#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh4 h PRO 2 N 0.00 -0.41 -0.64 1.61 0.13 -2.10 -3.28 132.00 127.31 1jh4 h PRO 2 Ca 0.00 0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1jh4 h PRO 2 Cb 0.00 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.22 1jh4 h PRO 2 CO 0.00 -0.08 0.02 1.28 -0.23 0.00 0.00 178.00 178.98 1jh4 n LEU 3 N -5.09 5.21 -4.87 1.56 7.99 -1.26 -4.96 117.00 115.58 1jh4 n LEU 3 Ca -0.09 -2.65 -0.30 0.00 -0.01 0.00 0.00 56.01 52.97 1jh4 n LEU 3 Cb 0.26 -0.67 -0.02 0.00 -0.11 0.00 0.00 43.42 42.89 1jh4 n LEU 3 CO 0.26 0.59 0.55 -0.83 -1.51 0.00 0.00 177.39 176.45 1jh4 s GLY 4 N -0.69 1.80 -0.45 -0.72 0.00 -1.24 -5.02 107.32 101.01 1jh4 s GLY 4 Ca 0.48 -0.17 -0.29 0.00 0.00 0.00 0.00 44.72 44.75 1jh4 s GLY 4 CO 0.14 0.05 1.11 -0.45 0.00 0.00 0.00 173.10 173.95 1jh4 s SER 5 N -3.58 6.66 -0.57 1.64 0.15 -1.26 -4.78 113.70 111.96 1jh4 s SER 5 Ca 0.53 0.52 -0.28 0.00 0.70 0.00 0.00 55.95 57.42 1jh4 s SER 5 Cb -0.10 -2.54 -0.10 0.00 -1.71 0.00 0.00 66.02 61.57 1jh4 s SER 5 CO 0.39 -1.18 2.45 -2.65 1.20 0.00 0.00 173.24 173.46 1jh4 n PRO 6 N 7.63 0.88 -3.82 5.44 -0.02 -1.26 -4.92 135.00 138.93 1jh4 n PRO 6 Ca 0.11 0.04 -0.36 0.00 -2.02 0.00 0.00 63.50 61.27 1jh4 n PRO 6 Cb 0.49 -2.99 -0.10 0.00 -0.02 0.00 0.00 33.50 30.87 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 11.13 3.81 0.00 2.45 2.01 -1.26 -4.98 118.68 131.85 1jh4 s LEU 7 Ca 1.07 0.01 0.06 0.00 0.01 0.00 0.00 54.13 55.27 1jh4 s LEU 7 Cb -0.44 -2.00 -0.24 0.00 0.01 0.00 0.00 46.19 43.52 1jh4 s LEU 7 CO 0.32 0.07 0.84 0.71 1.01 0.00 0.00 176.35 179.30 1jh4 h THR 8 N 5.12 1.11 0.27 5.49 1.35 -1.99 -2.94 112.91 121.33 1jh4 h THR 8 Ca -0.37 -2.87 -0.01 0.00 -0.55 0.00 0.00 66.41 62.61 1jh4 h THR 8 Cb 1.17 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 70.21 1jh4 h THR 8 CO 0.64 0.72 -0.14 0.00 -0.25 0.00 0.00 175.52 176.49 1jh4 h ALA 9 N 0.80 -1.07 -0.11 6.62 0.00 -2.01 -2.68 119.26 120.80 1jh4 h ALA 9 Ca -0.22 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1jh4 h ALA 9 Cb 1.96 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.93 1jh4 h ALA 9 CO 0.11 -1.05 0.16 1.03 0.00 0.00 0.00 179.25 179.50 1jh4 h SER 10 N -0.37 0.00 -0.42 0.00 0.87 -1.98 -1.49 113.55 110.17 1jh4 h SER 10 Ca -0.04 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1jh4 h SER 10 Cb 0.29 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1jh4 h SER 10 CO 0.05 0.00 0.20 0.24 -0.53 0.00 0.00 176.83 176.79 1jh4 h MET 11 N 0.00 0.60 0.47 2.24 2.86 -1.29 -0.03 114.93 119.77 1jh4 h MET 11 Ca 0.05 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1jh4 h MET 11 Cb 0.37 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1jh4 h MET 11 CO -0.00 0.52 -0.45 1.25 1.06 0.00 0.00 176.91 179.30 1jh4 h LEU 12 N 0.53 -1.21 0.00 1.22 7.12 -0.95 -0.48 115.31 121.54 1jh4 h LEU 12 Ca 0.14 0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.25 1jh4 h LEU 12 Cb 0.12 0.40 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 1jh4 h LEU 12 CO -0.02 -0.61 0.00 0.00 -0.13 0.00 0.00 178.44 177.68 1jh4 n ALA 13 N -2.75 2.08 -0.10 1.25 0.00 -1.14 -2.33 120.51 117.53 1jh4 n ALA 13 Ca -0.11 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.41 1jh4 n ALA 13 Cb 0.43 -1.06 0.26 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.60 3.64 -4.06 0.00 2.88 -0.04 -4.95 113.62 110.49 1jh4 n SER 14 Ca 0.03 -1.98 -0.12 0.00 -1.33 0.00 0.00 58.87 55.46 1jh4 n SER 14 Cb 0.01 -0.37 -0.11 0.00 -0.75 0.00 0.00 64.21 62.99 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 -1.17 0.55 0.91 -1.46 0.00 -0.98 -5.04 121.76 114.57 1jh4 s ALA 15 Ca 0.42 -0.81 -0.23 0.00 0.00 0.00 0.00 51.96 51.34 1jh4 s ALA 15 Cb 0.23 0.08 -0.16 0.00 0.00 0.00 0.00 23.12 23.26 1jh4 s ALA 15 CO 0.30 -0.07 -1.27 -2.30 0.00 0.00 0.00 175.76 172.43 1jh4 n PRO 16 N 1.30 -0.03 0.00 0.00 -0.01 -1.26 -4.66 135.00 130.35 1jh4 n PRO 16 Ca -0.22 -0.01 -0.02 0.00 -0.01 0.00 0.00 63.50 63.24 1jh4 n PRO 16 Cb 0.55 -1.01 -0.02 0.00 -0.01 0.00 0.00 33.50 33.02 1jh4 n PRO 16 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 175.50 174.14 1jh4 h PRO 17 N -1.20 -0.10 0.00 0.52 0.11 -2.00 -1.82 132.00 127.52 1jh4 h PRO 17 Ca -0.32 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1jh4 h PRO 17 Cb 1.15 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jh4 h PRO 17 CO 0.17 -0.06 0.00 0.00 -0.21 0.00 0.00 178.00 177.90 1jh4 n GLN 18 N -3.00 0.02 -0.98 1.05 0.00 -1.26 -2.99 117.38 110.23 1jh4 n GLN 18 Ca -0.01 0.23 -0.19 0.00 0.00 0.00 0.00 57.00 57.03 1jh4 n GLN 18 Cb 0.06 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 28.83 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 -1.48 1.93 0.00 2.61 1.02 -0.68 -4.56 120.64 119.47 1jh4 n GLU 19 Ca 0.04 -1.78 0.00 0.00 -0.02 0.00 0.00 57.16 55.40 1jh4 n GLU 19 Cb 0.17 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 1jh4 n GLU 19 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1jh4 n GLN 20 N 0.29 0.00 0.00 3.49 6.02 -1.16 -3.92 117.38 122.10 1jh4 n GLN 20 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 1jh4 n GLN 20 Cb 0.58 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 31.15 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 -0.46 0.98 0.26 -1.09 5.02 -1.26 -4.21 118.16 117.39 1jh4 n LYS 21 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1jh4 n LYS 21 Cb 0.00 -1.36 -0.05 0.00 -0.02 0.00 0.00 35.03 33.60 1jh4 n LYS 21 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1jh4 h GLN 22 N 0.02 -0.64 0.00 1.97 4.15 -1.74 -3.10 115.11 115.76 1jh4 h GLN 22 Ca 0.00 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1jh4 h GLN 22 Cb 0.36 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1jh4 h GLN 22 CO 0.00 -0.43 0.00 -1.33 -1.93 0.00 0.00 178.83 175.14 1jh4 n MET 23 N -4.22 0.00 -0.21 1.69 2.81 -1.26 -3.57 117.12 112.35 1jh4 n MET 23 Ca -0.08 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.75 1jh4 n MET 23 Cb 0.26 -0.48 -0.01 0.00 -0.71 0.00 0.00 33.22 32.28 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 1.36 0.00 4.03 -0.00 -1.26 -4.90 117.00 116.24 1jh4 n LEU 24 Ca 0.00 -1.42 0.00 0.00 -0.00 0.00 0.00 56.01 54.59 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 -0.52 0.00 0.61 -0.00 0.00 0.00 177.39 177.48 1jh4 n GLY 25 N 3.65 0.48 0.00 1.47 0.00 -1.17 -4.20 105.19 105.42 1jh4 n GLY 25 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 2.65 0.00 -0.16 1.61 0.28 -1.25 -4.26 120.64 119.50 1jh4 n GLU 26 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1jh4 n GLU 26 Cb 0.00 -0.55 0.00 0.00 1.43 0.00 0.00 31.44 32.32 1jh4 n GLU 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1jh4 n ARG 27 N -0.40 0.00 0.13 3.44 5.12 -1.26 -4.87 116.66 118.82 1jh4 n ARG 27 Ca 0.00 -0.41 -0.23 0.00 -1.93 0.00 0.00 57.85 55.28 1jh4 n ARG 27 Cb 0.00 -0.31 -0.15 0.00 -1.16 0.00 0.00 32.46 30.84 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 0.74 -0.62 0.55 3.38 -1.90 -3.21 115.31 114.25 1jh4 h LEU 28 Ca 0.00 -0.82 0.06 0.00 0.09 0.00 0.00 57.88 57.20 1jh4 h LEU 28 Cb 1.08 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 1jh4 h LEU 28 CO 0.00 1.65 0.33 0.15 0.09 0.00 0.00 178.44 180.66 1jh4 h PHE 29 N 0.13 0.61 -0.28 1.13 3.57 -1.91 1.06 116.94 121.25 1jh4 h PHE 29 Ca -0.25 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1jh4 h PHE 29 Cb 2.13 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.67 1jh4 h PHE 29 CO 0.11 0.29 0.18 -1.35 -2.23 0.00 0.00 178.31 175.31 1jh4 h PRO 30 N 0.62 0.37 -0.34 6.41 0.11 -1.86 0.64 132.00 137.94 1jh4 h PRO 30 Ca 0.28 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.23 1jh4 h PRO 30 Cb 0.18 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1jh4 h PRO 30 CO -0.18 0.25 -0.31 -0.07 -0.21 0.00 0.00 178.00 177.47 1jh4 h LEU 31 N 0.38 0.87 -0.13 2.35 3.38 -1.40 -3.00 115.31 117.76 1jh4 h LEU 31 Ca 0.10 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1jh4 h LEU 31 Cb -0.04 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 1jh4 h LEU 31 CO -0.02 1.15 -0.03 -0.29 0.09 0.00 0.00 178.44 179.33 1jh4 h ILE 32 N 0.60 1.29 -0.96 1.22 -0.00 0.13 -2.76 117.51 117.03 1jh4 h ILE 32 Ca 0.06 -0.99 0.31 0.00 -0.00 0.00 0.00 64.86 64.24 1jh4 h ILE 32 Cb 0.89 1.69 -0.16 0.00 -0.00 0.00 0.00 36.82 39.24 1jh4 h ILE 32 CO 0.08 0.29 0.32 1.56 -0.00 0.00 0.00 178.15 180.39 1jh4 h GLN 33 N -0.07 0.12 -0.21 2.19 4.20 0.28 2.03 115.11 123.66 1jh4 h GLN 33 Ca 0.03 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1jh4 h GLN 33 Cb 0.46 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1jh4 h GLN 33 CO 0.01 0.08 0.11 0.00 -0.67 0.00 0.00 178.83 178.36 1jh4 h ALA 34 N 1.90 1.81 0.00 3.87 0.00 -1.34 -3.27 119.26 122.23 1jh4 h ALA 34 Ca 0.67 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 55.24 1jh4 h ALA 34 Cb 1.53 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 1jh4 h ALA 34 CO -0.75 0.16 -1.96 -1.33 0.00 0.00 0.00 179.25 175.38 1jh4 n MET 35 N -4.48 0.57 -3.48 0.00 2.81 0.48 -5.03 117.12 107.98 1jh4 n MET 35 Ca 0.00 0.27 -0.20 0.00 -1.81 0.00 0.00 57.70 55.97 1jh4 n MET 35 Cb 0.09 -1.50 0.08 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 -4.33 -2.45 0.00 2.03 8.25 0.57 -4.97 115.22 114.33 1jh4 n HIS 36 Ca -0.40 0.96 0.00 0.00 -0.26 0.00 0.00 57.72 58.01 1jh4 n HIS 36 Cb 0.75 -5.00 0.00 0.00 1.12 0.00 0.00 29.99 26.86 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 -4.44 0.00 -0.01 -0.41 -0.04 -1.26 -4.67 135.00 124.17 1jh4 n PRO 37 Ca -0.16 0.24 -0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1jh4 n PRO 37 Cb 0.62 -1.17 -0.00 0.00 -0.04 0.00 0.00 33.50 32.91 1jh4 n PRO 37 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1jh4 h THR 38 N 0.00 0.00 -0.47 0.52 1.35 -1.93 -3.49 112.91 108.89 1jh4 h THR 38 Ca 0.00 -0.10 0.20 0.00 -0.55 0.00 0.00 66.41 65.96 1jh4 h THR 38 Cb 0.00 0.00 -0.21 0.00 -1.73 0.00 0.00 68.15 66.21 1jh4 h THR 38 CO 0.00 0.00 0.01 -0.22 -0.25 0.00 0.00 175.52 175.06 1jh4 s LEU 39 N -4.71 -0.68 0.00 3.87 0.20 -1.26 -5.12 118.68 110.98 1jh4 s LEU 39 Ca -0.01 0.34 -0.06 0.00 0.69 0.00 0.00 54.13 55.08 1jh4 s LEU 39 Cb 0.00 1.53 0.10 0.00 -0.43 0.00 0.00 46.19 47.40 1jh4 s LEU 39 CO 0.01 -0.13 0.23 0.00 -0.29 0.00 0.00 176.35 176.18 1jh4 n ALA 40 N 5.40 -1.39 -0.27 5.97 0.00 -1.26 -1.86 120.51 127.10 1jh4 n ALA 40 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1jh4 n ALA 40 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1jh4 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jh4 n GLY 41 N -0.86 0.41 0.27 0.00 0.00 -1.26 -3.39 105.19 100.36 1jh4 n GLY 41 Ca 0.04 0.22 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 1jh4 n GLY 41 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jh4 h LYS 42 N 0.00 0.93 -0.92 1.61 3.11 -2.01 -2.86 116.57 116.44 1jh4 h LYS 42 Ca 0.00 -0.46 0.16 0.00 -2.81 0.00 0.00 60.65 57.54 1jh4 h LYS 42 Cb 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 31.15 1jh4 h LYS 42 CO 0.00 1.12 0.59 0.97 -2.81 0.00 0.00 179.45 179.32 1jh4 h ILE 43 N 0.78 0.80 -0.67 2.00 2.10 -1.38 -0.26 117.51 120.87 1jh4 h ILE 43 Ca 0.08 -0.23 0.06 0.00 1.08 0.00 0.00 64.86 65.84 1jh4 h ILE 43 Cb 0.92 0.06 -0.05 0.00 -1.09 0.00 0.00 36.82 36.65 1jh4 h ILE 43 CO 0.09 0.12 0.37 0.74 -1.08 0.00 0.00 178.15 178.39 1jh4 h THR 44 N 0.68 0.97 -0.54 2.19 2.02 -1.77 -1.17 112.91 115.29 1jh4 h THR 44 Ca 0.47 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 67.49 1jh4 h THR 44 Cb 0.80 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1jh4 h THR 44 CO -0.23 0.13 0.36 1.23 0.37 0.00 0.00 175.52 177.38 1jh4 h GLY 45 N 0.69 0.55 0.41 2.16 0.00 -1.09 -0.69 103.07 105.11 1jh4 h GLY 45 Ca 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1jh4 h GLY 45 CO -0.18 0.12 -0.16 -0.33 0.00 0.00 0.00 176.54 175.99 1jh4 h MET 46 N 0.43 -0.43 0.00 4.80 2.07 -1.19 -3.12 114.93 117.50 1jh4 h MET 46 Ca 0.24 0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.90 1jh4 h MET 46 Cb 0.39 0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.22 1jh4 h MET 46 CO -0.06 -0.17 0.10 -0.07 1.07 0.00 0.00 176.91 177.78 1jh4 h LEU 47 N -1.04 0.00 -0.73 1.22 -0.00 -1.10 -2.89 115.31 110.77 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 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1jh4 h LEU 47 CO 0.07 0.00 0.00 -0.11 -0.00 0.00 0.00 178.44 178.40 1jh4 n LEU 48 N -2.69 0.00 0.00 1.67 7.94 -0.29 -3.01 117.00 120.62 1jh4 n LEU 48 Ca -0.02 -0.00 0.10 0.00 -1.11 0.00 0.00 56.01 54.98 1jh4 n LEU 48 Cb 0.15 -0.00 0.47 0.00 0.53 0.00 0.00 43.42 44.56 1jh4 n LEU 48 CO 0.14 0.00 0.84 1.21 -1.11 0.00 0.00 177.39 178.47 1jh4 n GLU 49 N 0.23 0.07 -3.78 1.96 0.00 -1.09 -4.80 120.64 113.22 1jh4 n GLU 49 Ca 0.00 0.13 -0.22 0.00 0.00 0.00 0.00 57.16 57.06 1jh4 n GLU 49 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 29.89 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 -2.91 2.60 0.31 6.31 2.07 -1.17 -5.11 121.20 123.31 1jh4 s ILE 50 Ca 0.12 -1.47 -0.28 0.00 -1.41 0.00 0.00 60.65 57.61 1jh4 s ILE 50 Cb 0.14 -3.01 -0.09 0.00 0.13 0.00 0.00 42.46 39.63 1jh4 s ILE 50 CO 0.37 -0.02 1.09 -0.62 -1.91 0.00 0.00 174.94 173.86 1jh4 s ASP 51 N -4.04 7.15 0.62 4.50 2.15 -1.26 -4.90 116.67 120.89 1jh4 s ASP 51 Ca 0.45 2.23 0.24 0.00 0.43 0.00 0.00 52.55 55.90 1jh4 s ASP 51 Cb -0.01 -2.62 1.09 0.00 -0.30 0.00 0.00 42.92 41.09 1jh4 s ASP 51 CO 0.26 -0.22 1.57 -1.13 -0.17 0.00 0.00 175.17 175.48 1jh4 h ASN 52 N 3.53 0.00 0.71 -0.34 -0.73 -1.99 0.38 115.58 117.15 1jh4 h ASN 52 Ca -0.47 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 57.61 1jh4 h ASN 52 Cb 1.21 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.79 1jh4 h ASN 52 CO 0.66 0.00 -0.43 0.28 -0.37 0.00 0.00 177.43 177.57 1jh4 h SER 53 N 0.00 0.00 0.28 1.15 0.02 -2.01 -3.07 113.55 109.92 1jh4 h SER 53 Ca 0.22 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.90 1jh4 h SER 53 Cb 1.73 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.29 1jh4 h SER 53 CO -0.00 0.43 -1.10 -0.33 -1.14 0.00 0.00 176.83 174.68 1jh4 h GLU 54 N 0.00 0.49 -0.79 3.45 4.39 -0.59 -3.13 114.58 118.40 1jh4 h GLU 54 Ca -0.00 -0.61 -0.01 0.00 0.34 0.00 0.00 59.36 59.08 1jh4 h GLU 54 Cb 0.90 0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.70 1jh4 h GLU 54 CO 0.06 1.24 0.44 -0.07 -1.16 0.00 0.00 179.01 179.51 1jh4 h LEU 55 N 0.24 0.97 -0.96 1.33 4.07 -1.56 -1.16 115.31 118.25 1jh4 h LEU 55 Ca -0.13 -0.07 -0.05 0.00 0.08 0.00 0.00 57.88 57.70 1jh4 h LEU 55 Cb 1.77 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 43.23 1jh4 h LEU 55 CO 0.20 0.77 0.18 -0.07 -1.08 0.00 0.00 178.44 178.44 1jh4 h LEU 56 N 1.10 0.87 -0.94 1.67 4.07 -1.57 -1.77 115.31 118.75 1jh4 h LEU 56 Ca 0.28 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 1jh4 h LEU 56 Cb 0.01 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 41.48 1jh4 h LEU 56 CO -0.05 0.83 0.56 0.45 -1.08 0.00 0.00 178.44 179.15 1jh4 h HIS 57 N 0.90 1.24 -0.54 1.13 3.86 -1.19 -2.42 115.15 118.14 1jh4 h HIS 57 Ca 0.20 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1jh4 h HIS 57 Cb 0.28 -0.41 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 1jh4 h HIS 57 CO 0.02 0.83 0.32 0.52 0.86 0.00 0.00 177.93 180.48 1jh4 h MET 58 N 1.29 0.73 0.00 2.45 2.86 -0.46 0.78 114.93 122.58 1jh4 h MET 58 Ca 0.33 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1jh4 h MET 58 Cb -0.04 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.47 1jh4 h MET 58 CO -0.06 0.54 -0.01 1.25 1.06 0.00 0.00 176.91 179.69 1jh4 h LEU 59 N 0.72 0.00 -1.50 1.22 6.46 -0.91 -1.43 115.31 119.87 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 -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1jh4 h LEU 59 CO -0.04 0.01 -0.06 -1.84 -0.62 0.00 0.00 178.44 175.89 1jh4 n GLU 60 N -4.37 1.37 -3.38 1.25 -0.00 -0.82 -4.77 120.64 109.91 1jh4 n GLU 60 Ca -0.03 -1.36 -0.24 0.00 -0.00 0.00 0.00 57.16 55.54 1jh4 n GLU 60 Cb 0.09 -1.31 -0.10 0.00 -0.00 0.00 0.00 31.44 30.13 1jh4 n GLU 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1jh4 s SER 61 N -1.46 1.84 0.53 -1.84 0.15 0.26 -5.00 113.70 108.19 1jh4 s SER 61 Ca 0.18 -2.23 0.31 0.00 0.70 0.00 0.00 55.95 54.92 1jh4 s SER 61 Cb 0.14 -0.02 1.47 0.00 -1.71 0.00 0.00 66.02 65.89 1jh4 s SER 61 CO 0.24 -0.25 1.88 -0.65 1.20 0.00 0.00 173.24 175.67 1jh4 h PRO 62 N 6.57 0.02 -0.24 5.44 0.11 -1.82 -0.94 132.00 141.14 1jh4 h PRO 62 Ca 0.11 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.28 1jh4 h PRO 62 Cb 0.99 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.03 1jh4 h PRO 62 CO 0.26 0.01 -0.14 1.05 -0.21 0.00 0.00 178.00 178.97 1jh4 h GLU 63 N 0.02 -0.12 0.00 1.05 4.11 -1.94 0.48 114.58 118.18 1jh4 h GLU 63 Ca 0.44 0.01 -0.21 0.00 0.07 0.00 0.00 59.36 59.67 1jh4 h GLU 63 Cb 1.73 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.97 1jh4 h GLU 63 CO -0.01 -0.08 -1.05 0.77 0.07 0.00 0.00 179.01 178.70 1jh4 h SER 64 N -0.12 0.00 0.33 3.06 0.02 -1.65 -2.98 113.55 112.20 1jh4 h SER 64 Ca 0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1jh4 h SER 64 Cb 0.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1jh4 h SER 64 CO -0.32 0.91 -0.25 0.25 -1.14 0.00 0.00 176.83 176.28 1jh4 h LEU 65 N 0.00 -0.67 -1.71 5.07 6.46 -0.60 -1.98 115.31 121.88 1jh4 h LEU 65 Ca -0.06 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1jh4 h LEU 65 Cb 1.74 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 41.88 1jh4 h LEU 65 CO 0.11 -0.36 -0.14 -0.09 -0.62 0.00 0.00 178.44 177.34 1jh4 h ARG 66 N -0.56 0.00 -0.52 1.25 2.43 -1.07 -2.36 114.38 113.55 1jh4 h ARG 66 Ca -0.04 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1jh4 h ARG 66 Cb 0.47 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 1jh4 h ARG 66 CO 0.01 0.14 0.24 0.77 -1.51 0.00 0.00 179.97 179.62 1jh4 h SER 67 N 0.00 0.32 0.00 -3.80 0.02 -1.31 0.33 113.55 109.12 1jh4 h SER 67 Ca -0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1jh4 h SER 67 Cb 0.25 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1jh4 h SER 67 CO 0.02 0.22 -0.00 0.11 -1.14 0.00 0.00 176.83 176.04 1jh4 h LYS 68 N 0.46 -0.00 0.14 3.45 1.57 -1.11 -3.01 116.57 118.08 1jh4 h LYS 68 Ca 0.24 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1jh4 h LYS 68 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1jh4 h LYS 68 CO -0.19 0.89 -0.22 0.28 -0.57 0.00 0.00 179.45 179.64 1jh4 h VAL 69 N -0.96 0.52 -0.14 0.50 2.07 -1.40 0.11 116.25 116.94 1jh4 h VAL 69 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1jh4 h VAL 69 Cb 0.89 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 1jh4 h VAL 69 CO 0.00 0.00 -0.27 -0.78 0.02 0.00 0.00 177.57 176.54 1jh4 h ASP 70 N -0.42 -0.84 0.51 0.57 1.82 -0.49 0.19 116.42 117.75 1jh4 h ASP 70 Ca 0.02 0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 1jh4 h ASP 70 Cb 0.43 0.37 -0.02 0.00 0.68 0.00 0.00 39.33 40.79 1jh4 h ASP 70 CO -0.10 -0.32 -0.50 -0.33 -1.61 0.00 0.00 179.24 176.38 1jh4 h GLU 71 N -0.33 -0.98 -0.60 0.28 3.07 -1.36 -2.08 114.58 112.58 1jh4 h GLU 71 Ca 0.10 0.07 0.12 0.00 -0.50 0.00 0.00 59.36 59.15 1jh4 h GLU 71 Cb 0.49 0.22 -0.11 0.00 -0.84 0.00 0.00 28.75 28.51 1jh4 h GLU 71 CO -0.33 -0.65 -0.13 0.00 -1.40 0.00 0.00 179.01 176.50 1jh4 h ALA 72 N -0.86 0.43 -0.97 3.43 0.00 -0.52 0.26 119.26 121.03 1jh4 h ALA 72 Ca -0.06 0.23 0.21 0.00 0.00 0.00 0.00 54.91 55.28 1jh4 h ALA 72 Cb 0.88 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 1jh4 h ALA 72 CO -0.06 -0.43 0.62 0.28 0.00 0.00 0.00 179.25 179.67 1jh4 h VAL 73 N 0.01 0.67 0.30 0.00 2.07 -0.26 1.26 116.25 120.30 1jh4 h VAL 73 Ca 0.29 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1jh4 h VAL 73 Cb 0.45 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1jh4 h VAL 73 CO -0.60 0.10 -0.14 0.00 0.02 0.00 0.00 177.57 176.94 1jh4 h ALA 74 N 1.62 -0.43 0.64 1.67 0.00 0.12 -2.86 119.26 120.02 1jh4 h ALA 74 Ca 0.54 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 1jh4 h ALA 74 Cb 1.12 0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1jh4 h ALA 74 CO -0.28 -0.40 -0.31 -0.24 0.00 0.00 0.00 179.25 178.03 1jh4 h VAL 75 N -1.03 0.00 -0.03 0.00 3.04 -0.46 -2.64 116.25 115.13 1jh4 h VAL 75 Ca -0.04 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.68 1jh4 h VAL 75 Cb 0.31 0.00 -0.06 0.00 -2.01 0.00 0.00 31.29 29.53 1jh4 h VAL 75 CO 0.07 0.00 -0.46 0.25 -1.01 0.00 0.00 177.57 176.42 1jh4 h LEU 76 N -0.86 -1.42 -1.77 3.16 7.12 0.14 0.33 115.31 122.01 1jh4 h LEU 76 Ca -0.09 0.17 0.15 0.00 0.13 0.00 0.00 57.88 58.25 1jh4 h LEU 76 Cb 0.66 0.55 -0.02 0.00 -0.53 0.00 0.00 40.66 41.32 1jh4 h LEU 76 CO 0.14 -0.47 0.61 -0.61 -0.13 0.00 0.00 178.44 177.98 1jh4 h GLN 77 N -0.59 0.00 0.18 1.25 -0.00 -1.52 0.86 115.11 115.29 1jh4 h GLN 77 Ca 0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.38 1jh4 h GLN 77 Cb 0.67 0.00 0.02 0.00 0.00 0.00 0.00 27.48 28.17 1jh4 h GLN 77 CO -0.35 0.00 -1.46 0.00 0.00 0.00 0.00 178.83 177.02 1jh4 h ALA 78 N 1.27 0.04 0.52 3.38 0.00 -0.11 -3.37 119.26 121.00 1jh4 h ALA 78 Ca 0.25 -0.96 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 1jh4 h ALA 78 Cb 1.48 0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.46 1jh4 h ALA 78 CO -0.00 0.91 -0.25 0.45 0.00 0.00 0.00 179.25 180.36 1jh4 h HIS 79 N 0.10 -0.65 0.00 0.00 3.86 0.34 -3.27 115.15 115.54 1jh4 h HIS 79 Ca -0.23 -0.02 -0.60 0.00 -1.16 0.00 0.00 60.37 58.36 1jh4 h HIS 79 Cb 2.07 0.21 0.02 0.00 1.06 0.00 0.00 27.41 30.78 1jh4 h HIS 79 CO 0.09 -0.40 3.39 0.94 0.86 0.00 0.00 177.93 182.81 1jh4 n GLN 80 N -4.33 3.41 0.09 2.45 0.00 -0.54 -4.53 117.38 113.93 1jh4 n GLN 80 Ca -0.09 -2.03 0.11 0.00 -0.00 0.00 0.00 57.00 55.00 1jh4 n GLN 80 Cb 0.28 -2.70 0.45 0.00 0.00 0.00 0.00 30.24 28.27 1jh4 n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jh4 n ALA 81 N 3.54 1.88 -2.36 1.69 0.00 -1.23 -4.45 120.51 119.59 1jh4 n ALA 81 Ca 0.73 0.01 -0.36 0.00 0.00 0.00 0.00 53.44 53.82 1jh4 n ALA 81 Cb 0.28 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 1jh4 n ALA 81 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jh4 s LYS 82 N -3.17 3.32 0.00 0.00 3.01 -1.26 -4.78 119.74 116.86 1jh4 s LYS 82 Ca 0.07 -1.50 0.00 0.00 -1.01 0.00 0.00 55.97 53.54 1jh4 s LYS 82 Cb 0.11 -5.38 0.00 0.00 -1.01 0.00 0.00 37.83 31.55 1jh4 s LYS 82 CO 0.43 -2.94 0.26 0.39 0.51 0.00 0.00 175.35 174.00 1jh4 n GLU 83 N 8.44 0.00 0.33 1.68 -0.58 -1.26 -3.84 120.64 125.41 1jh4 n GLU 83 Ca 0.45 0.45 0.22 0.00 -0.42 0.00 0.00 57.16 57.86 1jh4 n GLU 83 Cb 0.47 -1.09 1.17 0.00 -0.57 0.00 0.00 31.44 31.41 1jh4 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jh4 h ALA 84 N -2.00 1.05 -1.49 0.62 0.00 -1.99 -3.40 119.26 112.05 1jh4 h ALA 84 Ca 0.00 -0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1jh4 h ALA 84 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jh4 h ALA 84 CO 0.00 0.00 1.44 0.00 0.00 0.00 0.00 179.25 180.70 1jh4 s ALA 85 N -4.17 1.80 -1.57 0.00 0.00 -1.25 -4.85 121.76 111.73 1jh4 s ALA 85 Ca -0.05 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.49 1jh4 s ALA 85 Cb 0.13 -4.35 -0.05 0.00 0.00 0.00 0.00 23.12 18.86 1jh4 s ALA 85 CO 0.43 -4.31 2.77 0.00 0.00 0.00 0.00 175.76 174.65 1jh4 n GLN 86 N 9.07 3.57 0.00 0.00 10.64 -1.26 -4.38 117.38 135.02 1jh4 n GLN 86 Ca 0.31 -2.37 0.02 0.00 -1.83 0.00 0.00 57.00 53.13 1jh4 n GLN 86 Cb 0.53 -2.90 -0.11 0.00 -0.86 0.00 0.00 30.24 26.90 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 4.03 0.64 -1.07 2.61 3.00 -1.26 -4.65 118.16 121.46 1jh4 n LYS 87 Ca 0.72 0.05 -0.42 0.00 -0.00 0.00 0.00 58.31 58.66 1jh4 n LYS 87 Cb 0.27 -1.67 -0.06 0.00 0.00 0.00 0.00 35.03 33.56 1jh4 n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jh4 n ALA 88 N -2.41 3.19 1.10 3.14 0.00 -1.26 -4.56 120.51 119.70 1jh4 n ALA 88 Ca -0.12 -3.18 0.14 0.00 0.00 0.00 0.00 53.44 50.28 1jh4 n ALA 88 Cb 0.81 -3.61 0.62 0.00 0.00 0.00 0.00 19.45 17.27 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 5.97 0.00 -0.31 0.00 0.24 -1.26 -3.59 118.33 119.38 1jh4 n VAL 89 Ca 0.49 -0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.65 1jh4 n VAL 89 Cb 0.39 -0.42 0.09 0.00 -1.47 0.00 0.00 33.84 32.43 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 -1.44 3.76 0.08 -1.34 4.13 -1.26 -4.24 115.26 114.95 1jh4 n ASN 90 Ca 0.09 -2.92 -0.12 0.00 1.68 0.00 0.00 54.58 53.31 1jh4 n ASN 90 Cb 0.32 -0.73 -0.03 0.00 -1.54 0.00 0.00 39.78 37.80 1jh4 n ASN 90 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1jh4 h SER 91 N 0.66 0.42 -3.73 6.41 0.02 -1.96 -3.45 113.55 111.91 1jh4 h SER 91 Ca 0.35 -0.34 -0.52 0.00 -0.84 0.00 0.00 61.79 60.44 1jh4 h SER 91 Cb 1.91 -0.13 0.04 0.00 0.14 0.00 0.00 62.40 64.37 1jh4 h SER 91 CO 0.64 1.15 0.59 0.00 -1.14 0.00 0.00 176.83 178.07 1jh4 s ALA 92 N -3.21 3.48 -0.85 3.77 0.00 -1.26 -4.98 121.76 118.71 1jh4 s ALA 92 Ca -0.05 1.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.91 1jh4 s ALA 92 Cb 0.09 -3.44 0.22 0.00 0.00 0.00 0.00 23.12 20.00 1jh4 s ALA 92 CO 0.85 -0.47 0.78 0.95 0.00 0.00 0.00 175.76 177.87 1jh4 s THR 93 N -0.81 5.47 -1.22 0.00 -4.23 -1.26 -4.94 115.64 108.64 1jh4 s THR 93 Ca 0.50 -2.68 -0.04 0.00 -1.18 0.00 0.00 61.69 58.29 1jh4 s THR 93 Cb -0.37 -4.37 0.18 0.00 1.34 0.00 0.00 72.50 69.28 1jh4 s THR 93 CO 0.46 -1.04 2.22 0.61 -0.54 0.00 0.00 174.62 176.33 1jh4 n GLY 94 N 3.72 5.49 3.35 3.99 0.00 -1.26 -4.92 105.19 115.56 1jh4 n GLY 94 Ca 0.15 -2.21 -0.45 0.00 0.00 0.00 0.00 46.02 43.50 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 -2.15 5.03 -0.15 1.61 -7.23 -1.26 -5.03 120.40 111.21 1jh4 s VAL 95 Ca 0.50 -1.36 -0.29 0.00 -1.81 0.00 0.00 61.98 59.02 1jh4 s VAL 95 Cb 0.19 -4.46 -0.04 0.00 0.56 0.00 0.00 36.38 32.63 1jh4 s VAL 95 CO -0.11 -1.06 1.62 -2.16 -0.31 0.00 0.00 175.10 173.09 1jh4 s PRO 96 N 2.05 3.97 0.02 4.82 0.04 -1.26 -4.88 135.00 139.76 1jh4 s PRO 96 Ca 0.11 1.90 0.12 0.00 0.04 0.00 0.00 61.00 63.17 1jh4 s PRO 96 Cb -0.23 -4.00 -0.20 0.00 0.04 0.00 0.00 34.50 30.11 1jh4 s PRO 96 CO 0.03 -1.09 0.83 1.79 0.04 0.00 0.00 177.00 178.60 1jh4 h THR 97 N 5.88 0.93 -0.00 1.26 1.35 -2.02 -3.57 112.91 116.75 1jh4 h THR 97 Ca -0.36 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 62.82 1jh4 h THR 97 Cb 1.16 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 70.01 1jh4 h THR 97 CO 0.98 0.53 0.00 0.52 -0.25 0.00 0.00 175.52 177.30