08 1jh4 h HIS 79 Ca 0.00 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.12 1jh4 h HIS 79 Cb 0.06 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 28.70 1jh4 h HIS 79 CO -0.02 0.49 0.09 0.94 -1.30 0.00 0.00 177.93 178.12 1jh4 n GLN 80 N -4.65 1.18 -0.01 5.26 7.27 0.28 -3.38 117.38 123.33 1jh4 n GLN 80 Ca 0.07 -0.41 -0.01 0.00 0.07 0.00 0.00 57.00 56.73 1jh4 n GLN 80 Cb 0.07 -1.17 -0.01 0.00 2.41 0.00 0.00 30.24 31.54 1jh4 n GLN 80 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1jh4 n ALA 81 N 0.27 1.97 -1.62 1.69 0.00 -0.76 -4.88 120.51 117.18 1jh4 n ALA 81 Ca 0.08 -0.08 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1jh4 n ALA 81 Cb 0.65 0.20 -0.08 0.00 0.00 0.00 0.00 19.45 20.22 1jh4 n ALA 81 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jh4 n LYS 82 N -2.01 0.96 -2.62 0.00 5.02 -1.22 -4.80 118.16 113.49 1jh4 n LYS 82 Ca -0.02 -2.00 -0.43 0.00 -2.02 0.00 0.00 58.31 53.84 1jh4 n LYS 82 Cb 0.51 -3.56 0.00 0.00 -0.02 0.00 0.00 35.03 31.96 1jh4 n LYS 82 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1jh4 n GLU 83 N 8.03 3.74 -1.75 1.97 2.13 -1.26 -5.00 120.64 128.50 1jh4 n GLU 83 Ca 0.45 -3.83 -0.42 0.00 0.66 0.00 0.00 57.16 54.02 1jh4 n GLU 83 Cb 0.45 -2.85 -0.03 0.00 0.27 0.00 0.00 31.44 29.29 1jh4 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jh4 s ALA 84 N -0.11 3.88 -0.36 4.31 0.00 -1.26 -4.93 121.76 123.30 1jh4 s ALA 84 Ca 0.38 1.53 -0.29 0.00 0.00 0.00 0.00 51.96 53.58 1jh4 s ALA 84 Cb 0.06 -3.70 0.01 0.00 0.00 0.00 0.00 23.12 19.49 1jh4 s ALA 84 CO 0.02 -0.98 1.19 0.00 0.00 0.00 0.00 175.76 175.99 1jh4 s ALA 85 N 1.55 3.34 -0.20 0.00 0.00 -1.26 -4.89 121.76 120.30 1jh4 s ALA 85 Ca 0.76 -0.12 -0.10 0.00 0.00 0.00 0.00 51.96 52.51 1jh4 s ALA 85 Cb -0.48 -3.78 -0.20 0.00 0.00 0.00 0.00 23.12 18.65 1jh4 s ALA 85 CO 0.33 -1.83 0.09 0.00 0.00 0.00 0.00 175.76 174.35 1jh4 n GLN 86 N 7.34 0.66 -2.45 0.00 10.64 -1.26 -4.63 117.38 127.67 1jh4 n GLN 86 Ca 0.13 0.32 -0.43 0.00 -1.83 0.00 0.00 57.00 55.19 1jh4 n GLN 86 Cb 0.47 -1.65 0.00 0.00 -0.86 0.00 0.00 30.24 28.21 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 -3.79 3.16 -2.97 2.61 4.81 -1.26 -4.96 118.16 115.76 1jh4 n LYS 87 Ca -0.39 -3.22 -0.41 0.00 -0.87 0.00 0.00 58.31 53.43 1jh4 n LYS 87 Cb 0.92 -3.41 -0.04 0.00 0.02 0.00 0.00 35.03 32.52 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 3.70 3.41 -0.97 3.14 0.00 -1.26 -4.99 121.76 124.79 1jh4 s ALA 88 Ca 0.51 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 1jh4 s ALA 88 Cb 0.05 -3.08 0.31 0.00 0.00 0.00 0.00 23.12 20.40 1jh4 s ALA 88 CO 0.04 -0.36 1.44 1.33 0.00 0.00 0.00 175.76 178.21 1jh4 n VAL 89 N 4.23 4.99 -0.11 0.00 0.24 -1.26 -4.69 118.33 121.72 1jh4 n VAL 89 Ca 0.01 -5.83 -0.23 0.00 -2.04 0.00 0.00 64.34 56.25 1jh4 n VAL 89 Cb 0.50 -1.89 -0.12 0.00 -1.47 0.00 0.00 33.84 30.86 1jh4 n VAL 89 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1jh4 n ASN 90 N 0.78 1.98 -2.08 -1.34 2.85 -1.26 -5.01 115.26 111.18 1jh4 n ASN 90 Ca 0.32 0.12 -0.01 0.00 -0.11 0.00 0.00 54.58 54.91 1jh4 n ASN 90 Cb 0.33 -0.66 0.00 0.00 1.24 0.00 0.00 39.78 40.69 1jh4 n ASN 90 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1jh4 n SER 91 N -3.73 0.05 -1.63 1.20 7.64 -1.26 -4.98 113.62 110.90 1jh4 n SER 91 Ca -0.46 -1.04 -0.06 0.00 1.01 0.00 0.00 58.87 58.32 1jh4 n SER 91 Cb 0.94 -0.02 0.19 0.00 -1.01 0.00 0.00 64.21 64.30 1jh4 n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jh4 n ALA 92 N -3.00 4.02 -1.70 -0.43 0.00 -1.26 -4.55 120.51 113.60 1jh4 n ALA 92 Ca -0.01 -1.60 -0.32 0.00 0.00 0.00 0.00 53.44 51.51 1jh4 n ALA 92 Cb 0.02 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1jh4 n ALA 92 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1jh4 n THR 93 N -0.12 3.71 0.00 0.00 5.66 -1.26 -4.84 114.28 117.43 1jh4 n THR 93 Ca 0.30 -3.58 0.00 0.00 -3.05 0.00 0.00 64.05 57.72 1jh4 n THR 93 Cb 1.09 -1.55 0.00 0.00 -1.55 0.00 0.00 70.33 68.32 1jh4 n THR 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1jh4 n GLY 94 N 0.58 0.80 3.95 1.09 0.00 -1.26 -5.06 105.19 105.29 1jh4 n GLY 94 Ca 0.51 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.31 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 3.60 4.33 -0.92 1.61 -7.23 -1.26 -4.97 120.40 115.56 1jh4 s VAL 95 Ca 0.00 -0.54 -0.26 0.00 -1.81 0.00 0.00 61.98 59.37 1jh4 s VAL 95 Cb 0.00 -3.58 -0.18 0.00 0.56 0.00 0.00 36.38 33.18 1jh4 s VAL 95 CO 0.00 -0.38 2.28 -2.16 -0.31 0.00 0.00 175.10 174.53 1jh4 s PRO 96 N -4.45 1.39 0.38 4.82 0.04 -1.26 -4.91 135.00 131.01 1jh4 s PRO 96 Ca 0.46 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1jh4 s PRO 96 Cb -0.10 -4.87 -0.03 0.00 0.04 0.00 0.00 34.50 29.54 1jh4 s PRO 96 CO 0.37 -4.96 0.59 0.99 0.04 0.00 0.00 177.00 174.03 1jh4 s THR 97 N 15.91 4.80 -0.84 1.26 2.01 -1.26 -5.31 115.64 132.21 1jh4 s THR 97 Ca 0.88 -0.44 0.07 0.00 0.31 0.00 0.00 61.69 62.50 1jh4 s THR 97 Cb -0.09 -3.76 0.05 0.00 0.01 0.00 0.00 72.50 68.71 1jh4 s THR 97 CO 0.13 -0.52 0.71 0.55 -0.69 0.00 0.00 174.62 174.80