#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jq8 h LEU 2 N 0.00 0.00 -0.13 1.04 5.85 -1.80 -1.57 115.31 118.70 1jq8 h LEU 2 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1jq8 h LEU 2 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1jq8 h LEU 2 CO 0.00 0.07 0.02 -0.07 -0.34 0.00 0.00 178.44 178.12 1jq8 h LEU 3 N 0.00 0.20 0.05 2.25 3.38 -1.97 0.43 115.31 119.65 1jq8 h LEU 3 Ca -0.00 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1jq8 h LEU 3 Cb 0.40 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1jq8 h LEU 3 CO 0.01 0.40 -0.03 -0.33 0.09 0.00 0.00 178.44 178.58 1jq8 h GLU 4 N -0.01 -0.07 -0.84 1.13 3.07 -1.87 -2.35 114.58 113.63 1jq8 h GLU 4 Ca 0.04 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.93 1jq8 h GLU 4 Cb 0.28 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.16 1jq8 h GLU 4 CO 0.00 0.37 0.55 0.35 -1.40 0.00 0.00 179.01 178.88 1jq8 h PHE 5 N -0.54 1.03 -0.18 4.33 3.57 -1.32 -1.61 116.94 122.23 1jq8 h PHE 5 Ca -0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1jq8 h PHE 5 Cb 0.48 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1jq8 h PHE 5 CO 0.08 0.61 -0.13 0.78 -2.23 0.00 0.00 178.31 177.42 1jq8 h GLY 6 N 1.08 0.31 1.13 2.40 0.00 -0.15 -1.25 103.07 106.59 1jq8 h GLY 6 Ca 0.33 -0.19 -0.17 0.00 0.00 0.00 0.00 47.33 47.29 1jq8 h GLY 6 CO -0.10 0.18 -0.47 1.70 0.00 0.00 0.00 176.54 177.85 1jq8 h LYS 7 N 0.27 0.90 -0.38 4.80 3.64 -0.76 -1.85 116.57 123.18 1jq8 h LYS 7 Ca 0.05 -0.53 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 1jq8 h LYS 7 Cb 0.41 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1jq8 h LYS 7 CO 0.02 1.17 0.16 0.52 -2.27 0.00 0.00 179.45 179.05 1jq8 h MET 8 N 0.69 0.57 -0.40 1.90 2.86 -0.98 -1.28 114.93 118.29 1jq8 h MET 8 Ca 0.03 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1jq8 h MET 8 Cb 1.08 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1jq8 h MET 8 CO 0.11 0.54 0.26 0.82 1.06 0.00 0.00 176.91 179.70 1jq8 h ILE 9 N 0.48 1.08 -0.60 -1.22 2.04 -1.17 0.27 117.51 118.39 1jq8 h ILE 9 Ca 0.13 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1jq8 h ILE 9 Cb 0.18 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1jq8 h ILE 9 CO -0.01 0.10 0.27 0.25 0.00 0.00 0.00 178.15 178.75 1jq8 h LEU 10 N 0.53 0.81 -0.97 1.44 5.85 -1.19 0.11 115.31 121.89 1jq8 h LEU 10 Ca 0.15 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1jq8 h LEU 10 Cb -0.04 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 1jq8 h LEU 10 CO -0.04 0.73 -0.27 -0.33 -0.34 0.00 0.00 178.44 178.18 1jq8 h GLU 11 N 0.83 0.42 0.03 1.25 5.08 -0.92 -0.51 114.58 120.76 1jq8 h GLU 11 Ca 0.20 -0.16 -0.30 0.00 -1.00 0.00 0.00 59.36 58.10 1jq8 h GLU 11 Cb 0.16 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1jq8 h GLU 11 CO -0.02 0.66 -1.73 0.93 -1.00 0.00 0.00 179.01 177.85 1jq8 h GLU 12 N 0.37 0.06 0.00 2.33 4.39 -0.73 -3.42 114.58 117.59 1jq8 h GLU 12 Ca 0.05 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1jq8 h GLU 12 Cb 0.68 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1jq8 h GLU 12 CO 0.05 0.67 -1.32 0.25 -1.16 0.00 0.00 179.01 177.50 1jq8 n THR 13 N -3.16 0.01 -0.93 1.13 -2.24 0.37 -4.70 114.28 104.77 1jq8 n THR 13 Ca -0.19 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1jq8 n THR 13 Cb 1.05 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 1jq8 n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jq8 n GLY 14 N 2.12 0.67 3.65 3.38 0.00 -0.20 -5.03 105.19 109.78 1jq8 n GLY 14 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1jq8 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jq8 s LYS 16 N -0.07 2.35 -0.07 1.61 1.02 -1.26 -5.01 119.74 118.30 1jq8 s LYS 16 Ca 0.00 -1.25 -0.20 0.00 0.02 0.00 0.00 55.97 54.54 1jq8 s LYS 16 Cb 0.00 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 1jq8 s LYS 16 CO 0.00 0.41 0.56 -0.51 -0.92 0.00 0.00 175.35 174.89 1jq8 s LEU 17 N -3.29 4.33 0.26 3.17 1.43 -1.26 -3.40 118.68 119.92 1jq8 s LEU 17 Ca 0.29 0.99 -0.03 0.00 -1.03 0.00 0.00 54.13 54.35 1jq8 s LEU 17 Cb -0.08 -2.84 0.55 0.00 0.03 0.00 0.00 46.19 43.85 1jq8 s LEU 17 CO 0.19 0.01 1.65 0.00 0.23 0.00 0.00 176.35 178.43 1jq8 h ALA 18 N 6.40 1.00 -3.11 4.21 0.00 -1.94 -2.66 119.26 123.16 1jq8 h ALA 18 Ca -0.42 0.22 -0.65 0.00 0.00 0.00 0.00 54.91 54.06 1jq8 h ALA 18 Cb 1.19 0.35 -0.24 0.00 0.00 0.00 0.00 17.79 19.09 1jq8 h ALA 18 CO 0.74 -0.42 -0.67 0.42 0.00 0.00 0.00 179.25 179.31 1jq8 s ILE 19 N -6.04 3.83 -0.86 0.00 1.01 -1.26 -0.84 121.20 117.05 1jq8 s ILE 19 Ca -0.13 -0.35 0.23 0.00 0.00 0.00 0.00 60.65 60.40 1jq8 s ILE 19 Cb 0.23 -2.73 -0.11 0.00 0.01 0.00 0.00 42.46 39.87 1jq8 s ILE 19 CO 0.76 0.43 1.13 -0.81 0.00 0.00 0.00 174.94 176.45 1jq8 n PRO 20 N 4.30 0.10 -0.26 2.79 -0.04 -1.24 -4.96 135.00 135.70 1jq8 n PRO 20 Ca -0.17 -0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.47 1jq8 n PRO 20 Cb 0.52 -1.53 0.50 0.00 -0.04 0.00 0.00 33.50 32.94 1jq8 n PRO 20 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1jq8 h SER 21 N 0.00 0.44 0.00 3.54 0.02 -1.48 -2.90 113.55 113.16 1jq8 h SER 21 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1jq8 h SER 21 Cb 0.58 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1jq8 h SER 21 CO 0.00 0.17 -0.07 -1.22 -1.14 0.00 0.00 176.83 174.57 1jq8 n TYR 22 N -4.53 0.00 0.53 3.45 4.01 -0.02 -4.65 117.16 115.96 1jq8 n TYR 22 Ca 0.20 -0.60 0.06 0.00 -0.16 0.00 0.00 57.90 57.39 1jq8 n TYR 22 Cb 0.70 -0.09 -0.04 0.00 -0.31 0.00 0.00 39.34 39.60 1jq8 n TYR 22 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1jq8 n SER 23 N -0.80 0.86 -3.00 7.72 3.41 -0.96 -3.44 113.62 117.41 1jq8 n SER 23 Ca 0.07 -0.93 -0.16 0.00 -0.26 0.00 0.00 58.87 57.59 1jq8 n SER 23 Cb 0.52 0.79 -0.00 0.00 -0.26 0.00 0.00 64.21 65.25 1jq8 n SER 23 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jq8 n SER 24 N -0.84 -0.86 -3.70 4.04 3.41 -1.04 -4.14 113.62 110.49 1jq8 n SER 24 Ca 0.03 -3.09 -0.16 0.00 -0.26 0.00 0.00 58.87 55.39 1jq8 n SER 24 Cb 0.21 0.41 -0.16 0.00 -0.26 0.00 0.00 64.21 64.41 1jq8 n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1jq8 s TYR 25 N -0.77 -0.12 0.00 7.33 6.14 -0.89 -0.72 117.35 128.33 1jq8 s TYR 25 Ca 0.33 0.48 0.00 0.00 0.64 0.00 0.00 57.07 58.52 1jq8 s TYR 25 Cb 0.25 -0.23 0.00 0.00 0.42 0.00 0.00 41.96 42.40 1jq8 s TYR 25 CO -0.13 -0.21 0.00 0.41 0.64 0.00 0.00 175.55 176.26 1jq8 n GLY 26 N 4.85 0.65 0.08 8.97 0.00 0.77 -2.27 105.19 118.25 1jq8 n GLY 26 Ca -0.14 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.03 1jq8 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jq8 n TYR 28 N -3.00 0.00 -2.59 0.00 4.01 -1.26 -3.36 117.16 110.96 1jq8 n TYR 28 Ca -0.16 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.17 1jq8 n TYR 28 Cb 1.01 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.94 1jq8 n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jq8 n GLY 30 N 6.74 0.04 0.41 0.00 0.00 -1.22 -2.08 105.19 109.08 1jq8 n GLY 30 Ca 0.32 -0.55 0.05 0.00 0.00 0.00 0.00 46.02 45.83 1jq8 n GLY 30 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1jq8 n TRP 31 N 0.00 0.00 -0.00 1.61 8.01 -1.26 -4.87 117.44 120.92 1jq8 n TRP 31 Ca 0.00 -0.61 -0.12 0.00 -1.31 0.00 0.00 57.50 55.46 1jq8 n TRP 31 Cb 0.00 -0.12 -0.10 0.00 -2.01 0.00 0.00 31.31 29.08 1jq8 n TRP 31 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.69 177.46 1jq8 h GLY 32 N 0.18 -0.08 -6.21 6.99 0.00 -1.84 -3.48 103.07 98.63 1jq8 h GLY 32 Ca -0.02 0.03 -0.44 0.00 0.00 0.00 0.00 47.33 46.90 1jq8 h GLY 32 CO 0.01 -0.03 -0.85 0.61 0.00 0.00 0.00 176.54 176.28 1jq8 n GLY 33 N 0.78 -0.27 3.54 4.60 0.00 -1.22 -4.99 105.19 107.62 1jq8 n GLY 33 Ca -0.08 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1jq8 n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jq8 s LYS 34 N -6.14 0.69 0.00 1.61 2.20 -1.26 -4.99 119.74 111.85 1jq8 s LYS 34 Ca 0.00 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 56.58 1jq8 s LYS 34 Cb -0.00 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 1jq8 s LYS 34 CO 0.83 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 176.12 1jq8 n GLY 35 N 3.36 -1.57 3.54 5.54 0.00 -0.15 -4.50 105.19 111.41 1jq8 n GLY 35 Ca -0.17 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.44 1jq8 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jq8 s THR 36 N 0.00 4.52 0.24 2.61 2.01 -1.26 -4.58 115.64 119.17 1jq8 s THR 36 Ca 0.00 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.58 1jq8 s THR 36 Cb 0.00 -3.07 -0.15 0.00 0.01 0.00 0.00 72.50 69.29 1jq8 s THR 36 CO 0.00 0.40 1.11 -2.65 -0.69 0.00 0.00 174.62 172.80 1jq8 n PRO 37 N 4.19 1.34 0.08 4.92 -0.02 -1.26 -4.80 135.00 139.46 1jq8 n PRO 37 Ca -0.16 0.48 -0.20 0.00 -2.02 0.00 0.00 63.50 61.60 1jq8 n PRO 37 Cb 0.52 -1.93 -0.11 0.00 -0.02 0.00 0.00 33.50 31.96 1jq8 n PRO 37 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1jq8 h LYS 38 N 2.80 0.56 0.00 -0.52 1.79 -1.97 -3.47 116.57 115.77 1jq8 h LYS 38 Ca -0.42 -0.71 0.00 0.00 -2.18 0.00 0.00 60.65 57.35 1jq8 h LYS 38 Cb 1.33 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 32.21 1jq8 h LYS 38 CO 0.66 1.30 0.00 -0.40 -1.08 0.00 0.00 179.45 179.93 1jq8 n ASP 39 N -3.76 0.00 -0.15 0.86 5.75 -1.26 -5.01 116.55 112.98 1jq8 n ASP 39 Ca -0.11 -0.84 -0.07 0.00 -0.01 0.00 0.00 54.79 53.76 1jq8 n ASP 39 Cb 0.94 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 41.06 1jq8 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jq8 h ALA 40 N 1.49 0.58 -0.85 2.12 0.00 -1.94 -0.93 119.26 119.73 1jq8 h ALA 40 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1jq8 h ALA 40 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1jq8 h ALA 40 CO 0.00 -0.03 0.49 1.15 0.00 0.00 0.00 179.25 180.86 1jq8 h THR 41 N 0.56 1.24 -0.29 0.00 2.02 -1.90 -1.74 112.91 112.79 1jq8 h THR 41 Ca 0.18 -0.56 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 1jq8 h THR 41 Cb -0.00 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 1jq8 h THR 41 CO -0.08 0.26 -0.13 -0.78 0.37 0.00 0.00 175.52 175.16 1jq8 h ASP 42 N 1.17 0.49 0.08 4.18 3.58 -1.80 -2.00 116.42 122.10 1jq8 h ASP 42 Ca 0.30 -0.13 -0.11 0.00 0.42 0.00 0.00 57.03 57.51 1jq8 h ASP 42 Cb -0.02 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 1jq8 h ASP 42 CO -0.05 0.65 -0.36 0.03 -2.88 0.00 0.00 179.24 176.62 1jq8 h ARG 43 N 0.46 0.40 -0.82 0.28 3.08 -0.62 -1.33 114.38 115.83 1jq8 h ARG 43 Ca 0.08 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 59.96 1jq8 h ARG 43 Cb 0.50 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 1jq8 h ARG 43 CO 0.03 0.71 0.54 0.00 -1.07 0.00 0.00 179.97 180.18 1jq8 h PHE 46 N 0.69 0.52 -0.50 0.00 3.57 -0.91 -0.71 116.94 119.61 1jq8 h PHE 46 Ca 0.05 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1jq8 h PHE 46 Cb 1.01 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 1jq8 h PHE 46 CO 0.06 0.31 0.13 0.28 -2.23 0.00 0.00 178.31 176.86 1jq8 h VAL 47 N 0.56 1.21 -0.52 1.41 2.07 -1.09 -1.78 116.25 118.11 1jq8 h VAL 47 Ca 0.17 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 1jq8 h VAL 47 Cb -0.02 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1jq8 h VAL 47 CO -0.06 0.28 -0.01 -0.74 0.02 0.00 0.00 177.57 177.05 1jq8 h HIS 48 N 0.73 0.97 -0.30 1.57 -0.00 -0.55 0.62 115.15 118.19 1jq8 h HIS 48 Ca 0.16 -0.15 -0.04 0.00 -0.00 0.00 0.00 60.37 60.34 1jq8 h HIS 48 Cb 0.25 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 1jq8 h HIS 48 CO 0.01 0.88 0.03 -0.44 -0.00 0.00 0.00 177.93 178.42 1jq8 h ASP 49 N 0.83 0.50 -0.66 3.26 3.32 -0.67 -2.04 116.42 120.95 1jq8 h ASP 49 Ca 0.15 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 1jq8 h ASP 49 Cb 0.51 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1jq8 h ASP 49 CO 0.03 0.66 0.31 0.00 -1.72 0.00 0.00 179.24 178.51 1jq8 h TYR 52 N 0.17 0.90 0.00 0.00 -1.99 -0.96 -2.62 116.97 112.47 1jq8 h TYR 52 Ca 0.07 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1jq8 h TYR 52 Cb 0.03 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.48 1jq8 h TYR 52 CO -0.10 0.67 0.00 0.78 -0.00 0.00 0.00 178.16 179.51 1jq8 h GLY 53 N 0.98 0.00 -0.94 3.88 0.00 -0.21 -0.89 103.07 105.89 1jq8 h GLY 53 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1jq8 h GLY 53 CO -0.02 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.22 1jq8 n ASN 54 N -2.65 1.85 -3.15 0.19 3.02 -0.99 -4.34 115.26 109.20 1jq8 n ASN 54 Ca -0.01 -1.72 -0.29 0.00 -0.03 0.00 0.00 54.58 52.53 1jq8 n ASN 54 Cb 0.11 -0.10 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 1jq8 n ASN 54 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1jq8 n LEU 55 N 0.44 4.61 -0.17 3.41 4.77 -0.34 -4.93 117.00 124.79 1jq8 n LEU 55 Ca 0.17 -5.59 -0.01 0.00 -0.03 0.00 0.00 56.01 50.55 1jq8 n LEU 55 Cb 0.37 -0.66 0.08 0.00 -2.33 0.00 0.00 43.42 40.88 1jq8 n LEU 55 CO 0.14 2.24 0.87 -0.65 -1.33 0.00 0.00 177.39 178.66 1jq8 h PRO 56 N 3.45 0.17 -0.35 3.23 0.11 -1.78 -1.94 132.00 134.89 1jq8 h PRO 56 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1jq8 h PRO 56 Cb 0.53 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1jq8 h PRO 56 CO 0.87 0.11 0.00 -0.25 -0.21 0.00 0.00 178.00 178.52 1jq8 n ASP 59 N -5.19 0.83 -4.60 -2.05 9.92 -1.26 -4.84 116.55 109.35 1jq8 n ASP 59 Ca 0.07 -2.04 -0.27 0.00 -0.53 0.00 0.00 54.79 52.03 1jq8 n ASP 59 Cb 0.29 -0.20 -0.10 0.00 -0.64 0.00 0.00 41.12 40.47 1jq8 n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jq8 s ASN 67 N -3.69 2.03 0.32 0.00 2.47 -1.26 -5.00 114.94 109.81 1jq8 s ASN 67 Ca 0.35 -2.80 0.10 0.00 0.42 0.00 0.00 52.86 50.92 1jq8 s ASN 67 Cb 0.06 -0.46 0.90 0.00 -1.45 0.00 0.00 41.25 40.30 1jq8 s ASN 67 CO 0.18 -0.21 1.70 -0.65 -3.72 0.00 0.00 177.10 174.40 1jq8 h PRO 68 N 6.09 0.46 -0.95 0.43 0.11 -1.92 0.29 132.00 136.51 1jq8 h PRO 68 Ca 0.19 -0.03 0.16 0.00 0.11 0.00 0.00 66.00 66.44 1jq8 h PRO 68 Cb 0.93 -0.10 -0.10 0.00 0.11 0.00 0.00 31.00 31.83 1jq8 h PRO 68 CO 0.35 0.30 0.55 -0.22 -0.21 0.00 0.00 178.00 178.77 1jq8 h LYS 69 N 0.47 0.74 0.00 1.05 3.64 -1.95 -3.05 116.57 117.46 1jq8 h LYS 69 Ca 0.65 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.99 1jq8 h LYS 69 Cb 1.31 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1jq8 h LYS 69 CO -0.52 0.49 0.00 -1.13 -2.27 0.00 0.00 179.45 176.01 1jq8 n SER 70 N -4.78 0.93 -4.54 4.20 3.41 -0.79 -4.33 113.62 107.73 1jq8 n SER 70 Ca 0.20 -1.15 -0.43 0.00 -0.26 0.00 0.00 58.87 57.24 1jq8 n SER 70 Cb 0.48 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 1jq8 n SER 70 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jq8 s ASP 71 N -0.15 6.35 -0.01 4.04 -1.08 0.97 -4.84 116.67 121.95 1jq8 s ASP 71 Ca 0.00 -0.27 -0.16 0.00 -0.52 0.00 0.00 52.55 51.60 1jq8 s ASP 71 Cb 0.00 -2.48 -0.06 0.00 -1.46 0.00 0.00 42.92 38.93 1jq8 s ASP 71 CO 0.00 -1.35 0.44 -0.13 0.52 0.00 0.00 175.17 174.65 1jq8 s ARG 72 N 4.36 4.04 0.42 4.34 0.52 -1.26 -1.32 118.95 130.04 1jq8 s ARG 72 Ca 0.34 0.46 0.04 0.00 -0.52 0.00 0.00 55.73 56.05 1jq8 s ARG 72 Cb -0.11 -3.26 -0.02 0.00 0.52 0.00 0.00 34.95 32.08 1jq8 s ARG 72 CO 0.20 0.58 0.16 1.52 0.02 0.00 0.00 175.30 177.78 1jq8 s TYR 73 N -0.76 1.78 -0.01 -0.53 -0.85 -1.26 -4.94 117.35 110.78 1jq8 s TYR 73 Ca 0.25 -1.37 0.08 0.00 -0.52 0.00 0.00 57.07 55.50 1jq8 s TYR 73 Cb -0.17 -1.11 -0.02 0.00 0.38 0.00 0.00 41.96 41.04 1jq8 s TYR 73 CO 0.13 -0.40 -0.25 0.15 -1.52 0.00 0.00 175.55 173.66 1jq8 s LYS 74 N -3.64 2.00 0.02 -3.49 -0.14 -1.26 -4.97 119.74 108.26 1jq8 s LYS 74 Ca 0.23 -0.93 -0.04 0.00 -1.36 0.00 0.00 55.97 53.88 1jq8 s LYS 74 Cb 0.01 -1.97 -0.01 0.00 -1.68 0.00 0.00 37.83 34.19 1jq8 s LYS 74 CO 0.16 0.54 0.06 1.52 -0.76 0.00 0.00 175.35 176.86 1jq8 s TYR 75 N -0.62 0.20 0.31 3.18 -0.85 -1.26 -2.34 117.35 115.97 1jq8 s TYR 75 Ca 0.10 -0.44 0.03 0.00 -0.52 0.00 0.00 57.07 56.24 1jq8 s TYR 75 Cb -0.10 -0.15 -0.05 0.00 0.38 0.00 0.00 41.96 42.04 1jq8 s TYR 75 CO -0.01 -0.28 0.09 -1.59 -1.52 0.00 0.00 175.55 172.24 1jq8 s LYS 76 N -1.95 1.60 -0.24 -3.49 -2.85 -0.26 -4.95 119.74 107.60 1jq8 s LYS 76 Ca -0.11 -1.90 -0.05 0.00 -1.00 0.00 0.00 55.97 52.91 1jq8 s LYS 76 Cb -0.05 -0.58 -0.01 0.00 -2.06 0.00 0.00 37.83 35.13 1jq8 s LYS 76 CO -0.02 -0.28 0.01 1.03 0.10 0.00 0.00 175.35 176.19 1jq8 s ARG 77 N -3.91 3.38 -0.05 1.78 1.81 -1.26 -0.29 118.95 120.40 1jq8 s ARG 77 Ca 0.35 -0.64 0.01 0.00 -1.72 0.00 0.00 55.73 53.73 1jq8 s ARG 77 Cb 0.07 -3.16 0.02 0.00 -0.45 0.00 0.00 34.95 31.44 1jq8 s ARG 77 CO 0.15 -0.25 -0.04 0.08 -0.68 0.00 0.00 175.30 174.56 1jq8 s VAL 78 N 1.51 0.58 -1.47 3.52 1.01 0.24 -4.76 120.40 121.04 1jq8 s VAL 78 Ca 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 1jq8 s VAL 78 Cb -0.15 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.63 1jq8 s VAL 78 CO -0.00 0.25 0.40 -3.20 0.00 0.00 0.00 175.10 172.54 1jq8 n ASN 79 N 4.25 -5.26 0.00 3.32 4.05 -1.26 -0.90 115.26 119.46 1jq8 n ASN 79 Ca -0.21 -0.20 0.00 0.00 0.45 0.00 0.00 54.58 54.62 1jq8 n ASN 79 Cb 0.51 -4.31 0.00 0.00 1.23 0.00 0.00 39.78 37.20 1jq8 n ASN 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1jq8 n GLY 80 N -1.27 2.82 3.83 8.20 0.00 -1.26 -5.02 105.19 112.50 1jq8 n GLY 80 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1jq8 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jq8 s ALA 81 N -2.66 3.65 0.11 4.61 0.00 -0.07 -5.06 121.76 122.34 1jq8 s ALA 81 Ca 0.00 -1.23 -0.30 0.00 0.00 0.00 0.00 51.96 50.43 1jq8 s ALA 81 Cb 0.00 -1.43 -0.06 0.00 0.00 0.00 0.00 23.12 21.63 1jq8 s ALA 81 CO 0.00 0.45 1.13 0.42 0.00 0.00 0.00 175.76 177.76 1jq8 s ILE 82 N -1.83 4.04 -0.15 0.00 1.01 -1.26 -0.59 121.20 122.41 1jq8 s ILE 82 Ca 0.32 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.56 1jq8 s ILE 82 Cb -0.10 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.38 1jq8 s ILE 82 CO 0.25 0.19 -0.15 -0.69 0.00 0.00 0.00 174.94 174.54 1jq8 s VAL 83 N 0.46 1.62 -0.45 2.92 1.01 0.60 -4.92 120.40 121.63 1jq8 s VAL 83 Ca 0.54 -0.66 -0.26 0.00 0.00 0.00 0.00 61.98 61.59 1jq8 s VAL 83 Cb -0.29 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.60 1jq8 s VAL 83 CO 0.32 0.47 0.96 0.00 0.00 0.00 0.00 175.10 176.85 1jq8 s GLU 85 N 3.83 3.12 0.02 0.00 2.02 -0.99 -4.91 118.70 121.79 1jq8 s GLU 85 Ca 0.39 1.91 -0.30 0.00 0.02 0.00 0.00 54.97 56.99 1jq8 s GLU 85 Cb -0.10 -2.07 -0.08 0.00 0.10 0.00 0.00 34.13 31.98 1jq8 s GLU 85 CO 0.26 -1.11 1.89 0.21 0.02 0.00 0.00 175.26 176.53 1jq8 s LYS 86 N -3.14 4.15 0.00 1.61 2.36 -1.26 -4.79 119.74 118.67 1jq8 s LYS 86 Ca 0.74 2.52 0.00 0.00 -2.55 0.00 0.00 55.97 56.68 1jq8 s LYS 86 Cb -0.32 -4.09 0.00 0.00 -1.05 0.00 0.00 37.83 32.37 1jq8 s LYS 86 CO 0.36 -0.92 0.00 0.41 1.55 0.00 0.00 175.35 176.75 1jq8 n GLY 88 N 4.43 5.11 3.77 5.54 0.00 -1.26 -5.07 105.19 117.72 1jq8 n GLY 88 Ca 0.19 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 1jq8 n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jq8 s THR 89 N 0.72 3.15 0.26 2.61 -4.23 -1.26 -4.75 115.64 112.14 1jq8 s THR 89 Ca 0.00 0.37 -0.02 0.00 -1.18 0.00 0.00 61.69 60.86 1jq8 s THR 89 Cb 0.00 -2.98 0.25 0.00 1.34 0.00 0.00 72.50 71.11 1jq8 s THR 89 CO 0.00 -0.49 1.84 -1.28 -0.54 0.00 0.00 174.62 174.15 1jq8 h SER 90 N -1.18 0.85 -0.54 3.99 0.87 -2.01 0.55 113.55 116.08 1jq8 h SER 90 Ca -0.46 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.02 1jq8 h SER 90 Cb 1.26 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 1jq8 h SER 90 CO 0.56 0.49 -0.09 0.00 -0.53 0.00 0.00 176.83 177.26 1jq8 h GLU 92 N 0.92 0.99 0.71 0.00 5.08 -1.67 -1.51 114.58 119.10 1jq8 h GLU 92 Ca 0.15 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1jq8 h GLU 92 Cb 0.65 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.87 1jq8 h GLU 92 CO 0.05 1.09 -0.34 -0.91 -1.00 0.00 0.00 179.01 177.89 1jq8 h ASN 93 N 0.85 -0.80 -0.33 1.42 -0.26 -0.82 -1.70 115.58 113.94 1jq8 h ASN 93 Ca 0.11 0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.80 1jq8 h ASN 93 Cb 0.78 0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 38.23 1jq8 h ASN 93 CO 0.06 -0.52 0.02 0.03 -1.06 0.00 0.00 177.43 175.97 1jq8 h ARG 94 N -1.03 0.66 -0.39 0.81 3.08 -1.33 -1.11 114.38 115.06 1jq8 h ARG 94 Ca -0.10 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 59.65 1jq8 h ARG 94 Cb 0.75 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1jq8 h ARG 94 CO 0.16 0.66 -0.34 0.82 -1.07 0.00 0.00 179.97 180.20 1jq8 h ILE 95 N 0.63 1.27 -0.70 2.04 2.04 -1.29 -1.57 117.51 119.93 1jq8 h ILE 95 Ca 0.13 -1.51 -0.04 0.00 1.00 0.00 0.00 64.86 64.44 1jq8 h ILE 95 Cb 0.36 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1jq8 h ILE 95 CO 0.01 0.51 0.27 0.00 0.00 0.00 0.00 178.15 178.93 1jq8 h GLU 97 N 1.01 0.17 -0.31 0.00 4.39 -1.07 0.04 114.58 118.82 1jq8 h GLU 97 Ca 0.23 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 1jq8 h GLU 97 Cb 0.23 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1jq8 h GLU 97 CO -0.02 0.50 -0.08 0.00 -1.16 0.00 0.00 179.01 178.25 1jq8 h ASP 99 N 0.37 0.81 -0.21 0.00 3.32 -0.85 -2.49 116.42 117.37 1jq8 h ASP 99 Ca 0.08 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1jq8 h ASP 99 Cb 0.57 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1jq8 h ASP 99 CO 0.03 0.94 0.13 0.50 -1.72 0.00 0.00 179.24 179.13 1jq8 h LYS 100 N 0.66 0.28 -0.96 3.56 3.64 -0.97 -0.80 116.57 121.97 1jq8 h LYS 100 Ca 0.12 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1jq8 h LYS 100 Cb 0.55 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 1jq8 h LYS 100 CO 0.03 0.20 0.63 0.00 -2.27 0.00 0.00 179.45 178.05 1jq8 h ALA 101 N 1.06 1.24 -0.24 5.00 0.00 -1.32 -1.91 119.26 123.08 1jq8 h ALA 101 Ca 0.08 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1jq8 h ALA 101 Cb -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1jq8 h ALA 101 CO -0.02 0.58 -0.08 0.00 0.00 0.00 0.00 179.25 179.74 1jq8 h ALA 102 N 1.37 0.34 -0.85 0.00 0.00 -1.05 -1.43 119.26 117.63 1jq8 h ALA 102 Ca 0.36 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1jq8 h ALA 102 Cb -0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1jq8 h ALA 102 CO -0.09 0.15 0.43 0.00 0.00 0.00 0.00 179.25 179.74 1jq8 h ALA 103 N 0.75 1.09 -0.35 0.00 0.00 -0.94 0.76 119.26 120.56 1jq8 h ALA 103 Ca 0.06 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1jq8 h ALA 103 Cb 0.55 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1jq8 h ALA 103 CO 0.03 0.64 -0.15 0.82 0.00 0.00 0.00 179.25 180.58 1jq8 h ILE 104 N 1.20 1.28 -0.64 0.00 2.04 -1.36 -1.64 117.51 118.40 1jq8 h ILE 104 Ca 0.29 -1.26 0.06 0.00 1.00 0.00 0.00 64.86 64.96 1jq8 h ILE 104 Cb 0.08 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 1jq8 h ILE 104 CO -0.04 0.41 0.34 0.00 0.00 0.00 0.00 178.15 178.86 1jq8 h PHE 106 N 0.62 0.05 -0.24 0.00 0.04 -0.62 -2.10 116.94 114.69 1jq8 h PHE 106 Ca 0.29 0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.10 1jq8 h PHE 106 Cb 0.22 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 1jq8 h PHE 106 CO -0.09 0.02 0.06 -0.09 -0.60 0.00 0.00 178.31 177.60 1jq8 h ARG 107 N 0.09 0.15 -0.06 1.51 2.43 -0.29 -1.88 114.38 116.32 1jq8 h ARG 107 Ca 0.06 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1jq8 h ARG 107 Cb 0.05 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1jq8 h ARG 107 CO -0.08 0.10 0.07 1.96 -1.51 0.00 0.00 179.97 180.51 1jq8 h GLN 108 N 0.15 0.00 -0.29 0.20 4.20 -0.43 -2.62 115.11 116.33 1jq8 h GLN 108 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1jq8 h GLN 108 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1jq8 h GLN 108 CO -0.14 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.11 1jq8 n ASN 109 N -3.77 3.82 0.29 1.46 3.02 -0.76 -4.63 115.26 114.70 1jq8 n ASN 109 Ca -0.02 -2.86 0.15 0.00 -0.03 0.00 0.00 54.58 51.82 1jq8 n ASN 109 Cb 0.16 -0.50 0.88 0.00 -0.61 0.00 0.00 39.78 39.71 1jq8 n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1jq8 h LEU 110 N 1.94 0.00 -2.23 3.41 3.38 -1.04 -1.88 115.31 118.90 1jq8 h LEU 110 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jq8 h LEU 110 Cb 1.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 1jq8 h LEU 110 CO 0.20 0.00 -0.00 -0.55 0.09 0.00 0.00 178.44 178.18 1jq8 h ASN 111 N 0.00 0.00 -0.03 -0.43 7.08 -1.84 -2.84 115.58 117.52 1jq8 h ASN 111 Ca 0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 1jq8 h ASN 111 Cb 0.04 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.28 1jq8 h ASN 111 CO -0.00 0.00 0.00 0.35 -2.08 0.00 0.00 177.43 175.70 1jq8 n THR 112 N -3.10 0.98 -2.30 6.14 -2.24 -0.72 -5.00 114.28 108.05 1jq8 n THR 112 Ca -0.01 -0.99 -0.42 0.00 -2.27 0.00 0.00 64.05 60.35 1jq8 n THR 112 Cb 0.19 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 1jq8 n THR 112 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1jq8 s TYR 113 N -0.98 2.75 -0.00 4.78 6.14 -1.07 -4.90 117.35 124.06 1jq8 s TYR 113 Ca 0.02 0.84 0.03 0.00 0.64 0.00 0.00 57.07 58.61 1jq8 s TYR 113 Cb 0.01 -3.61 -0.01 0.00 0.42 0.00 0.00 41.96 38.77 1jq8 s TYR 113 CO 0.02 -2.23 -0.11 -1.54 0.64 0.00 0.00 175.55 172.32 1jq8 s SER 114 N 2.10 1.30 0.02 4.32 1.04 -1.26 -5.00 113.70 116.22 1jq8 s SER 114 Ca 0.61 -0.23 0.07 0.00 0.48 0.00 0.00 55.95 56.88 1jq8 s SER 114 Cb -0.27 -0.13 0.29 0.00 0.10 0.00 0.00 66.02 66.00 1jq8 s SER 114 CO 0.22 0.12 1.21 0.29 0.98 0.00 0.00 173.24 176.05 1jq8 n LYS 115 N 2.70 0.01 -0.05 4.02 5.02 -1.26 -1.90 118.16 126.71 1jq8 n LYS 115 Ca -0.14 0.42 0.10 0.00 -2.02 0.00 0.00 58.31 56.67 1jq8 n LYS 115 Cb 0.56 -1.53 0.49 0.00 -0.02 0.00 0.00 35.03 34.53 1jq8 n LYS 115 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1jq8 h LYS 116 N 0.00 0.41 -0.69 1.97 3.64 -1.99 -2.17 116.57 117.74 1jq8 h LYS 116 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1jq8 h LYS 116 Cb 0.10 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1jq8 h LYS 116 CO 0.00 0.27 0.00 0.66 -2.27 0.00 0.00 179.45 178.11 1jq8 n TYR 117 N -4.47 0.91 -2.90 1.91 4.01 -0.80 -4.89 117.16 110.93 1jq8 n TYR 117 Ca 0.08 -0.46 -0.35 0.00 -0.16 0.00 0.00 57.90 57.01 1jq8 n TYR 117 Cb 0.29 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.25 1jq8 n TYR 117 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1jq8 s MET 118 N -1.09 4.32 -1.37 -0.72 -1.94 -0.82 -0.16 119.30 117.53 1jq8 s MET 118 Ca 0.46 1.08 -0.01 0.00 -1.71 0.00 0.00 55.69 55.52 1jq8 s MET 118 Cb 0.24 -2.55 -0.00 0.00 2.01 0.00 0.00 34.83 34.53 1jq8 s MET 118 CO 0.32 0.18 0.52 1.28 -0.01 0.00 0.00 175.02 177.30 1jq8 n LEU 119 N 0.05 -2.54 -4.71 -0.03 4.77 0.11 -4.89 117.00 109.75 1jq8 n LEU 119 Ca 0.03 -0.94 -0.42 0.00 -0.03 0.00 0.00 56.01 54.65 1jq8 n LEU 119 Cb 0.52 -2.38 -0.03 0.00 -2.33 0.00 0.00 43.42 39.20 1jq8 n LEU 119 CO 0.41 0.42 0.82 -0.47 -1.33 0.00 0.00 177.39 177.25 1jq8 s TYR 120 N -3.85 3.49 0.15 -1.77 5.04 -1.25 -4.98 117.35 114.18 1jq8 s TYR 120 Ca 0.01 1.44 -0.34 0.00 -2.44 0.00 0.00 57.07 55.74 1jq8 s TYR 120 Cb -0.00 -3.31 -0.15 0.00 0.35 0.00 0.00 41.96 38.85 1jq8 s TYR 120 CO 0.86 -0.82 1.39 -2.30 -1.34 0.00 0.00 175.55 173.35 1jq8 n PRO 121 N 4.07 1.62 -0.27 4.97 -0.02 -1.26 -4.93 135.00 139.19 1jq8 n PRO 121 Ca 0.08 0.58 -0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1jq8 n PRO 121 Cb 0.48 -2.24 0.12 0.00 -0.02 0.00 0.00 33.50 31.84 1jq8 n PRO 121 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1jq8 h ASP 122 N 4.67 0.67 0.25 2.55 -0.00 -1.94 -1.85 116.42 120.76 1jq8 h ASP 122 Ca -0.45 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.60 1jq8 h ASP 122 Cb 1.30 -0.11 0.00 0.00 -0.00 0.00 0.00 39.33 40.52 1jq8 h ASP 122 CO 0.79 0.42 0.00 2.22 -0.00 0.00 0.00 179.24 182.67 1jq8 n PHE 124 N -4.72 0.00 1.05 0.28 -1.74 -1.26 -1.64 117.46 109.43 1jq8 n PHE 124 Ca 0.10 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.11 1jq8 n PHE 124 Cb 0.19 -0.30 0.34 0.00 1.52 0.00 0.00 39.48 41.22 1jq8 n PHE 124 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1jq8 n LEU 125 N -1.30 2.18 -3.79 5.98 4.77 -0.70 -4.64 117.00 119.51 1jq8 n LEU 125 Ca 0.06 -0.87 -0.30 0.00 -0.03 0.00 0.00 56.01 54.87 1jq8 n LEU 125 Cb 0.11 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1jq8 n LEU 125 CO 0.10 0.43 -0.29 0.00 -1.33 0.00 0.00 177.39 176.31 1jq8 s LYS 127 N 0.89 0.82 0.00 0.00 1.02 -1.26 -4.37 119.74 116.83 1jq8 s LYS 127 Ca 0.13 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.24 1jq8 s LYS 127 Cb -0.21 -0.81 0.00 0.00 -0.52 0.00 0.00 37.83 36.29 1jq8 s LYS 127 CO -0.11 0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 1jq8 n GLY 128 N 1.47 1.06 2.92 -3.33 0.00 -1.26 -4.18 105.19 101.87 1jq8 n GLY 128 Ca -0.20 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.71 1jq8 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jq8 s GLU 129 N -1.97 0.24 -0.38 1.61 -1.05 -1.26 -0.98 118.70 114.91 1jq8 s GLU 129 Ca 0.00 -0.14 -0.05 0.00 -0.15 0.00 0.00 54.97 54.63 1jq8 s GLU 129 Cb 0.00 -0.21 0.08 0.00 -0.44 0.00 0.00 34.13 33.55 1jq8 s GLU 129 CO 0.00 0.06 0.17 -0.51 0.95 0.00 0.00 175.26 175.93 1jq8 s LEU 130 N -0.16 4.81 0.14 1.83 1.43 -1.26 -5.00 118.68 120.47 1jq8 s LEU 130 Ca 0.00 -1.56 -0.31 0.00 -1.03 0.00 0.00 54.13 51.24 1jq8 s LEU 130 Cb -0.02 -1.87 -0.08 0.00 0.03 0.00 0.00 46.19 44.26 1jq8 s LEU 130 CO -0.00 -0.45 1.28 -0.54 0.23 0.00 0.00 176.35 176.86 1jq8 s LYS 131 N 1.30 4.40 0.00 1.70 -0.14 -1.26 -5.10 119.74 120.65 1jq8 s LYS 131 Ca 0.02 1.95 0.00 0.00 -1.36 0.00 0.00 55.97 56.58 1jq8 s LYS 131 Cb -0.22 -3.26 0.00 0.00 -1.68 0.00 0.00 37.83 32.67 1jq8 s LYS 131 CO -0.00 -0.27 0.00 0.00 -0.76 0.00 0.00 175.35 174.32