#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qi8 s HIS 2 N 0.00 -1.14 0.02 1.12 0.00 -1.26 -5.12 115.29 108.91 1qi8 s HIS 2 Ca 0.00 2.09 0.04 0.00 -3.00 0.00 0.00 55.06 54.19 1qi8 s HIS 2 Cb 0.00 0.65 -0.03 0.00 -4.00 0.00 0.00 32.58 29.20 1qi8 s HIS 2 CO 0.00 -0.58 -0.08 -0.51 -1.00 0.00 0.00 174.74 172.57 1qi8 s LEU 3 N 2.43 3.12 0.81 5.38 1.43 -1.26 -5.11 118.68 125.48 1qi8 s LEU 3 Ca -0.07 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 1qi8 s LEU 3 Cb -0.10 -1.81 0.08 0.00 0.03 0.00 0.00 46.19 44.39 1qi8 s LEU 3 CO -0.18 0.27 1.12 0.42 0.23 0.00 0.00 176.35 178.21 1qi8 s THR 4 N -1.02 2.69 0.40 5.49 -4.23 -1.26 -4.83 115.64 112.88 1qi8 s THR 4 Ca 0.17 0.22 0.10 0.00 -1.18 0.00 0.00 61.69 61.00 1qi8 s THR 4 Cb -0.11 -3.07 0.30 0.00 1.34 0.00 0.00 72.50 70.96 1qi8 s THR 4 CO 0.08 -0.29 1.99 -0.65 -0.54 0.00 0.00 174.62 175.21 1qi8 h PRO 5 N -1.09 0.55 -0.36 3.99 0.11 -1.99 -0.59 132.00 132.62 1qi8 h PRO 5 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1qi8 h PRO 5 Cb 1.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1qi8 h PRO 5 CO 0.62 0.36 0.09 1.49 -0.21 0.00 0.00 178.00 180.36 1qi8 h GLU 6 N 0.56 0.58 -0.57 1.05 4.81 -1.99 -1.64 114.58 117.37 1qi8 h GLU 6 Ca 0.26 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1qi8 h GLU 6 Cb 0.31 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1qi8 h GLU 6 CO -0.08 0.61 -0.03 0.93 -0.73 0.00 0.00 179.01 179.72 1qi8 h GLU 7 N 0.44 1.03 -0.19 1.92 5.08 -1.51 -2.07 114.58 119.28 1qi8 h GLU 7 Ca 0.11 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1qi8 h GLU 7 Cb 0.29 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1qi8 h GLU 7 CO 0.00 1.03 0.12 0.87 -1.00 0.00 0.00 179.01 180.03 1qi8 h LYS 8 N 0.92 0.23 -0.56 2.33 1.57 -1.16 -1.32 116.57 118.58 1qi8 h LYS 8 Ca 0.16 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1qi8 h LYS 8 Cb 0.59 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1qi8 h LYS 8 CO 0.04 0.15 0.24 0.77 -0.57 0.00 0.00 179.45 180.08 1qi8 h SER 9 N 0.24 0.73 -0.44 0.86 0.02 -1.20 -1.15 113.55 112.60 1qi8 h SER 9 Ca 0.07 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1qi8 h SER 9 Cb -0.02 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1qi8 h SER 9 CO -0.02 0.64 0.08 0.00 -1.14 0.00 0.00 176.83 176.38 1qi8 h ALA 10 N 1.47 0.58 0.20 3.77 0.00 -0.93 -0.52 119.26 123.83 1qi8 h ALA 10 Ca 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1qi8 h ALA 10 Cb 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1qi8 h ALA 10 CO -0.02 0.30 -0.10 0.28 0.00 0.00 0.00 179.25 179.71 1qi8 h VAL 11 N 0.58 0.82 -0.70 0.00 2.07 -0.84 -2.56 116.25 115.62 1qi8 h VAL 11 Ca 0.13 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 1qi8 h VAL 11 Cb 0.37 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1qi8 h VAL 11 CO 0.01 0.01 0.25 0.74 0.02 0.00 0.00 177.57 178.60 1qi8 h THR 12 N -0.29 1.25 -0.22 2.57 2.02 -1.14 -1.54 112.91 115.56 1qi8 h THR 12 Ca -0.03 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 1qi8 h THR 12 Cb 0.22 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1qi8 h THR 12 CO 0.04 0.33 0.10 0.00 0.37 0.00 0.00 175.52 176.36 1qi8 h ALA 13 N 1.11 0.29 -0.68 6.16 0.00 -1.05 -2.19 119.26 122.90 1qi8 h ALA 13 Ca 0.23 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1qi8 h ALA 13 Cb 0.26 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1qi8 h ALA 13 CO -0.01 -0.14 0.19 1.25 0.00 0.00 0.00 179.25 180.54 1qi8 h LEU 14 N 0.23 0.99 -2.05 0.00 5.85 -1.36 -2.81 115.31 116.16 1qi8 h LEU 14 Ca 0.08 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1qi8 h LEU 14 Cb 0.14 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1qi8 h LEU 14 CO -0.01 0.94 -0.05 -0.25 -0.34 0.00 0.00 178.44 178.73 1qi8 h TRP 15 N 1.01 0.00 0.00 1.25 2.91 -0.99 -0.71 115.95 119.43 1qi8 h TRP 15 Ca 0.22 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.24 1qi8 h TRP 15 Cb 0.32 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.97 1qi8 h TRP 15 CO 0.02 0.05 0.00 0.78 -1.03 0.00 0.00 178.44 178.26 1qi8 h GLY 16 N 1.04 0.00 -2.16 2.65 0.00 -1.12 -2.31 103.07 101.17 1qi8 h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qi8 h GLY 16 CO 0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.83 1qi8 n LYS 17 N -2.37 2.44 -3.08 4.80 5.02 -0.27 -4.97 118.16 119.73 1qi8 n LYS 17 Ca 0.02 -2.24 -0.39 0.00 -2.02 0.00 0.00 58.31 53.67 1qi8 n LYS 17 Cb 0.23 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.72 1qi8 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qi8 s VAL 18 N -1.33 4.97 -0.63 -0.18 1.01 -0.87 -5.01 120.40 118.35 1qi8 s VAL 18 Ca 0.37 1.41 -0.23 0.00 0.00 0.00 0.00 61.98 63.53 1qi8 s VAL 18 Cb 0.21 -4.02 0.06 0.00 0.00 0.00 0.00 36.38 32.63 1qi8 s VAL 18 CO 0.29 0.31 0.97 0.21 0.00 0.00 0.00 175.10 176.88 1qi8 s ASN 19 N 0.43 6.21 0.30 3.32 3.84 -1.26 -4.93 114.94 122.86 1qi8 s ASN 19 Ca 0.36 -0.81 0.00 0.00 0.21 0.00 0.00 52.86 52.62 1qi8 s ASN 19 Cb -0.18 -2.43 0.51 0.00 -0.55 0.00 0.00 41.25 38.61 1qi8 s ASN 19 CO 0.18 -1.40 1.93 0.58 -2.79 0.00 0.00 177.10 175.60 1qi8 h VAL 20 N 5.98 1.10 -0.24 -5.21 2.07 -1.95 -0.83 116.25 117.18 1qi8 h VAL 20 Ca -0.28 -0.36 -0.19 0.00 0.82 0.00 0.00 66.70 66.69 1qi8 h VAL 20 Cb 1.07 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1qi8 h VAL 20 CO 1.16 0.19 -0.60 0.44 0.02 0.00 0.00 177.57 178.78 1qi8 h ASP 21 N 1.04 0.91 -0.24 0.57 3.32 -1.91 0.48 116.42 120.59 1qi8 h ASP 21 Ca 0.37 -0.51 -0.09 0.00 0.02 0.00 0.00 57.03 56.81 1qi8 h ASP 21 Cb 0.13 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 1qi8 h ASP 21 CO -0.13 1.30 -0.21 -0.08 -1.72 0.00 0.00 179.24 178.40 1qi8 h GLU 22 N 0.60 0.56 -0.52 3.56 4.81 -1.91 -2.34 114.58 119.35 1qi8 h GLU 22 Ca -0.00 -0.29 -0.08 0.00 -0.13 0.00 0.00 59.36 58.86 1qi8 h GLU 22 Cb 1.21 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1qi8 h GLU 22 CO 0.13 0.87 -0.01 0.28 -0.73 0.00 0.00 179.01 179.55 1qi8 h VAL 23 N 0.27 1.25 -0.02 0.32 2.07 -1.17 -1.64 116.25 117.34 1qi8 h VAL 23 Ca 0.04 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1qi8 h VAL 23 Cb 0.76 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1qi8 h VAL 23 CO 0.05 0.38 0.01 1.23 0.02 0.00 0.00 177.57 179.27 1qi8 h GLY 24 N 0.99 0.03 1.42 2.17 0.00 -0.81 -0.10 103.07 106.77 1qi8 h GLY 24 Ca 0.15 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 1qi8 h GLY 24 CO 0.03 0.01 -0.15 -1.33 0.00 0.00 0.00 176.54 175.10 1qi8 h GLY 25 N 0.02 0.74 1.49 4.60 0.00 -1.30 -1.71 103.07 106.92 1qi8 h GLY 25 Ca 0.01 -0.57 -0.19 0.00 0.00 0.00 0.00 47.33 46.58 1qi8 h GLY 25 CO -0.00 0.52 -0.72 -2.09 0.00 0.00 0.00 176.54 174.25 1qi8 h GLU 26 N 0.62 0.50 -0.23 4.80 4.22 -1.16 -1.19 114.58 122.15 1qi8 h GLU 26 Ca 0.10 -0.40 -0.14 0.00 0.08 0.00 0.00 59.36 59.00 1qi8 h GLU 26 Cb 0.60 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1qi8 h GLU 26 CO 0.04 1.03 -0.40 0.00 -2.18 0.00 0.00 179.01 177.50 1qi8 h ALA 27 N 0.86 0.36 -0.07 2.92 0.00 -0.96 -1.44 119.26 120.92 1qi8 h ALA 27 Ca -0.03 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 1qi8 h ALA 27 Cb 1.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1qi8 h ALA 27 CO 0.13 0.46 -0.58 -0.92 0.00 0.00 0.00 179.25 178.34 1qi8 h TYR 28 N 0.38 0.31 -0.28 0.00 3.20 -1.36 -0.67 116.97 118.55 1qi8 h TYR 28 Ca 0.02 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 1qi8 h TYR 28 Cb 1.00 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 1qi8 h TYR 28 CO 0.08 0.76 0.04 0.78 -1.64 0.00 0.00 178.16 178.19 1qi8 h GLY 29 N 1.45 0.51 2.00 1.82 0.00 -1.17 -2.55 103.07 105.13 1qi8 h GLY 29 Ca -0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1qi8 h GLY 29 CO 0.09 0.32 -0.18 3.21 0.00 0.00 0.00 176.54 179.98 1qi8 h ARG 30 N 0.29 0.00 -0.19 4.80 3.08 -1.09 -1.32 114.38 119.94 1qi8 h ARG 30 Ca 0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1qi8 h ARG 30 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1qi8 h ARG 30 CO 0.01 0.18 0.11 1.25 -1.07 0.00 0.00 179.97 180.45 1qi8 h LEU 31 N 0.00 0.24 -1.04 3.04 5.85 -0.94 0.80 115.31 123.26 1qi8 h LEU 31 Ca -0.00 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 1qi8 h LEU 31 Cb 0.35 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1qi8 h LEU 31 CO 0.02 0.24 -0.47 -0.07 -0.34 0.00 0.00 178.44 177.83 1qi8 h LEU 32 N 0.22 0.00 0.03 2.25 4.07 -0.96 -2.33 115.31 118.58 1qi8 h LEU 32 Ca 0.07 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.92 1qi8 h LEU 32 Cb 0.05 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.81 1qi8 h LEU 32 CO -0.01 0.47 -0.46 0.58 -1.08 0.00 0.00 178.44 177.94 1qi8 h VAL 33 N 0.00 1.53 0.05 1.22 2.07 -0.92 -3.30 116.25 116.89 1qi8 h VAL 33 Ca -0.00 -2.16 -0.24 0.00 0.82 0.00 0.00 66.70 65.11 1qi8 h VAL 33 Cb 0.85 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 1qi8 h VAL 33 CO 0.06 0.60 -1.05 0.58 0.02 0.00 0.00 177.57 177.79 1qi8 h VAL 34 N -0.40 1.42 -2.57 2.57 2.07 -0.89 -3.36 116.25 115.10 1qi8 h VAL 34 Ca -0.07 -2.63 -0.60 0.00 0.82 0.00 0.00 66.70 64.21 1qi8 h VAL 34 Cb 1.24 2.60 -0.41 0.00 -1.52 0.00 0.00 31.29 33.19 1qi8 h VAL 34 CO 0.09 0.78 -0.65 -1.22 0.02 0.00 0.00 177.57 176.59 1qi8 n TYR 35 N -3.68 2.87 0.37 1.57 4.01 -0.88 -4.99 117.16 116.42 1qi8 n TYR 35 Ca -0.08 -4.12 0.08 0.00 -0.16 0.00 0.00 57.90 53.63 1qi8 n TYR 35 Cb 0.90 -0.51 0.37 0.00 -0.31 0.00 0.00 39.34 39.78 1qi8 n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1qi8 n PRO 36 N 1.50 0.08 0.29 -0.72 -0.04 -1.24 -1.71 135.00 133.16 1qi8 n PRO 36 Ca 0.25 0.38 0.18 0.00 -0.04 0.00 0.00 63.50 64.27 1qi8 n PRO 36 Cb 0.40 -1.68 0.77 0.00 -0.04 0.00 0.00 33.50 32.95 1qi8 n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1qi8 h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.92 -1.35 115.95 113.31 1qi8 h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1qi8 h TRP 37 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.48 1qi8 h TRP 37 CO 0.00 0.01 0.00 0.25 0.09 0.00 0.00 178.44 178.79 1qi8 n THR 38 N -3.11 0.53 0.73 0.12 -2.24 -0.70 -2.24 114.28 107.38 1qi8 n THR 38 Ca -0.00 0.13 0.10 0.00 -2.27 0.00 0.00 64.05 62.02 1qi8 n THR 38 Cb 0.27 -0.88 0.46 0.00 -2.10 0.00 0.00 70.33 68.08 1qi8 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qi8 n GLN 39 N -1.27 0.01 0.21 -0.78 6.02 -0.51 -3.84 117.38 117.22 1qi8 n GLN 39 Ca 0.08 0.14 0.18 0.00 -0.01 0.00 0.00 57.00 57.38 1qi8 n GLN 39 Cb 0.12 -1.51 0.81 0.00 1.02 0.00 0.00 30.24 30.68 1qi8 n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1qi8 h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.66 -1.43 114.38 110.30 1qi8 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1qi8 h ARG 40 Cb 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 1qi8 h ARG 40 CO 0.00 0.00 -0.44 1.19 0.10 0.00 0.00 179.97 180.82 1qi8 n PHE 41 N -3.44 0.24 -1.98 4.08 3.72 -1.25 -4.52 117.46 114.32 1qi8 n PHE 41 Ca 0.02 0.07 -0.21 0.00 -0.05 0.00 0.00 57.45 57.29 1qi8 n PHE 41 Cb 0.45 -0.47 0.04 0.00 -0.94 0.00 0.00 39.48 38.56 1qi8 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1qi8 n PHE 42 N -1.75 2.46 0.22 1.38 3.72 -0.54 -4.73 117.46 118.22 1qi8 n PHE 42 Ca 0.05 -2.15 0.08 0.00 -0.05 0.00 0.00 57.45 55.39 1qi8 n PHE 42 Cb 0.38 -0.33 0.52 0.00 -0.94 0.00 0.00 39.48 39.11 1qi8 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1qi8 h GLU 43 N 2.06 0.00 0.00 -1.08 5.08 -1.79 -2.23 114.58 116.61 1qi8 h GLU 43 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1qi8 h GLU 43 Cb 1.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1qi8 h GLU 43 CO 0.68 0.24 0.00 -1.13 -1.00 0.00 0.00 179.01 177.80 1qi8 n SER 44 N -3.71 0.00 -0.22 1.42 3.41 -1.26 -3.69 113.62 109.57 1qi8 n SER 44 Ca -0.01 -0.09 0.14 0.00 -0.26 0.00 0.00 58.87 58.65 1qi8 n SER 44 Cb 0.36 -0.28 0.60 0.00 -0.26 0.00 0.00 64.21 64.63 1qi8 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1qi8 n PHE 45 N -1.28 0.00 -1.08 7.33 3.01 -0.84 -5.04 117.46 119.56 1qi8 n PHE 45 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 1qi8 n PHE 45 Cb 0.19 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1qi8 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qi8 n GLY 46 N 1.22 0.80 3.60 1.37 0.00 -1.24 -4.81 105.19 106.13 1qi8 n GLY 46 Ca 0.17 -1.31 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 1qi8 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qi8 s ASP 47 N -4.00 6.39 -0.15 1.61 2.15 -1.26 -4.84 116.67 116.57 1qi8 s ASP 47 Ca 0.00 0.85 0.14 0.00 0.43 0.00 0.00 52.55 53.97 1qi8 s ASP 47 Cb 0.00 -2.54 0.37 0.00 -0.30 0.00 0.00 42.92 40.45 1qi8 s ASP 47 CO 0.00 -1.38 1.18 0.18 -0.17 0.00 0.00 175.17 174.98 1qi8 n LEU 48 N 8.61 2.25 -0.11 -1.34 4.77 -1.26 -4.34 117.00 125.58 1qi8 n LEU 48 Ca 0.16 -3.30 -0.04 0.00 -0.03 0.00 0.00 56.01 52.79 1qi8 n LEU 48 Cb 0.48 -0.41 0.16 0.00 -2.33 0.00 0.00 43.42 41.32 1qi8 n LEU 48 CO 0.70 1.06 0.87 0.77 -1.33 0.00 0.00 177.39 179.46 1qi8 h SER 49 N 0.70 0.76 -4.34 -1.43 4.64 -1.91 -3.44 113.55 108.54 1qi8 h SER 49 Ca -0.03 -0.19 -0.39 0.00 -0.47 0.00 0.00 61.79 60.72 1qi8 h SER 49 Cb 1.14 -0.20 -0.14 0.00 -0.31 0.00 0.00 62.40 62.89 1qi8 h SER 49 CO 0.01 0.83 -0.60 0.42 -0.87 0.00 0.00 176.83 176.63 1qi8 s THR 50 N -4.98 0.58 0.18 2.95 -4.23 -1.26 -5.02 115.64 103.87 1qi8 s THR 50 Ca -0.09 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.29 1qi8 s THR 50 Cb 0.15 -2.61 0.10 0.00 1.34 0.00 0.00 72.50 71.47 1qi8 s THR 50 CO 0.81 0.00 1.82 -0.65 -0.54 0.00 0.00 174.62 176.07 1qi8 h PRO 51 N 2.29 0.83 -0.31 3.99 0.11 -1.99 -0.14 132.00 136.79 1qi8 h PRO 51 Ca -0.37 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 1qi8 h PRO 51 Cb 1.25 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1qi8 h PRO 51 CO 0.60 0.59 -0.06 -0.44 -0.21 0.00 0.00 178.00 178.48 1qi8 h ASP 52 N 0.84 0.47 -0.23 -2.05 3.32 -1.98 -0.72 116.42 116.07 1qi8 h ASP 52 Ca 0.22 -0.10 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 1qi8 h ASP 52 Cb -0.03 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1qi8 h ASP 52 CO -0.04 0.58 -0.44 0.00 -1.72 0.00 0.00 179.24 177.63 1qi8 h ALA 53 N 1.47 0.65 0.18 3.45 0.00 -1.58 -2.21 119.26 121.22 1qi8 h ALA 53 Ca 0.10 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1qi8 h ALA 53 Cb 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1qi8 h ALA 53 CO 0.02 0.67 -0.09 0.28 0.00 0.00 0.00 179.25 180.13 1qi8 h VAL 54 N 0.63 0.90 0.00 0.00 2.07 -0.69 -2.08 116.25 117.09 1qi8 h VAL 54 Ca 0.04 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1qi8 h VAL 54 Cb 1.00 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1qi8 h VAL 54 CO 0.10 0.09 -0.15 0.24 0.02 0.00 0.00 177.57 177.87 1qi8 h MET 55 N -0.44 0.00 -0.00 1.57 2.07 -1.13 -2.68 114.93 114.32 1qi8 h MET 55 Ca -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 1qi8 h MET 55 Cb 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.07 1qi8 h MET 55 CO 0.04 0.15 -0.44 0.41 1.07 0.00 0.00 176.91 178.14 1qi8 n GLY 56 N -0.90 -0.89 3.67 8.32 0.00 -0.84 -4.89 105.19 109.67 1qi8 n GLY 56 Ca -0.02 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1qi8 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qi8 s ASN 57 N -2.76 6.84 0.51 1.61 3.84 -0.79 -4.92 114.94 119.27 1qi8 s ASN 57 Ca 0.17 2.03 0.27 0.00 0.21 0.00 0.00 52.86 55.54 1qi8 s ASN 57 Cb 0.18 -2.55 1.35 0.00 -0.55 0.00 0.00 41.25 39.68 1qi8 s ASN 57 CO 0.63 -0.77 2.02 1.55 -2.79 0.00 0.00 177.10 177.73 1qi8 h PRO 58 N 8.31 0.00 0.01 0.43 0.13 -1.91 -1.81 132.00 137.16 1qi8 h PRO 58 Ca -0.35 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.55 1qi8 h PRO 58 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1qi8 h PRO 58 CO 0.93 0.14 -0.95 0.87 -0.23 0.00 0.00 178.00 178.76 1qi8 h LYS 59 N 0.00 0.37 -0.44 0.86 1.57 -1.91 -1.32 116.57 115.70 1qi8 h LYS 59 Ca -0.00 -0.41 -0.08 0.00 -1.87 0.00 0.00 60.65 58.30 1qi8 h LYS 59 Cb 0.44 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1qi8 h LYS 59 CO 0.02 1.09 -0.03 0.28 -0.57 0.00 0.00 179.45 180.23 1qi8 h VAL 60 N 0.20 1.27 -0.51 0.50 2.07 -1.80 -1.64 116.25 116.34 1qi8 h VAL 60 Ca -0.08 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 1qi8 h VAL 60 Cb 1.58 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1qi8 h VAL 60 CO 0.16 0.37 0.07 0.11 0.02 0.00 0.00 177.57 178.30 1qi8 h LYS 61 N 0.63 0.81 -0.50 1.57 1.57 -1.26 -1.43 116.57 117.96 1qi8 h LYS 61 Ca 0.12 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1qi8 h LYS 61 Cb 0.54 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1qi8 h LYS 61 CO 0.03 0.77 0.03 0.00 -0.57 0.00 0.00 179.45 179.71 1qi8 h ALA 62 N 1.30 0.67 -0.47 3.86 0.00 -1.05 -1.80 119.26 121.77 1qi8 h ALA 62 Ca 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1qi8 h ALA 62 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1qi8 h ALA 62 CO 0.01 0.46 0.25 0.37 0.00 0.00 0.00 179.25 180.34 1qi8 h GLN 63 N 0.74 0.65 -0.57 0.00 5.75 -1.15 -2.13 115.11 118.40 1qi8 h GLN 63 Ca 0.15 -0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1qi8 h GLN 63 Cb 0.48 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.87 1qi8 h GLN 63 CO 0.02 0.52 0.36 0.78 -2.65 0.00 0.00 178.83 177.86 1qi8 h GLY 64 N 0.61 0.82 0.96 2.39 0.00 -0.88 -0.55 103.07 106.42 1qi8 h GLY 64 Ca 0.16 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.24 1qi8 h GLY 64 CO -0.03 0.24 0.57 0.50 0.00 0.00 0.00 176.54 177.82 1qi8 h LYS 65 N 0.71 1.11 -0.09 4.80 1.57 -1.20 0.26 116.57 123.73 1qi8 h LYS 65 Ca 0.23 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1qi8 h LYS 65 Cb -0.01 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.05 1qi8 h LYS 65 CO -0.09 0.73 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.29 1qi8 h LYS 66 N 1.14 0.17 -0.36 3.15 3.64 -1.06 -1.63 116.57 121.61 1qi8 h LYS 66 Ca 0.33 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1qi8 h LYS 66 Cb -0.08 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1qi8 h LYS 66 CO -0.09 0.48 0.11 0.28 -2.27 0.00 0.00 179.45 177.97 1qi8 h VAL 67 N -0.16 1.21 0.00 2.00 2.07 -1.02 -2.93 116.25 117.41 1qi8 h VAL 67 Ca 0.02 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1qi8 h VAL 67 Cb 0.42 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1qi8 h VAL 67 CO 0.01 0.24 -0.30 -0.07 0.02 0.00 0.00 177.57 177.46 1qi8 h LEU 68 N 0.43 0.00 -0.77 2.57 3.38 -0.97 -1.89 115.31 118.06 1qi8 h LEU 68 Ca 0.12 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1qi8 h LEU 68 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1qi8 h LEU 68 CO -0.00 0.30 0.04 1.23 0.09 0.00 0.00 178.44 180.10 1qi8 h GLY 69 N 2.04 1.05 1.40 0.83 0.00 -1.21 0.13 103.07 107.31 1qi8 h GLY 69 Ca -0.00 -0.72 -0.18 0.00 0.00 0.00 0.00 47.33 46.43 1qi8 h GLY 69 CO 0.04 0.67 -0.62 0.00 0.00 0.00 0.00 176.54 176.63 1qi8 h ALA 70 N 1.13 0.58 -0.48 3.60 0.00 -1.33 -1.82 119.26 120.95 1qi8 h ALA 70 Ca 0.17 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1qi8 h ALA 70 Cb 0.48 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1qi8 h ALA 70 CO 0.02 0.70 0.23 0.35 0.00 0.00 0.00 179.25 180.55 1qi8 h PHE 71 N 0.46 0.69 -0.30 0.00 3.57 -1.01 -1.82 116.94 118.53 1qi8 h PHE 71 Ca -0.01 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1qi8 h PHE 71 Cb 1.19 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1qi8 h PHE 71 CO 0.06 0.55 0.18 1.03 -2.23 0.00 0.00 178.31 177.90 1qi8 h SER 72 N 0.63 0.36 0.30 0.41 0.87 -0.62 -1.60 113.55 113.90 1qi8 h SER 72 Ca 0.16 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 1qi8 h SER 72 Cb 0.12 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1qi8 h SER 72 CO -0.02 0.31 -0.29 0.44 -0.53 0.00 0.00 176.83 176.74 1qi8 h ASP 73 N 0.38 0.00 0.00 6.23 3.32 -1.19 -1.74 116.42 123.42 1qi8 h ASP 73 Ca 0.11 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1qi8 h ASP 73 Cb 0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1qi8 h ASP 73 CO -0.02 0.29 -0.01 1.23 -1.72 0.00 0.00 179.24 179.00 1qi8 h GLY 74 N 0.89 0.04 2.00 2.75 0.00 -0.42 -2.64 103.07 105.69 1qi8 h GLY 74 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1qi8 h GLY 74 CO 0.04 0.02 0.00 1.41 0.00 0.00 0.00 176.54 178.00 1qi8 h LEU 75 N 0.04 0.00 -0.05 3.11 3.38 -0.89 -0.24 115.31 120.66 1qi8 h LEU 75 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1qi8 h LEU 75 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1qi8 h LEU 75 CO 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 178.44 178.34 1qi8 n ALA 76 N -1.84 2.83 -2.25 1.53 0.00 -0.99 -4.12 120.51 115.67 1qi8 n ALA 76 Ca 0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.03 1qi8 n ALA 76 Cb 0.16 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.31 1qi8 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1qi8 n HIS 77 N -1.38 2.47 0.30 0.00 8.25 -0.10 -4.89 115.22 119.88 1qi8 n HIS 77 Ca 0.08 -2.31 0.18 0.00 -0.26 0.00 0.00 57.72 55.42 1qi8 n HIS 77 Cb 0.32 -0.29 0.96 0.00 1.12 0.00 0.00 29.99 32.09 1qi8 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1qi8 h LEU 78 N 2.33 0.00 -0.14 2.41 3.38 -1.71 -0.76 115.31 120.82 1qi8 h LEU 78 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1qi8 h LEU 78 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1qi8 h LEU 78 CO 0.65 0.03 -0.01 0.47 0.09 0.00 0.00 178.44 179.67 1qi8 n ASP 79 N -3.36 0.24 -2.80 -0.43 8.00 -1.26 -4.21 116.55 112.73 1qi8 n ASP 79 Ca -0.02 -0.90 -0.10 0.00 0.71 0.00 0.00 54.79 54.48 1qi8 n ASP 79 Cb 0.15 -0.05 0.07 0.00 -0.02 0.00 0.00 41.12 41.28 1qi8 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1qi8 n ASN 80 N -0.89 -1.56 0.05 -2.24 5.15 -0.30 -4.98 115.26 110.49 1qi8 n ASN 80 Ca 0.21 -3.33 -0.07 0.00 -0.60 0.00 0.00 54.58 50.79 1qi8 n ASN 80 Cb 0.18 1.24 0.10 0.00 -0.53 0.00 0.00 39.78 40.76 1qi8 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1qi8 h LEU 81 N 2.83 0.42 -0.61 1.20 3.38 -1.71 -2.74 115.31 118.09 1qi8 h LEU 81 Ca -0.10 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1qi8 h LEU 81 Cb 1.12 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1qi8 h LEU 81 CO 0.18 0.91 0.22 0.11 0.09 0.00 0.00 178.44 179.94 1qi8 h LYS 82 N 0.28 0.93 -0.60 1.13 1.57 -1.91 -0.49 116.57 117.49 1qi8 h LYS 82 Ca -0.00 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 1qi8 h LYS 82 Cb 1.10 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1qi8 h LYS 82 CO 0.10 0.81 0.03 0.78 -0.57 0.00 0.00 179.45 180.60 1qi8 h GLY 83 N 0.86 1.12 1.65 3.86 0.00 -1.95 -2.16 103.07 106.43 1qi8 h GLY 83 Ca 0.20 -0.80 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 1qi8 h GLY 83 CO -0.01 0.74 -0.14 -0.84 0.00 0.00 0.00 176.54 176.29 1qi8 h THR 84 N 0.94 1.22 -0.41 4.70 2.02 -1.29 -3.25 112.91 116.83 1qi8 h THR 84 Ca 0.17 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1qi8 h THR 84 Cb 0.52 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1qi8 h THR 84 CO 0.02 0.32 0.00 0.49 0.37 0.00 0.00 175.52 176.73 1qi8 n PHE 85 N -4.21 0.55 -0.12 3.16 3.72 -0.21 -4.66 117.46 115.69 1qi8 n PHE 85 Ca 0.00 -0.50 -0.05 0.00 -0.05 0.00 0.00 57.45 56.86 1qi8 n PHE 85 Cb 0.32 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 38.85 1qi8 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qi8 h ALA 86 N 2.43 0.21 -0.26 4.37 0.00 -1.43 0.11 119.26 124.70 1qi8 h ALA 86 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1qi8 h ALA 86 Cb 0.78 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1qi8 h ALA 86 CO 0.00 -0.49 -0.37 1.15 0.00 0.00 0.00 179.25 179.54 1qi8 h THR 87 N -0.05 1.29 -0.12 0.00 2.02 -1.85 -2.38 112.91 111.83 1qi8 h THR 87 Ca 0.20 -1.52 -0.11 0.00 0.77 0.00 0.00 66.41 65.75 1qi8 h THR 87 Cb 0.35 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1qi8 h THR 87 CO -0.45 0.48 -0.41 -0.07 0.37 0.00 0.00 175.52 175.44 1qi8 h LEU 88 N 0.48 0.28 0.19 2.58 3.38 -1.72 -1.66 115.31 118.83 1qi8 h LEU 88 Ca 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1qi8 h LEU 88 Cb 0.86 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1qi8 h LEU 88 CO 0.07 0.66 -0.09 -1.28 0.09 0.00 0.00 178.44 177.89 1qi8 h SER 89 N 0.22 -0.22 -0.70 -0.43 0.87 -0.50 -0.87 113.55 111.93 1qi8 h SER 89 Ca 0.02 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.65 1qi8 h SER 89 Cb 0.82 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.78 1qi8 h SER 89 CO 0.06 -0.15 0.39 -0.33 -0.53 0.00 0.00 176.83 176.28 1qi8 h GLU 90 N -0.26 0.70 -0.75 2.24 5.08 -1.21 -2.31 114.58 118.07 1qi8 h GLU 90 Ca -0.03 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1qi8 h GLU 90 Cb 0.20 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1qi8 h GLU 90 CO 0.04 0.46 0.24 1.25 -1.00 0.00 0.00 179.01 180.01 1qi8 h LEU 91 N 0.72 1.08 -1.03 1.33 5.85 -1.12 0.29 115.31 122.43 1qi8 h LEU 91 Ca 0.32 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 1qi8 h LEU 91 Cb 0.20 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1qi8 h LEU 91 CO -0.19 0.99 -0.40 0.45 -0.34 0.00 0.00 178.44 178.95 1qi8 h HIS 92 N 1.11 0.19 0.11 1.25 3.86 -0.82 -1.30 115.15 119.55 1qi8 h HIS 92 Ca 0.24 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 1qi8 h HIS 92 Cb 0.29 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1qi8 h HIS 92 CO 0.02 0.55 -0.05 0.00 0.86 0.00 0.00 177.93 179.31 1qi8 h ASP 94 N -1.03 0.20 0.00 0.00 3.32 -0.99 -3.21 116.42 114.70 1qi8 h ASP 94 Ca -0.02 -0.15 -0.16 0.00 0.02 0.00 0.00 57.03 56.72 1qi8 h ASP 94 Cb 0.17 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1qi8 h ASP 94 CO 0.03 0.90 -1.62 0.29 -1.72 0.00 0.00 179.24 177.12 1qi8 n LYS 95 N -3.71 0.33 0.07 3.56 4.76 -0.66 -4.74 118.16 117.78 1qi8 n LYS 95 Ca -0.03 0.06 0.11 0.00 -2.87 0.00 0.00 58.31 55.59 1qi8 n LYS 95 Cb 0.74 -1.22 0.01 0.00 -1.84 0.00 0.00 35.03 32.72 1qi8 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1qi8 n LEU 96 N -2.81 0.69 -3.57 -0.35 4.77 -0.58 -4.99 117.00 110.16 1qi8 n LEU 96 Ca -0.19 0.21 -0.22 0.00 -0.03 0.00 0.00 56.01 55.78 1qi8 n LEU 96 Cb 0.71 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.80 1qi8 n LEU 96 CO 0.11 -0.10 0.18 1.41 -1.33 0.00 0.00 177.39 177.66 1qi8 n HIS 97 N -2.41 -2.59 -3.34 -1.77 8.25 -0.02 -4.97 115.22 108.36 1qi8 n HIS 97 Ca 0.00 0.98 -0.39 0.00 -0.26 0.00 0.00 57.72 58.05 1qi8 n HIS 97 Cb 0.51 -4.97 -0.08 0.00 1.12 0.00 0.00 29.99 26.58 1qi8 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1qi8 s VAL 98 N -3.35 5.15 0.13 1.59 1.01 -0.35 -5.03 120.40 119.56 1qi8 s VAL 98 Ca 0.38 0.72 -0.32 0.00 0.00 0.00 0.00 61.98 62.76 1qi8 s VAL 98 Cb -0.17 -3.75 -0.12 0.00 0.00 0.00 0.00 36.38 32.34 1qi8 s VAL 98 CO 0.74 0.17 1.78 -0.67 0.00 0.00 0.00 175.10 177.12 1qi8 n ASP 99 N 5.05 3.85 0.04 3.32 -0.08 -1.26 -4.77 116.55 122.69 1qi8 n ASP 99 Ca -0.07 1.02 0.06 0.00 -1.51 0.00 0.00 54.79 54.28 1qi8 n ASP 99 Cb 0.51 -1.52 0.26 0.00 2.34 0.00 0.00 41.12 42.70 1qi8 n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1qi8 n PRO 100 N 4.98 0.05 0.21 -0.67 -0.02 -1.26 -1.44 135.00 136.85 1qi8 n PRO 100 Ca 0.18 0.42 0.06 0.00 -2.02 0.00 0.00 63.50 62.14 1qi8 n PRO 100 Cb 0.35 -1.62 0.54 0.00 -0.02 0.00 0.00 33.50 32.75 1qi8 n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1qi8 h GLU 101 N 0.00 0.07 -0.91 -0.52 4.57 -1.99 -1.31 114.58 114.48 1qi8 h GLU 101 Ca 0.00 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.26 1qi8 h GLU 101 Cb 0.14 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.65 1qi8 h GLU 101 CO 0.00 0.15 0.59 -0.91 -1.18 0.00 0.00 179.01 177.65 1qi8 h ASN 102 N 0.07 0.84 -0.73 1.04 4.21 -1.62 -1.47 115.58 117.91 1qi8 h ASN 102 Ca 0.02 0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.53 1qi8 h ASN 102 Cb 0.18 -0.15 -0.04 0.00 -1.12 0.00 0.00 38.32 37.19 1qi8 h ASN 102 CO 0.01 0.50 0.39 -0.26 -1.29 0.00 0.00 177.43 176.78 1qi8 h PHE 103 N 0.93 1.02 -0.30 1.19 0.04 -1.42 -1.05 116.94 117.35 1qi8 h PHE 103 Ca 0.42 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 61.10 1qi8 h PHE 103 Cb 0.38 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1qi8 h PHE 103 CO -0.00 0.72 -0.05 0.00 -0.60 0.00 0.00 178.31 178.38 1qi8 h ARG 104 N 1.04 0.56 -0.62 1.51 2.47 -1.30 -1.34 114.38 116.69 1qi8 h ARG 104 Ca 0.26 -0.20 0.01 0.00 -1.26 0.00 0.00 59.98 58.79 1qi8 h ARG 104 Cb 0.05 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 1qi8 h ARG 104 CO -0.04 0.74 0.41 -0.07 0.56 0.00 0.00 179.97 181.57 1qi8 h LEU 105 N 0.34 0.70 -0.76 3.04 3.38 -1.21 -2.29 115.31 118.51 1qi8 h LEU 105 Ca 0.08 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1qi8 h LEU 105 Cb 0.51 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1qi8 h LEU 105 CO 0.02 0.50 0.50 0.25 0.09 0.00 0.00 178.44 179.81 1qi8 h LEU 106 N 0.83 0.87 -0.59 1.67 5.85 -1.09 -1.24 115.31 121.62 1qi8 h LEU 106 Ca 0.23 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1qi8 h LEU 106 Cb -0.08 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.68 1qi8 h LEU 106 CO -0.06 0.63 0.27 1.23 -0.34 0.00 0.00 178.44 180.17 1qi8 h GLY 107 N 1.02 0.83 1.51 3.75 0.00 -1.02 0.18 103.07 109.34 1qi8 h GLY 107 Ca 0.28 -0.17 -0.17 0.00 0.00 0.00 0.00 47.33 47.27 1qi8 h GLY 107 CO -0.06 0.06 -0.62 3.43 0.00 0.00 0.00 176.54 179.35 1qi8 h ASN 108 N 0.50 0.58 -0.57 0.19 2.35 -1.17 -2.10 115.58 115.35 1qi8 h ASN 108 Ca 0.28 -0.33 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 1qi8 h ASN 108 Cb 0.26 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1qi8 h ASN 108 CO -0.23 1.05 -0.05 0.58 -1.65 0.00 0.00 177.43 177.13 1qi8 h VAL 109 N 0.37 1.27 -0.80 2.81 2.07 -0.69 -2.19 116.25 119.09 1qi8 h VAL 109 Ca -0.01 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.31 1qi8 h VAL 109 Cb 1.17 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1qi8 h VAL 109 CO 0.11 0.43 0.52 0.25 0.02 0.00 0.00 177.57 178.91 1qi8 h LEU 110 N 0.93 0.92 -0.63 2.57 5.85 -0.52 -0.59 115.31 123.85 1qi8 h LEU 110 Ca 0.16 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1qi8 h LEU 110 Cb 0.61 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1qi8 h LEU 110 CO 0.04 0.67 0.29 0.58 -0.34 0.00 0.00 178.44 179.68 1qi8 h VAL 111 N 1.08 1.22 -0.86 1.05 2.07 -1.17 -0.07 116.25 119.58 1qi8 h VAL 111 Ca 0.29 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1qi8 h VAL 111 Cb -0.12 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 1qi8 h VAL 111 CO -0.06 0.26 0.48 0.00 0.02 0.00 0.00 177.57 178.27 1qi8 h VAL 113 N 1.20 1.28 -0.79 0.00 2.07 -0.72 -1.11 116.25 118.18 1qi8 h VAL 113 Ca 0.30 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1qi8 h VAL 113 Cb 0.02 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1qi8 h VAL 113 CO -0.05 0.44 0.42 -0.07 0.02 0.00 0.00 177.57 178.33 1qi8 h LEU 114 N 0.59 0.99 -0.89 2.57 3.38 -0.76 0.25 115.31 121.43 1qi8 h LEU 114 Ca 0.08 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1qi8 h LEU 114 Cb 0.74 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1qi8 h LEU 114 CO 0.06 0.81 0.57 0.00 0.09 0.00 0.00 178.44 179.97 1qi8 h ALA 115 N 1.22 1.14 -0.73 1.53 0.00 -0.89 -0.58 119.26 120.95 1qi8 h ALA 115 Ca 0.28 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1qi8 h ALA 115 Cb 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1qi8 h ALA 115 CO -0.04 0.56 0.34 1.25 0.00 0.00 0.00 179.25 181.36 1qi8 h HIS 116 N 1.22 1.05 -0.17 0.00 -0.00 -0.77 -0.92 115.15 115.56 1qi8 h HIS 116 Ca 0.32 -0.05 -0.18 0.00 -0.00 0.00 0.00 60.37 60.46 1qi8 h HIS 116 Cb -0.10 -0.33 -0.00 0.00 -0.00 0.00 0.00 27.41 26.98 1qi8 h HIS 116 CO -0.00 0.78 -0.63 1.25 -0.00 0.00 0.00 177.93 179.32 1qi8 h HIS 117 N 1.02 0.81 -0.01 5.26 6.17 -0.74 -3.33 115.15 124.33 1qi8 h HIS 117 Ca 0.25 -0.32 0.00 0.00 0.71 0.00 0.00 60.37 61.01 1qi8 h HIS 117 Cb 0.13 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 29.92 1qi8 h HIS 117 CO 0.01 1.09 -0.69 1.19 0.71 0.00 0.00 177.93 180.24 1qi8 n PHE 118 N -3.93 0.00 -0.13 5.26 3.72 -0.25 -5.06 117.46 117.07 1qi8 n PHE 118 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1qi8 n PHE 118 Cb 0.66 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 1qi8 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qi8 n GLY 119 N 1.40 3.30 0.25 1.37 0.00 -0.35 -2.01 105.19 109.15 1qi8 n GLY 119 Ca 0.06 -0.08 0.17 0.00 0.00 0.00 0.00 46.02 46.17 1qi8 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qi8 h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -0.28 116.57 118.03 1qi8 h LYS 120 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1qi8 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1qi8 h LYS 120 CO 0.00 0.00 -0.02 1.49 -2.00 0.00 0.00 179.45 178.92 1qi8 h GLU 121 N 0.00 0.00 -4.10 0.07 4.81 -1.81 -3.33 114.58 110.22 1qi8 h GLU 121 Ca 0.00 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.49 1qi8 h GLU 121 Cb 0.34 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.58 1qi8 h GLU 121 CO 0.00 0.02 2.04 0.34 -0.73 0.00 0.00 179.01 180.68 1qi8 n PHE 122 N -3.17 3.71 -1.69 0.92 7.35 -0.12 -4.95 117.46 119.50 1qi8 n PHE 122 Ca -0.01 -2.97 -0.29 0.00 -0.76 0.00 0.00 57.45 53.42 1qi8 n PHE 122 Cb 0.22 -2.16 0.12 0.00 0.35 0.00 0.00 39.48 38.01 1qi8 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1qi8 s THR 123 N 1.44 1.99 0.22 -2.13 -4.23 -1.25 -4.67 115.64 107.00 1qi8 s THR 123 Ca 0.43 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.85 1qi8 s THR 123 Cb 0.07 -2.86 0.18 0.00 1.34 0.00 0.00 72.50 71.22 1qi8 s THR 123 CO -0.00 0.00 1.70 -0.65 -0.54 0.00 0.00 174.62 175.13 1qi8 h PRO 124 N -1.35 0.26 -0.39 3.99 0.11 -1.94 0.12 132.00 132.80 1qi8 h PRO 124 Ca -0.48 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 1qi8 h PRO 124 Cb 1.33 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1qi8 h PRO 124 CO 0.62 0.17 -0.15 -1.35 -0.21 0.00 0.00 178.00 177.09 1qi8 h PRO 125 N 0.27 0.71 -0.35 1.05 0.11 -1.99 -1.23 132.00 130.57 1qi8 h PRO 125 Ca 0.33 -0.25 -0.09 0.00 0.11 0.00 0.00 66.00 66.11 1qi8 h PRO 125 Cb 0.51 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1qi8 h PRO 125 CO -0.42 0.83 -0.12 0.28 -0.21 0.00 0.00 178.00 178.36 1qi8 h VAL 126 N 0.64 1.28 -0.58 3.15 2.07 -1.73 -2.19 116.25 118.88 1qi8 h VAL 126 Ca 0.11 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.45 1qi8 h VAL 126 Cb 0.61 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 1qi8 h VAL 126 CO 0.04 0.40 0.35 -0.61 0.02 0.00 0.00 177.57 177.77 1qi8 h GLN 127 N 0.48 0.66 -0.96 1.57 4.15 -0.54 -1.65 115.11 118.82 1qi8 h GLN 127 Ca 0.08 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.50 1qi8 h GLN 127 Cb 0.64 -0.15 -0.06 0.00 0.21 0.00 0.00 27.48 28.13 1qi8 h GLN 127 CO 0.04 0.44 0.63 0.00 -1.93 0.00 0.00 178.83 178.01 1qi8 h ALA 128 N 1.27 1.27 -0.19 3.38 0.00 -1.04 0.17 119.26 124.12 1qi8 h ALA 128 Ca 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1qi8 h ALA 128 Cb 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1qi8 h ALA 128 CO -0.11 0.51 0.04 0.00 0.00 0.00 0.00 179.25 179.69 1qi8 h ALA 129 N 1.39 0.25 -0.13 0.00 0.00 -1.06 -2.21 119.26 117.50 1qi8 h ALA 129 Ca 0.38 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1qi8 h ALA 129 Cb -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1qi8 h ALA 129 CO -0.12 -0.10 -0.06 1.88 0.00 0.00 0.00 179.25 180.85 1qi8 h TYR 130 N 0.12 0.20 -0.72 0.00 0.05 -0.62 -2.02 116.97 113.97 1qi8 h TYR 130 Ca 0.06 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 1qi8 h TYR 130 Cb 0.28 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 1qi8 h TYR 130 CO 0.01 0.27 0.27 1.96 -1.05 0.00 0.00 178.16 179.62 1qi8 h GLN 131 N 0.19 1.09 -0.28 4.88 1.08 -0.42 0.57 115.11 122.21 1qi8 h GLN 131 Ca 0.04 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 1qi8 h GLN 131 Cb 0.24 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1qi8 h GLN 131 CO 0.01 0.91 0.12 0.87 -0.95 0.00 0.00 178.83 179.80 1qi8 h LYS 132 N 1.04 0.42 -0.24 1.46 1.57 -0.85 -2.28 116.57 117.69 1qi8 h LYS 132 Ca 0.24 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1qi8 h LYS 132 Cb 0.24 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1qi8 h LYS 132 CO -0.02 0.42 0.13 0.28 -0.57 0.00 0.00 179.45 179.70 1qi8 h VAL 133 N 0.31 1.02 -0.14 0.50 2.07 -0.92 -0.42 116.25 118.67 1qi8 h VAL 133 Ca 0.10 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1qi8 h VAL 133 Cb 0.16 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1qi8 h VAL 133 CO -0.01 0.05 -0.30 -0.37 0.02 0.00 0.00 177.57 176.96 1qi8 h VAL 134 N 0.28 1.26 -0.65 2.57 -1.51 -0.84 -0.82 116.25 116.55 1qi8 h VAL 134 Ca 0.09 -1.26 -0.09 0.00 -1.23 0.00 0.00 66.70 64.21 1qi8 h VAL 134 Cb 0.00 1.50 -0.02 0.00 -2.13 0.00 0.00 31.29 30.64 1qi8 h VAL 134 CO -0.05 0.38 0.06 0.00 -1.23 0.00 0.00 177.57 176.74 1qi8 h ALA 135 N 1.46 0.87 -0.63 5.19 0.00 -1.34 -1.07 119.26 123.74 1qi8 h ALA 135 Ca 0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1qi8 h ALA 135 Cb 0.66 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1qi8 h ALA 135 CO 0.05 0.67 0.19 0.78 0.00 0.00 0.00 179.25 180.94 1qi8 h GLY 136 N 1.02 1.06 0.86 0.00 0.00 -0.41 0.55 103.07 106.14 1qi8 h GLY 136 Ca 0.19 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1qi8 h GLY 136 CO 0.02 0.59 0.03 -2.08 0.00 0.00 0.00 176.54 175.11 1qi8 h VAL 137 N 0.91 1.23 -0.80 4.60 2.07 -1.15 -0.04 116.25 123.08 1qi8 h VAL 137 Ca 0.20 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1qi8 h VAL 137 Cb 0.31 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1qi8 h VAL 137 CO -0.00 0.25 0.40 0.00 0.02 0.00 0.00 177.57 178.23 1qi8 h ALA 138 N 0.84 1.19 -0.42 1.67 0.00 -1.01 0.37 119.26 121.90 1qi8 h ALA 138 Ca 0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1qi8 h ALA 138 Cb 0.35 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1qi8 h ALA 138 CO 0.01 0.62 -0.08 -0.91 0.00 0.00 0.00 179.25 178.89 1qi8 h ASN 139 N 1.13 0.71 -0.43 0.00 4.21 -0.73 -2.09 115.58 118.38 1qi8 h ASN 139 Ca 0.28 -0.19 -0.13 0.00 1.21 0.00 0.00 56.30 57.46 1qi8 h ASN 139 Cb 0.09 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.09 1qi8 h ASN 139 CO -0.04 0.82 -0.24 0.00 -1.29 0.00 0.00 177.43 176.69 1qi8 h ALA 140 N 1.25 0.72 0.00 -0.83 0.00 -0.40 -2.53 119.26 117.47 1qi8 h ALA 140 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1qi8 h ALA 140 Cb 0.53 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1qi8 h ALA 140 CO 0.03 0.67 0.00 -0.07 0.00 0.00 0.00 179.25 179.88 1qi8 h LEU 141 N 0.81 0.00 -0.26 0.00 3.38 -0.79 -3.09 115.31 115.35 1qi8 h LEU 141 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1qi8 h LEU 141 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1qi8 h LEU 141 CO 0.07 0.00 -0.51 0.00 0.09 0.00 0.00 178.44 178.09 1qi8 n ALA 142 N -2.07 3.61 -0.01 1.53 0.00 -0.80 -4.46 120.51 118.32 1qi8 n ALA 142 Ca 0.02 -0.44 0.04 0.00 0.00 0.00 0.00 53.44 53.05 1qi8 n ALA 142 Cb 0.36 -1.03 0.42 0.00 0.00 0.00 0.00 19.45 19.20 1qi8 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1qi8 h HIS 143 N 0.65 0.53 -0.48 0.00 6.17 -1.37 -2.50 115.15 118.14 1qi8 h HIS 143 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1qi8 h HIS 143 Cb 0.53 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.28 1qi8 h HIS 143 CO 0.00 0.34 0.00 1.63 0.71 0.00 0.00 177.93 180.61 1qi8 n LYS 144 N -4.47 2.30 -2.10 5.26 4.76 -1.26 -4.94 118.16 117.70 1qi8 n LYS 144 Ca 0.03 -2.00 -0.39 0.00 -2.87 0.00 0.00 58.31 53.09 1qi8 n LYS 144 Cb 0.06 -1.46 -0.00 0.00 -1.84 0.00 0.00 35.03 31.79 1qi8 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1qi8 s TYR 145 N -1.36 2.79 0.00 2.13 1.51 -0.94 -4.77 117.35 116.71 1qi8 s TYR 145 Ca 0.38 1.46 0.00 0.00 -1.01 0.00 0.00 57.07 57.89 1qi8 s TYR 145 Cb 0.20 -3.58 0.00 0.00 -0.11 0.00 0.00 41.96 38.47 1qi8 s TYR 145 CO 0.27 -1.95 0.00 -2.39 -1.11 0.00 0.00 175.55 170.37