#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qe9 s HIS -10 N 0.00 0.35 0.41 4.41 4.02 -1.26 -5.15 115.29 118.08 2qe9 s HIS -10 Ca 0.00 -0.49 -0.24 0.00 1.02 0.00 0.00 55.06 55.35 2qe9 s HIS -10 Cb 0.00 -0.24 -0.08 0.00 -1.02 0.00 0.00 32.58 31.24 2qe9 s HIS -10 CO 0.00 -0.15 1.10 -1.01 1.02 0.00 0.00 174.74 175.70 2qe9 s HIS -9 N -1.34 3.15 0.00 1.40 0.09 -1.26 -5.03 115.29 112.30 2qe9 s HIS -9 Ca -0.13 1.60 0.00 0.00 -0.00 0.00 0.00 55.06 56.53 2qe9 s HIS -9 Cb -0.09 -3.24 0.00 0.00 -0.00 0.00 0.00 32.58 29.25 2qe9 s HIS -9 CO -0.01 -0.95 0.00 -2.39 -0.00 0.00 0.00 174.74 171.39 2qe9 n HIS -8 N -0.12 0.00 -1.14 1.40 1.44 -1.26 -5.13 115.22 110.40 2qe9 n HIS -8 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 2qe9 n HIS -8 Cb 0.49 -0.30 0.00 0.00 0.12 0.00 0.00 29.99 30.30 2qe9 n HIS -8 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2qe9 n HIS -7 N -2.06 -2.55 -1.95 -1.40 -0.00 -1.26 -4.99 115.22 101.02 2qe9 n HIS -7 Ca 0.00 1.44 -0.40 0.00 -0.00 0.00 0.00 57.72 58.76 2qe9 n HIS -7 Cb 0.00 -2.77 -0.00 0.00 -0.00 0.00 0.00 29.99 27.22 2qe9 n HIS -7 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 2qe9 s GLU -6 N -2.39 4.03 -0.63 1.57 4.04 -1.26 -4.96 118.70 119.10 2qe9 s GLU -6 Ca 0.00 2.34 -0.21 0.00 0.04 0.00 0.00 54.97 57.14 2qe9 s GLU -6 Cb 0.00 -2.86 0.09 0.00 0.02 0.00 0.00 34.13 31.37 2qe9 s GLU -6 CO 0.00 -0.50 0.84 1.21 -1.84 0.00 0.00 175.26 174.96 2qe9 s ASN -5 N -0.47 6.18 0.14 0.83 3.84 -1.26 -4.92 114.94 119.28 2qe9 s ASN -5 Ca 0.55 -1.23 -0.16 0.00 0.21 0.00 0.00 52.86 52.23 2qe9 s ASN -5 Cb -0.42 -2.36 -0.01 0.00 -0.55 0.00 0.00 41.25 37.91 2qe9 s ASN -5 CO 0.55 -1.28 1.72 -0.07 -2.79 0.00 0.00 177.10 175.24 2qe9 h LEU -4 N 10.66 0.49 -0.23 3.21 3.38 -1.99 -1.50 115.31 129.32 2qe9 h LEU -4 Ca -0.29 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.63 2qe9 h LEU -4 Cb 1.08 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 2qe9 h LEU -4 CO 1.14 0.47 -0.21 0.22 0.09 0.00 0.00 178.44 180.16 2qe9 h TYR -3 N 0.48 -0.53 -0.15 1.13 3.20 -1.99 -0.55 116.97 118.55 2qe9 h TYR -3 Ca 0.13 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.06 2qe9 h TYR -3 Cb 0.10 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 2qe9 h TYR -3 CO -0.02 -0.28 0.01 0.35 -1.64 0.00 0.00 178.16 176.58 2qe9 h PHE -2 N -0.21 0.02 -0.74 -3.82 3.57 -1.92 -2.57 116.94 111.27 2qe9 h PHE -2 Ca 0.13 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 2qe9 h PHE -2 Cb 0.41 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 2qe9 h PHE -2 CO -0.36 -0.00 0.27 1.96 -2.23 0.00 0.00 178.31 177.95 2qe9 h GLN -1 N 0.07 1.10 -4.45 1.11 7.50 -1.12 -3.43 115.11 115.90 2qe9 h GLN -1 Ca 0.07 -0.20 -0.21 0.00 0.50 0.00 0.00 58.65 58.81 2qe9 h GLN -1 Cb 0.07 -0.18 0.05 0.00 0.05 0.00 0.00 27.48 27.48 2qe9 h GLN -1 CO -0.11 0.91 0.96 0.41 -1.50 0.00 0.00 178.83 179.51 2qe9 n GLY 0 N -0.88 0.90 2.29 3.46 0.00 -0.23 -4.76 105.19 105.97 2qe9 n GLY 0 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2qe9 n GLY 0 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qe9 n LYS 3 N 5.62 0.00 -0.16 1.61 5.02 -1.26 -4.92 118.16 124.06 2qe9 n LYS 3 Ca 0.17 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.36 2qe9 n LYS 3 Cb 0.17 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.18 2qe9 n LYS 3 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2qe9 h PHE 4 N 0.00 0.92 -0.51 2.13 0.04 -1.97 -1.28 116.94 116.26 2qe9 h PHE 4 Ca 0.00 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 60.57 2qe9 h PHE 4 Cb 0.00 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 37.89 2qe9 h PHE 4 CO 0.00 0.88 0.19 0.74 -0.60 0.00 0.00 178.31 179.52 2qe9 h PHE 5 N 0.69 0.80 0.02 -0.55 0.04 -1.97 -0.57 116.94 115.40 2qe9 h PHE 5 Ca 0.13 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.84 2qe9 h PHE 5 Cb 0.52 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.43 2qe9 h PHE 5 CO 0.04 0.67 -0.02 0.93 -0.60 0.00 0.00 178.31 179.33 2qe9 h GLU 6 N 0.69 -0.04 -0.14 1.51 5.08 -1.88 0.43 114.58 120.23 2qe9 h GLU 6 Ca 0.17 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 2qe9 h GLU 6 Cb 0.22 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 2qe9 h GLU 6 CO -0.01 -0.02 -0.15 -0.92 -1.00 0.00 0.00 179.01 176.90 2qe9 h TYR 7 N -0.04 -0.38 -0.47 4.33 3.20 -1.21 -1.52 116.97 120.88 2qe9 h TYR 7 Ca 0.00 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.92 2qe9 h TYR 7 Cb 0.04 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 2qe9 h TYR 7 CO -0.09 -0.22 0.27 -0.91 -1.64 0.00 0.00 178.16 175.57 2qe9 h ASN 8 N -0.18 0.43 -0.66 -2.11 2.35 -0.89 -0.79 115.58 113.73 2qe9 h ASN 8 Ca 0.10 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 2qe9 h ASN 8 Cb 0.32 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 2qe9 h ASN 8 CO -0.25 0.30 0.20 -0.50 -1.65 0.00 0.00 177.43 175.53 2qe9 h TRP 9 N 0.54 1.06 -0.43 1.19 6.55 -0.67 0.87 115.95 125.07 2qe9 h TRP 9 Ca 0.19 -0.11 -0.07 0.00 0.95 0.00 0.00 58.89 59.85 2qe9 h TRP 9 Cb 0.04 -0.31 -0.02 0.00 -0.86 0.00 0.00 29.16 28.02 2qe9 h TRP 9 CO -0.08 0.86 -0.01 1.96 -1.05 0.00 0.00 178.44 180.13 2qe9 h GLN 10 N 0.96 0.77 -0.30 0.49 4.20 -1.06 -1.58 115.11 118.58 2qe9 h GLN 10 Ca 0.21 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2qe9 h GLN 10 Cb 0.30 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2qe9 h GLN 10 CO -0.01 0.84 0.14 0.28 -0.67 0.00 0.00 178.83 179.41 2qe9 h VAL 11 N 0.60 1.16 -0.45 -0.54 2.07 -0.97 -2.26 116.25 115.87 2qe9 h VAL 11 Ca 0.12 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.18 2qe9 h VAL 11 Cb 0.50 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2qe9 h VAL 11 CO 0.02 0.17 0.26 -0.09 0.02 0.00 0.00 177.57 177.96 2qe9 h ARG 12 N 0.35 0.51 -0.56 1.57 2.43 -0.74 -1.13 114.38 116.81 2qe9 h ARG 12 Ca 0.10 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2qe9 h ARG 12 Cb 0.14 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 2qe9 h ARG 12 CO -0.01 0.34 0.21 -0.44 -1.51 0.00 0.00 179.97 178.55 2qe9 h ASP 13 N 0.52 0.76 -0.66 -3.80 3.32 -1.16 -0.29 116.42 115.11 2qe9 h ASP 13 Ca 0.18 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 2qe9 h ASP 13 Cb 0.02 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2qe9 h ASP 13 CO -0.09 0.69 0.20 1.56 -1.72 0.00 0.00 179.24 179.88 2qe9 h GLN 14 N 0.81 1.05 -0.66 3.56 1.08 -0.93 -1.24 115.11 118.78 2qe9 h GLN 14 Ca 0.19 -0.22 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 2qe9 h GLN 14 Cb 0.19 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 2qe9 h GLN 14 CO -0.01 0.91 0.17 -1.49 -0.95 0.00 0.00 178.83 177.45 2qe9 h TRP 15 N 1.01 1.09 -0.66 2.96 4.06 -0.38 0.16 115.95 124.19 2qe9 h TRP 15 Ca 0.22 -0.12 0.01 0.00 2.06 0.00 0.00 58.89 61.06 2qe9 h TRP 15 Cb 0.31 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 28.12 2qe9 h TRP 15 CO 0.02 0.88 0.43 0.74 -3.56 0.00 0.00 178.44 176.96 2qe9 h PHE 16 N 1.00 0.81 -0.37 0.49 0.04 -0.79 -0.96 116.94 117.17 2qe9 h PHE 16 Ca 0.21 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.99 2qe9 h PHE 16 Cb 0.34 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 2qe9 h PHE 16 CO 0.02 0.50 0.18 1.15 -0.60 0.00 0.00 178.31 179.57 2qe9 h THR 17 N 0.87 1.16 -0.98 -1.55 2.02 -0.82 -2.97 112.91 110.64 2qe9 h THR 17 Ca 0.25 -0.47 0.14 0.00 0.77 0.00 0.00 66.41 67.10 2qe9 h THR 17 Cb -0.08 0.80 -0.09 0.00 -1.74 0.00 0.00 68.15 67.04 2qe9 h THR 17 CO -0.06 0.17 0.60 -0.25 0.37 0.00 0.00 175.52 176.35 2qe9 h TRP 18 N 0.46 1.07 0.00 3.16 7.01 -0.33 -1.62 115.95 125.70 2qe9 h TRP 18 Ca 0.13 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 2qe9 h TRP 18 Cb 0.11 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 26.84 2qe9 h TRP 18 CO -0.02 0.35 -0.03 0.00 -2.79 0.00 0.00 178.44 175.96 2qe9 h HIS 20 N 0.00 0.00 0.00 0.00 3.86 -1.34 -2.34 115.15 115.34 2qe9 h HIS 20 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2qe9 h HIS 20 Cb 0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 2qe9 h HIS 20 CO 0.00 0.04 0.00 -0.56 0.86 0.00 0.00 177.93 178.27 2qe9 h GLN 21 N 0.00 0.00 -6.85 2.45 3.07 -1.69 -3.46 115.11 108.63 2qe9 h GLN 21 Ca -0.00 0.00 -0.50 0.00 0.09 0.00 0.00 58.65 58.24 2qe9 h GLN 21 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.73 2qe9 h GLN 21 CO 0.01 0.00 0.11 -0.51 0.09 0.00 0.00 178.83 178.53 2qe9 s LEU 22 N -5.30 3.79 0.77 0.06 1.43 -0.88 -5.09 118.68 113.47 2qe9 s LEU 22 Ca 0.08 1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 54.14 2qe9 s LEU 22 Cb 0.09 -3.98 0.06 0.00 0.03 0.00 0.00 46.19 42.39 2qe9 s LEU 22 CO 0.59 -0.43 1.13 0.42 0.23 0.00 0.00 176.35 178.29 2qe9 s THR 23 N -2.44 2.80 0.41 5.49 -4.23 -1.26 -4.87 115.64 111.54 2qe9 s THR 23 Ca 0.50 0.26 0.13 0.00 -1.18 0.00 0.00 61.69 61.41 2qe9 s THR 23 Cb -0.10 -3.20 0.14 0.00 1.34 0.00 0.00 72.50 70.68 2qe9 s THR 23 CO 0.34 -0.34 1.92 0.74 -0.54 0.00 0.00 174.62 176.74 2qe9 h THR 24 N -0.93 1.19 0.56 3.99 2.02 -1.98 -0.93 112.91 116.83 2qe9 h THR 24 Ca -0.46 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 65.77 2qe9 h THR 24 Cb 1.29 1.49 0.01 0.00 -1.74 0.00 0.00 68.15 69.19 2qe9 h THR 24 CO 0.64 0.26 -0.27 -0.33 0.37 0.00 0.00 175.52 176.19 2qe9 h GLU 25 N 0.01 -0.72 -0.93 6.66 3.07 -1.98 -1.92 114.58 118.77 2qe9 h GLU 25 Ca -0.00 0.05 0.05 0.00 -0.50 0.00 0.00 59.36 58.96 2qe9 h GLU 25 Cb 0.47 0.16 -0.06 0.00 -0.84 0.00 0.00 28.75 28.49 2qe9 h GLU 25 CO 0.03 -0.45 0.60 0.93 -1.40 0.00 0.00 179.01 178.72 2qe9 h GLU 26 N -0.82 1.09 -0.42 2.33 5.08 -1.89 -0.37 114.58 119.59 2qe9 h GLU 26 Ca -0.08 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2qe9 h GLU 26 Cb 0.60 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2qe9 h GLU 26 CO 0.13 0.72 0.24 -0.07 -1.00 0.00 0.00 179.01 179.03 2qe9 h LEU 27 N 1.13 0.51 -0.07 1.33 3.38 -1.09 -3.24 115.31 117.25 2qe9 h LEU 27 Ca 0.39 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2qe9 h LEU 27 Cb 0.08 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2qe9 h LEU 27 CO -0.15 0.42 -0.51 0.18 0.09 0.00 0.00 178.44 178.47 2qe9 n LEU 28 N -4.75 0.62 -4.70 1.67 4.77 -0.73 -2.36 117.00 111.52 2qe9 n LEU 28 Ca 0.01 -0.08 -0.43 0.00 -0.03 0.00 0.00 56.01 55.47 2qe9 n LEU 28 Cb 0.06 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 2qe9 n LEU 28 CO 0.35 0.15 1.08 1.17 -1.33 0.00 0.00 177.39 178.81 2qe9 n LYS 29 N -1.38 2.30 -2.58 3.23 4.81 -0.16 -4.86 118.16 119.51 2qe9 n LYS 29 Ca 0.06 0.82 -0.42 0.00 -0.87 0.00 0.00 58.31 57.89 2qe9 n LYS 29 Cb 0.34 -2.51 -0.03 0.00 0.02 0.00 0.00 35.03 32.85 2qe9 n LYS 29 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2qe9 s ASN 30 N 0.28 7.19 0.27 3.14 2.47 -1.26 -4.35 114.94 122.67 2qe9 s ASN 30 Ca 0.65 1.72 0.06 0.00 0.42 0.00 0.00 52.86 55.71 2qe9 s ASN 30 Cb -0.58 -2.56 -0.06 0.00 -1.45 0.00 0.00 41.25 36.60 2qe9 s ASN 30 CO 0.51 -0.45 -0.04 -0.13 -3.72 0.00 0.00 177.10 173.26 2qe9 s ARG 31 N 1.72 1.50 0.20 0.43 0.52 0.31 -5.01 118.95 118.62 2qe9 s ARG 31 Ca 0.53 -1.76 -0.27 0.00 -0.52 0.00 0.00 55.73 53.71 2qe9 s ARG 31 Cb -0.23 -1.02 -0.08 0.00 0.52 0.00 0.00 34.95 34.14 2qe9 s ARG 31 CO 0.23 0.00 0.85 -0.51 0.02 0.00 0.00 175.30 175.89 2qe9 s LEU 32 N -3.41 4.62 0.00 2.53 1.43 -1.26 -4.38 118.68 118.21 2qe9 s LEU 32 Ca 0.29 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 2qe9 s LEU 32 Cb 0.04 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.82 2qe9 s LEU 32 CO 0.11 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.49 2qe9 n GLY 33 N 1.54 2.51 7.00 -3.19 0.00 -1.26 -4.91 105.19 106.87 2qe9 n GLY 33 Ca -0.04 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2qe9 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qe9 n GLY 34 N 1.36 2.76 0.98 -0.02 0.00 -1.26 -1.61 105.19 107.40 2qe9 n GLY 34 Ca 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.85 2qe9 n GLY 34 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qe9 n VAL 35 N 0.00 1.00 0.00 1.61 0.24 -1.26 -4.97 118.33 114.95 2qe9 n VAL 35 Ca 0.00 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 2qe9 n VAL 35 Cb 0.00 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.25 2qe9 n VAL 35 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2qe9 n GLU 36 N 0.43 0.00 -4.11 7.34 1.02 -0.63 -4.74 120.64 119.95 2qe9 n GLU 36 Ca 0.13 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.16 2qe9 n GLU 36 Cb 0.55 -2.21 -0.11 0.00 -0.02 0.00 0.00 31.44 29.65 2qe9 n GLU 36 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2qe9 s ASN 37 N -1.81 0.90 0.05 1.62 2.20 -1.26 0.11 114.94 116.75 2qe9 s ASN 37 Ca 0.00 -0.81 -0.24 0.00 -0.94 0.00 0.00 52.86 50.86 2qe9 s ASN 37 Cb 0.00 0.09 -0.17 0.00 -2.00 0.00 0.00 41.25 39.17 2qe9 s ASN 37 CO 0.00 -0.38 1.57 0.40 -2.94 0.00 0.00 177.10 175.75 2qe9 h ILE 38 N 3.64 1.06 -0.45 0.54 2.04 -1.74 -0.85 117.51 121.75 2qe9 h ILE 38 Ca -0.35 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 2qe9 h ILE 38 Cb 1.18 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2qe9 h ILE 38 CO 0.55 0.09 0.15 0.25 0.00 0.00 0.00 178.15 179.19 2qe9 h LEU 39 N -0.23 0.65 -1.05 1.44 5.85 -1.84 -2.50 115.31 117.64 2qe9 h LEU 39 Ca -0.01 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 2qe9 h LEU 39 Cb 0.20 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2qe9 h LEU 39 CO 0.01 0.67 -0.08 0.22 -0.34 0.00 0.00 178.44 178.92 2qe9 h TYR 40 N 0.59 0.63 -0.43 1.25 3.20 -1.84 -0.98 116.97 119.40 2qe9 h TYR 40 Ca 0.15 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 61.96 2qe9 h TYR 40 Cb 0.25 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 2qe9 h TYR 40 CO 0.01 0.66 0.22 1.15 -1.64 0.00 0.00 178.16 178.56 2qe9 h THR 41 N 0.55 0.99 -0.40 1.81 2.02 -0.80 0.30 112.91 117.38 2qe9 h THR 41 Ca 0.11 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 2qe9 h THR 41 Cb 0.47 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2qe9 h THR 41 CO 0.02 0.08 0.10 -0.07 0.37 0.00 0.00 175.52 176.02 2qe9 h LEU 42 N 0.45 0.61 -0.35 2.58 3.38 -1.10 -1.26 115.31 119.62 2qe9 h LEU 42 Ca 0.18 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2qe9 h LEU 42 Cb 0.07 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2qe9 h LEU 42 CO -0.12 0.68 0.21 0.15 0.09 0.00 0.00 178.44 179.46 2qe9 h PHE 43 N 0.51 0.40 -0.74 1.13 3.57 -0.95 -2.29 116.94 118.57 2qe9 h PHE 43 Ca 0.13 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2qe9 h PHE 43 Cb 0.31 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 2qe9 h PHE 43 CO 0.02 0.24 0.48 1.25 -2.23 0.00 0.00 178.31 178.07 2qe9 h HIS 44 N 0.43 0.94 -0.07 0.41 2.76 -0.32 -0.73 115.15 118.57 2qe9 h HIS 44 Ca 0.13 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.34 2qe9 h HIS 44 Cb -0.01 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.61 2qe9 h HIS 44 CO -0.07 0.61 -0.03 0.82 -1.30 0.00 0.00 177.93 177.95 2qe9 h ILE 45 N 1.01 0.89 -0.21 6.26 2.04 -0.96 -1.55 117.51 124.99 2qe9 h ILE 45 Ca 0.27 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.99 2qe9 h ILE 45 Cb -0.09 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2qe9 h ILE 45 CO -0.06 0.00 -0.44 0.16 0.00 0.00 0.00 178.15 177.81 2qe9 h ILE 46 N -0.03 1.31 0.16 -0.67 3.07 -1.22 -1.98 117.51 118.16 2qe9 h ILE 46 Ca 0.04 -1.63 -0.01 0.00 1.55 0.00 0.00 64.86 64.82 2qe9 h ILE 46 Cb 0.09 1.63 0.00 0.00 -0.27 0.00 0.00 36.82 38.27 2qe9 h ILE 46 CO -0.09 0.51 -0.08 -0.78 -1.05 0.00 0.00 178.15 176.66 2qe9 h ASP 47 N 0.42 -0.18 -0.31 2.16 3.58 -1.03 -1.38 116.42 119.67 2qe9 h ASP 47 Ca 0.03 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 2qe9 h ASP 47 Cb 0.94 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 2qe9 h ASP 47 CO 0.08 -0.01 0.13 0.58 -2.88 0.00 0.00 179.24 177.14 2qe9 h VAL 48 N -0.35 1.18 -0.09 2.25 2.07 -1.24 -1.08 116.25 118.99 2qe9 h VAL 48 Ca -0.02 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 66.98 2qe9 h VAL 48 Cb 0.27 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2qe9 h VAL 48 CO 0.04 0.19 -0.02 -0.08 0.02 0.00 0.00 177.57 177.71 2qe9 h GLU 49 N 0.35 -0.00 -0.35 1.57 4.81 -1.35 -2.37 114.58 117.23 2qe9 h GLU 49 Ca 0.10 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2qe9 h GLU 49 Cb 0.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2qe9 h GLU 49 CO -0.01 -0.00 0.07 -0.92 -0.73 0.00 0.00 179.01 177.42 2qe9 h TYR 50 N -0.00 0.61 -0.54 0.92 3.20 -1.12 -2.28 116.97 117.75 2qe9 h TYR 50 Ca 0.04 -0.08 0.09 0.00 3.14 0.00 0.00 58.73 61.93 2qe9 h TYR 50 Cb 0.07 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.10 2qe9 h TYR 50 CO -0.14 0.63 0.12 0.77 -1.64 0.00 0.00 178.16 177.89 2qe9 h SER 51 N 0.42 0.03 -0.32 -2.11 0.02 -1.07 0.15 113.55 110.67 2qe9 h SER 51 Ca 0.11 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 2qe9 h SER 51 Cb 0.34 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2qe9 h SER 51 CO 0.00 0.03 -0.04 -0.50 -1.14 0.00 0.00 176.83 175.19 2qe9 h TRP 52 N 0.26 0.66 -0.99 3.45 4.06 -1.36 -0.82 115.95 121.20 2qe9 h TRP 52 Ca 0.28 -0.13 0.02 0.00 2.06 0.00 0.00 58.89 61.11 2qe9 h TRP 52 Cb 0.38 -0.16 -0.05 0.00 -1.00 0.00 0.00 29.16 28.32 2qe9 h TRP 52 CO -0.23 0.75 0.65 0.82 -3.56 0.00 0.00 178.44 176.87 2qe9 h ILE 53 N 0.38 1.23 -0.61 1.49 1.08 -1.06 0.19 117.51 120.20 2qe9 h ILE 53 Ca 0.08 -0.45 -0.06 0.00 -0.39 0.00 0.00 64.86 64.04 2qe9 h ILE 53 Cb 0.51 -0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.04 2qe9 h ILE 53 CO 0.02 0.24 0.14 0.03 -0.69 0.00 0.00 178.15 177.90 2qe9 h ARG 54 N 1.32 0.96 -0.66 2.37 2.47 -0.55 0.31 114.38 120.60 2qe9 h ARG 54 Ca 0.37 -0.21 -0.01 0.00 -1.26 0.00 0.00 59.98 58.87 2qe9 h ARG 54 Cb -0.11 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.04 2qe9 h ARG 54 CO -0.09 0.86 0.37 0.00 0.56 0.00 0.00 179.97 181.66 2qe9 h ALA 55 N 1.24 0.85 -0.47 0.04 0.00 0.08 0.82 119.26 121.81 2qe9 h ALA 55 Ca 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2qe9 h ALA 55 Cb 0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2qe9 h ALA 55 CO 0.00 0.36 0.23 0.82 0.00 0.00 0.00 179.25 180.67 2qe9 h ILE 56 N 0.91 1.18 0.00 0.00 2.04 -0.60 -2.11 117.51 118.93 2qe9 h ILE 56 Ca 0.23 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2qe9 h ILE 56 Cb 0.04 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2qe9 h ILE 56 CO -0.04 0.20 -0.04 -0.61 0.00 0.00 0.00 178.15 177.66 2qe9 h GLN 57 N 0.62 0.00 0.00 2.37 4.15 -0.64 -3.46 115.11 118.14 2qe9 h GLN 57 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 2qe9 h GLN 57 Cb 0.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.80 2qe9 h GLN 57 CO -0.02 0.04 0.00 0.41 -1.93 0.00 0.00 178.83 177.33 2qe9 n GLY 58 N -0.74 0.79 3.77 2.39 0.00 -0.39 -5.07 105.19 105.93 2qe9 n GLY 58 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2qe9 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qe9 s LYS 59 N -0.71 2.95 0.06 1.61 1.02 0.15 -4.98 119.74 119.84 2qe9 s LYS 59 Ca 0.00 -0.61 0.08 0.00 0.02 0.00 0.00 55.97 55.47 2qe9 s LYS 59 Cb 0.00 -2.78 -0.03 0.00 -0.52 0.00 0.00 37.83 34.50 2qe9 s LYS 59 CO 0.00 0.60 -0.21 -2.00 -0.92 0.00 0.00 175.35 172.82 2qe9 s GLU 60 N -2.09 1.89 0.13 1.68 2.12 -1.26 -3.57 118.70 117.59 2qe9 s GLU 60 Ca 0.26 -1.08 0.06 0.00 0.36 0.00 0.00 54.97 54.58 2qe9 s GLU 60 Cb -0.12 -2.09 -0.04 0.00 0.26 0.00 0.00 34.13 32.14 2qe9 s GLU 60 CO 0.18 0.52 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.76 2qe9 s ASP 61 N -1.53 2.08 0.28 -1.70 1.01 -1.26 -5.13 116.67 110.41 2qe9 s ASP 61 Ca 0.14 -0.81 -0.29 0.00 0.71 0.00 0.00 52.55 52.29 2qe9 s ASP 61 Cb -0.10 -0.08 -0.10 0.00 1.01 0.00 0.00 42.92 43.65 2qe9 s ASP 61 CO 0.05 -0.13 1.18 0.27 0.21 0.00 0.00 175.17 176.75 2qe9 s ILE 62 N -2.12 3.28 0.19 0.77 -4.36 -1.26 -4.94 121.20 112.76 2qe9 s ILE 62 Ca 0.10 1.25 -0.33 0.00 -0.26 0.00 0.00 60.65 61.40 2qe9 s ILE 62 Cb -0.05 -3.79 -0.14 0.00 1.25 0.00 0.00 42.46 39.73 2qe9 s ILE 62 CO 0.03 0.28 1.55 0.00 0.24 0.00 0.00 174.94 177.04 2qe9 n ALA 63 N 1.33 1.46 -2.67 2.27 0.00 -1.26 -4.94 120.51 116.70 2qe9 n ALA 63 Ca 0.00 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.46 2qe9 n ALA 63 Cb 0.44 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.51 2qe9 n ALA 63 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qe9 s VAL 64 N 0.65 4.85 -0.22 0.00 1.01 -1.26 -5.03 120.40 120.39 2qe9 s VAL 64 Ca 0.75 2.02 -0.09 0.00 0.00 0.00 0.00 61.98 64.66 2qe9 s VAL 64 Cb -0.65 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.39 2qe9 s VAL 64 CO 0.41 0.18 0.11 -1.10 0.00 0.00 0.00 175.10 174.71 2qe9 s GLN 65 N 0.89 3.98 0.45 2.72 -1.52 -1.26 -4.98 119.66 119.93 2qe9 s GLN 65 Ca 0.50 -0.33 0.18 0.00 -1.95 0.00 0.00 55.36 53.77 2qe9 s GLN 65 Cb -0.21 -3.40 1.13 0.00 -0.22 0.00 0.00 33.01 30.31 2qe9 s GLN 65 CO 0.27 0.09 1.94 0.35 -0.25 0.00 0.00 175.29 177.70 2qe9 h PHE 66 N 7.35 0.37 -0.85 0.91 3.57 -1.95 -1.01 116.94 125.32 2qe9 h PHE 66 Ca -0.38 0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.33 2qe9 h PHE 66 Cb 1.17 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 2qe9 h PHE 66 CO 0.63 0.14 0.57 0.00 -2.23 0.00 0.00 178.31 177.43 2qe9 h ALA 67 N 1.66 2.25 0.00 2.41 0.00 -2.02 0.89 119.26 124.46 2qe9 h ALA 67 Ca 0.34 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2qe9 h ALA 67 Cb 0.89 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2qe9 h ALA 67 CO -0.09 -0.51 0.00 -0.25 0.00 0.00 0.00 179.25 178.40 2qe9 n ASP 68 N -4.47 0.00 -3.15 0.00 8.00 -0.38 -4.21 116.55 112.33 2qe9 n ASP 68 Ca 0.18 0.08 -0.22 0.00 0.71 0.00 0.00 54.79 55.53 2qe9 n ASP 68 Cb 0.68 -0.35 -0.04 0.00 -0.02 0.00 0.00 41.12 41.38 2qe9 n ASP 68 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2qe9 n TYR 69 N -1.35 1.37 0.30 1.24 4.02 0.31 -4.97 117.16 118.08 2qe9 n TYR 69 Ca 0.11 -3.85 0.05 0.00 -0.01 0.00 0.00 57.90 54.20 2qe9 n TYR 69 Cb 0.25 -0.44 0.20 0.00 -0.02 0.00 0.00 39.34 39.34 2qe9 n TYR 69 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2qe9 n GLN 70 N 0.38 2.60 -4.20 -0.72 1.13 -1.23 -4.59 117.38 110.74 2qe9 n GLN 70 Ca 0.26 -1.59 -0.14 0.00 -1.94 0.00 0.00 57.00 53.59 2qe9 n GLN 70 Cb 0.55 -1.65 -0.10 0.00 0.11 0.00 0.00 30.24 29.14 2qe9 n GLN 70 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2qe9 s THR 71 N -1.74 1.02 0.15 5.09 -4.23 -1.26 -5.06 115.64 109.61 2qe9 s THR 71 Ca 0.28 -1.82 -0.16 0.00 -1.18 0.00 0.00 61.69 58.81 2qe9 s THR 71 Cb 0.19 -1.57 0.01 0.00 1.34 0.00 0.00 72.50 72.46 2qe9 s THR 71 CO 0.13 -0.65 1.81 0.25 -0.54 0.00 0.00 174.62 175.62 2qe9 h LEU 72 N 3.23 0.45 -0.83 4.79 5.85 -1.99 -2.15 115.31 124.66 2qe9 h LEU 72 Ca -0.37 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.37 2qe9 h LEU 72 Cb 1.19 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 2qe9 h LEU 72 CO 0.58 0.33 0.52 0.78 -0.34 0.00 0.00 178.44 180.31 2qe9 h ASN 73 N 0.53 0.86 -0.55 1.25 2.35 -1.98 0.43 115.58 118.46 2qe9 h ASN 73 Ca 0.14 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 2qe9 h ASN 73 Cb -0.06 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2qe9 h ASN 73 CO -0.03 0.58 0.12 0.11 -1.65 0.00 0.00 177.43 176.56 2qe9 h LYS 74 N 1.01 0.90 -0.38 0.81 1.57 -1.88 -0.18 116.57 118.42 2qe9 h LYS 74 Ca 0.34 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 2qe9 h LYS 74 Cb 0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2qe9 h LYS 74 CO -0.13 0.85 -0.18 0.28 -0.57 0.00 0.00 179.45 179.70 2qe9 h VAL 75 N 0.80 1.28 -0.61 0.50 2.07 -1.09 -1.35 116.25 117.85 2qe9 h VAL 75 Ca 0.17 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 2qe9 h VAL 75 Cb 0.37 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2qe9 h VAL 75 CO 0.01 0.44 0.38 0.50 0.02 0.00 0.00 177.57 178.91 2qe9 h LYS 76 N 0.60 0.82 -0.68 1.57 1.63 -0.77 -0.41 116.57 119.33 2qe9 h LYS 76 Ca 0.08 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 2qe9 h LYS 76 Cb 0.74 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 32.16 2qe9 h LYS 76 CO 0.06 0.57 0.29 0.77 -3.45 0.00 0.00 179.45 177.68 2qe9 h SER 77 N 0.82 0.93 -0.60 4.20 0.02 -0.94 -2.05 113.55 115.93 2qe9 h SER 77 Ca 0.22 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2qe9 h SER 77 Cb -0.04 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 2qe9 h SER 77 CO -0.04 0.84 0.32 0.25 -1.14 0.00 0.00 176.83 177.06 2qe9 h LEU 78 N 0.97 0.76 -0.20 5.07 5.85 -1.01 -0.91 115.31 125.83 2qe9 h LEU 78 Ca 0.23 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.89 2qe9 h LEU 78 Cb 0.19 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2qe9 h LEU 78 CO -0.02 0.65 -0.12 -1.28 -0.34 0.00 0.00 178.44 177.33 2qe9 h SER 79 N 0.82 -0.39 -0.77 1.25 0.87 -0.71 -0.61 113.55 113.99 2qe9 h SER 79 Ca 0.21 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 2qe9 h SER 79 Cb 0.06 0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 2qe9 h SER 79 CO -0.03 -0.16 0.36 0.78 -0.53 0.00 0.00 176.83 177.26 2qe9 h ASN 80 N -0.11 1.02 0.07 6.23 2.35 -1.19 -1.15 115.58 122.80 2qe9 h ASN 80 Ca 0.11 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2qe9 h ASN 80 Cb 0.28 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2qe9 h ASN 80 CO -0.27 0.87 -0.03 0.74 -1.65 0.00 0.00 177.43 177.09 2qe9 h THR 81 N 1.09 1.00 -0.97 2.81 2.02 -0.78 -2.40 112.91 115.68 2qe9 h THR 81 Ca 0.26 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 67.23 2qe9 h THR 81 Cb 0.13 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 2qe9 h THR 81 CO -0.03 0.06 0.63 -0.26 0.37 0.00 0.00 175.52 176.28 2qe9 h PHE 82 N -0.19 1.24 -0.74 3.16 0.04 -1.07 -3.01 116.94 116.37 2qe9 h PHE 82 Ca -0.01 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.81 2qe9 h PHE 82 Cb 0.16 -0.42 -0.04 0.00 2.20 0.00 0.00 35.95 37.85 2qe9 h PHE 82 CO -0.04 0.80 0.47 -0.09 -0.60 0.00 0.00 178.31 178.85 2qe9 h ARG 83 N 1.33 0.90 -0.63 1.51 2.43 -1.04 -0.72 114.38 118.16 2qe9 h ARG 83 Ca 0.35 -0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.58 2qe9 h ARG 83 Cb -0.13 -0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 29.14 2qe9 h ARG 83 CO -0.07 0.60 0.21 1.15 -1.51 0.00 0.00 179.97 180.34 2qe9 h THR 84 N 0.93 0.71 -0.25 0.20 2.02 -1.29 -0.37 112.91 114.85 2qe9 h THR 84 Ca 0.29 -0.12 -0.14 0.00 0.77 0.00 0.00 66.41 67.21 2qe9 h THR 84 Cb -0.00 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2qe9 h THR 84 CO -0.10 0.07 -0.38 -0.33 0.37 0.00 0.00 175.52 175.14 2qe9 h GLU 85 N 0.36 0.71 -0.62 6.66 4.39 -1.48 -3.16 114.58 121.44 2qe9 h GLU 85 Ca 0.33 -0.42 0.02 0.00 0.34 0.00 0.00 59.36 59.63 2qe9 h GLU 85 Cb 0.45 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 2qe9 h GLU 85 CO -0.36 1.04 0.39 0.82 -1.16 0.00 0.00 179.01 179.75 2qe9 h ILE 86 N 0.43 1.10 -0.67 3.13 2.04 -0.60 -2.06 117.51 120.88 2qe9 h ILE 86 Ca 0.02 -0.27 0.05 0.00 1.00 0.00 0.00 64.86 65.67 2qe9 h ILE 86 Cb 0.97 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 2qe9 h ILE 86 CO 0.09 0.14 0.39 0.40 0.00 0.00 0.00 178.15 179.17 2qe9 h ILE 87 N 0.77 1.01 -0.51 -0.67 2.04 -1.13 -0.39 117.51 118.63 2qe9 h ILE 87 Ca 0.25 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2qe9 h ILE 87 Cb -0.01 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 2qe9 h ILE 87 CO -0.09 0.13 0.23 0.44 0.00 0.00 0.00 178.15 178.86 2qe9 h ASP 88 N 0.73 0.69 -0.54 1.72 3.32 -1.42 -0.09 116.42 120.83 2qe9 h ASP 88 Ca 0.29 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 2qe9 h ASP 88 Cb 0.13 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2qe9 h ASP 88 CO -0.15 0.64 0.11 0.58 -1.72 0.00 0.00 179.24 178.70 2qe9 h VAL 89 N 0.68 1.25 -0.36 -1.35 2.07 -0.84 -2.74 116.25 114.97 2qe9 h VAL 89 Ca 0.17 -0.92 -0.14 0.00 0.82 0.00 0.00 66.70 66.64 2qe9 h VAL 89 Cb 0.16 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2qe9 h VAL 89 CO -0.02 0.33 -0.32 -0.07 0.02 0.00 0.00 177.57 177.51 2qe9 h LEU 90 N 0.77 0.84 0.00 2.57 3.38 -0.98 -2.96 115.31 118.93 2qe9 h LEU 90 Ca 0.17 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2qe9 h LEU 90 Cb 0.37 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2qe9 h LEU 90 CO 0.01 1.09 0.00 0.00 0.09 0.00 0.00 178.44 179.63 2qe9 n GLN 91 N -4.07 0.20 -3.21 1.13 1.13 -0.06 -4.69 117.38 107.81 2qe9 n GLN 91 Ca -0.01 0.15 -0.41 0.00 -1.94 0.00 0.00 57.00 54.79 2qe9 n GLN 91 Cb 0.49 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.27 2qe9 n GLN 91 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2qe9 s THR 92 N -2.61 5.01 -0.21 5.09 -4.23 -1.05 -5.06 115.64 112.57 2qe9 s THR 92 Ca 0.14 0.60 -0.10 0.00 -1.18 0.00 0.00 61.69 61.15 2qe9 s THR 92 Cb 0.10 -3.94 0.08 0.00 1.34 0.00 0.00 72.50 70.09 2qe9 s THR 92 CO 0.24 -0.13 0.48 -1.00 -0.54 0.00 0.00 174.62 173.68 2qe9 s HIS 93 N 2.43 -0.81 0.00 3.99 3.76 -1.26 -5.01 115.29 118.39 2qe9 s HIS 93 Ca 0.21 1.60 0.00 0.00 -0.15 0.00 0.00 55.06 56.72 2qe9 s HIS 93 Cb -0.15 0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.93 2qe9 s HIS 93 CO 0.12 -0.44 0.00 -0.85 -0.85 0.00 0.00 174.74 172.72 2qe9 n GLU 100 N 4.70 0.00 -1.92 1.40 0.00 -1.26 -5.29 120.64 118.27 2qe9 n GLU 100 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.61 2qe9 n GLU 100 Cb 0.54 0.00 0.03 0.00 0.00 0.00 0.00 31.44 32.00 2qe9 n GLU 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2qe9 s LEU 101 N 0.00 3.89 -0.19 -1.84 1.43 -1.26 -4.39 118.68 116.31 2qe9 s LEU 101 Ca 0.00 2.62 -0.03 0.00 -1.03 0.00 0.00 54.13 55.69 2qe9 s LEU 101 Cb 0.00 -4.28 -0.01 0.00 0.03 0.00 0.00 46.19 41.93 2qe9 s LEU 101 CO 0.00 -1.39 -0.06 -0.69 0.23 0.00 0.00 176.35 174.44 2qe9 s VAL 102 N -1.38 3.34 0.30 -1.59 1.01 0.12 -4.92 120.40 117.28 2qe9 s VAL 102 Ca 0.70 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 2qe9 s VAL 102 Cb -0.37 -2.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.46 2qe9 s VAL 102 CO 0.44 0.45 0.60 -0.94 0.00 0.00 0.00 175.10 175.65 2qe9 s SER 103 N 1.13 6.53 -0.04 3.32 1.04 -1.26 -1.13 113.70 123.29 2qe9 s SER 103 Ca 0.01 0.89 0.05 0.00 0.48 0.00 0.00 55.95 57.39 2qe9 s SER 103 Cb -0.15 -2.22 -0.01 0.00 0.10 0.00 0.00 66.02 63.75 2qe9 s SER 103 CO -0.01 -0.20 -0.20 0.68 0.98 0.00 0.00 173.24 174.49 2qe9 s VAL 104 N -2.06 1.65 0.33 5.02 -7.23 -1.26 -4.83 120.40 112.02 2qe9 s VAL 104 Ca 0.47 -0.86 0.01 0.00 -1.81 0.00 0.00 61.98 59.80 2qe9 s VAL 104 Cb -0.11 -1.40 0.23 0.00 0.56 0.00 0.00 36.38 35.67 2qe9 s VAL 104 CO 0.27 0.47 1.96 -0.65 -0.31 0.00 0.00 175.10 176.83 2qe9 h PRO 105 N 6.02 0.83 0.23 4.82 0.11 -1.98 -3.12 132.00 138.90 2qe9 h PRO 105 Ca -0.34 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 2qe9 h PRO 105 Cb 1.16 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2qe9 h PRO 105 CO 0.48 0.61 -0.11 0.11 -0.21 0.00 0.00 178.00 178.87 2qe9 h TRP 106 N 0.83 -0.29 -2.91 0.65 0.09 -2.02 -3.41 115.95 108.90 2qe9 h TRP 106 Ca 0.21 -0.01 -0.72 0.00 0.09 0.00 0.00 58.89 58.47 2qe9 h TRP 106 Cb 0.02 0.10 -0.20 0.00 0.08 0.00 0.00 29.16 29.15 2qe9 h TRP 106 CO 0.00 0.01 0.50 -1.21 0.09 0.00 0.00 178.44 177.83 2qe9 s GLU 107 N -5.01 3.50 0.57 0.12 2.02 -1.18 -5.06 118.70 113.67 2qe9 s GLU 107 Ca -0.15 -1.87 -0.18 0.00 0.02 0.00 0.00 54.97 52.79 2qe9 s GLU 107 Cb 0.03 -4.65 -0.05 0.00 0.10 0.00 0.00 34.13 29.57 2qe9 s GLU 107 CO 0.60 -1.60 1.13 -0.08 0.02 0.00 0.00 175.26 175.32 2qe9 s THR 108 N 2.00 3.17 0.00 3.63 -1.32 -1.26 -3.74 115.64 118.11 2qe9 s THR 108 Ca 0.25 0.68 0.00 0.00 -1.21 0.00 0.00 61.69 61.41 2qe9 s THR 108 Cb -0.10 -3.25 0.00 0.00 -1.51 0.00 0.00 72.50 67.65 2qe9 s THR 108 CO -0.06 -0.20 0.00 0.61 -2.21 0.00 0.00 174.62 172.76 2qe9 n GLY 109 N 0.02 0.38 3.04 6.08 0.00 -1.26 -5.00 105.19 108.46 2qe9 n GLY 109 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 2qe9 n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qe9 s VAL 110 N -2.01 0.77 0.03 1.61 0.11 -1.25 -5.13 120.40 114.53 2qe9 s VAL 110 Ca 0.00 -0.53 0.04 0.00 -2.93 0.00 0.00 61.98 58.57 2qe9 s VAL 110 Cb 0.00 -0.66 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 2qe9 s VAL 110 CO 0.00 0.14 -0.13 -0.76 -3.33 0.00 0.00 175.10 171.02 2qe9 s LEU 111 N -0.44 2.15 0.19 2.54 1.02 -1.26 -4.46 118.68 118.41 2qe9 s LEU 111 Ca 0.02 -0.42 0.11 0.00 0.02 0.00 0.00 54.13 53.87 2qe9 s LEU 111 Cb -0.05 -0.56 -0.04 0.00 0.02 0.00 0.00 46.19 45.56 2qe9 s LEU 111 CO -0.00 0.03 -0.23 -0.31 0.02 0.00 0.00 176.35 175.86 2qe9 s TYR 112 N -0.78 2.24 0.55 0.29 2.02 -0.29 -4.89 117.35 116.49 2qe9 s TYR 112 Ca 0.01 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.19 2qe9 s TYR 112 Cb -0.07 -1.12 -0.06 0.00 -0.40 0.00 0.00 41.96 40.31 2qe9 s TYR 112 CO 0.01 0.47 1.00 0.95 -1.57 0.00 0.00 175.55 176.41 2qe9 s THR 113 N -1.68 4.48 0.20 -0.71 -4.23 -1.26 0.16 115.64 112.59 2qe9 s THR 113 Ca 0.20 1.10 -0.11 0.00 -1.18 0.00 0.00 61.69 61.70 2qe9 s THR 113 Cb -0.08 -3.71 0.11 0.00 1.34 0.00 0.00 72.50 70.17 2qe9 s THR 113 CO 0.09 -0.76 1.78 -0.09 -0.54 0.00 0.00 174.62 175.10 2qe9 h ARG 114 N 0.59 0.50 -0.39 3.99 2.43 -1.96 -2.47 114.38 117.08 2qe9 h ARG 114 Ca -0.46 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 58.74 2qe9 h ARG 114 Cb 1.19 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.57 2qe9 h ARG 114 CO 0.61 0.33 0.08 0.22 -1.51 0.00 0.00 179.97 179.70 2qe9 h ASP 115 N 0.52 0.01 -0.61 -3.80 3.58 -1.96 -0.16 116.42 114.00 2qe9 h ASP 115 Ca 0.27 0.06 0.08 0.00 0.42 0.00 0.00 57.03 57.86 2qe9 h ASP 115 Cb 0.22 0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.30 2qe9 h ASP 115 CO -0.21 0.04 0.28 -0.08 -2.88 0.00 0.00 179.24 176.40 2qe9 h GLU 116 N 0.21 0.50 -0.35 0.28 4.57 -1.84 -1.69 114.58 116.25 2qe9 h GLU 116 Ca 0.19 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 2qe9 h GLU 116 Cb 0.22 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2qe9 h GLU 116 CO -0.24 0.33 0.09 0.82 -1.18 0.00 0.00 179.01 178.83 2qe9 h ILE 117 N 0.51 1.22 -0.58 2.32 2.04 -0.99 -1.87 117.51 120.15 2qe9 h ILE 117 Ca 0.29 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.44 2qe9 h ILE 117 Cb 0.29 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 2qe9 h ILE 117 CO -0.24 0.25 0.36 -0.07 0.00 0.00 0.00 178.15 178.45 2qe9 h LEU 118 N 0.42 0.60 -0.49 1.44 3.38 -0.73 -0.58 115.31 119.35 2qe9 h LEU 118 Ca 0.11 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.15 2qe9 h LEU 118 Cb 0.29 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 2qe9 h LEU 118 CO -0.00 0.42 0.18 0.45 0.09 0.00 0.00 178.44 179.58 2qe9 h HIS 119 N 0.72 0.31 -0.14 1.13 3.86 -1.18 -1.86 115.15 118.00 2qe9 h HIS 119 Ca 0.23 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2qe9 h HIS 119 Cb 0.00 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 2qe9 h HIS 119 CO -0.05 0.10 0.07 1.25 0.86 0.00 0.00 177.93 180.16 2qe9 h HIS 120 N 0.35 0.19 -0.18 2.45 -0.00 -0.69 -1.76 115.15 115.53 2qe9 h HIS 120 Ca 0.23 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.62 2qe9 h HIS 120 Cb 0.24 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.56 2qe9 h HIS 120 CO -0.16 0.22 0.00 0.82 -0.00 0.00 0.00 177.93 178.81 2qe9 h ILE 121 N 0.11 0.88 0.12 6.26 2.04 -1.04 -1.11 117.51 124.77 2qe9 h ILE 121 Ca 0.05 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2qe9 h ILE 121 Cb 0.09 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2qe9 h ILE 121 CO -0.01 0.01 -0.06 0.40 0.00 0.00 0.00 178.15 178.50 2qe9 h ILE 122 N 0.06 0.89 -0.50 -0.67 2.04 -1.24 -2.50 117.51 115.59 2qe9 h ILE 122 Ca 0.08 -0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 2qe9 h ILE 122 Cb 0.10 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 2qe9 h ILE 122 CO -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 178.15 178.01 2qe9 h ALA 123 N 0.73 1.06 -0.52 1.87 0.00 -1.31 -2.89 119.26 118.21 2qe9 h ALA 123 Ca -0.02 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.66 2qe9 h ALA 123 Cb 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2qe9 h ALA 123 CO 0.03 0.59 0.29 1.25 0.00 0.00 0.00 179.25 181.40 2qe9 h HIS 124 N 0.77 0.54 -0.02 0.00 6.17 -0.99 -0.42 115.15 121.21 2qe9 h HIS 124 Ca 0.15 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.24 2qe9 h HIS 124 Cb 0.47 -0.17 -0.00 0.00 2.52 0.00 0.00 27.41 30.23 2qe9 h HIS 124 CO 0.03 0.29 -0.01 1.49 0.71 0.00 0.00 177.93 180.44 2qe9 h GLU 125 N 0.57 0.04 -0.87 5.26 4.81 -1.37 -2.77 114.58 120.24 2qe9 h GLU 125 Ca 0.22 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.48 2qe9 h GLU 125 Cb 0.07 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.39 2qe9 h GLU 125 CO -0.12 0.43 0.55 0.82 -0.73 0.00 0.00 179.01 179.96 2qe9 h ILE 126 N -0.35 1.08 0.16 2.32 2.04 -1.38 -0.51 117.51 120.87 2qe9 h ILE 126 Ca 0.00 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.53 2qe9 h ILE 126 Cb 0.42 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 2qe9 h ILE 126 CO 0.00 0.19 -0.28 -0.74 0.00 0.00 0.00 178.15 177.32 2qe9 h HIS 127 N 1.02 -0.76 -0.40 1.37 2.76 -1.07 -1.24 115.15 116.83 2qe9 h HIS 127 Ca 0.37 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.47 2qe9 h HIS 127 Cb 0.12 0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 2qe9 h HIS 127 CO -0.03 -0.39 -0.10 0.45 -1.30 0.00 0.00 177.93 176.56 2qe9 h HIS 128 N -0.52 0.76 -0.68 5.26 3.86 -1.16 -2.59 115.15 120.08 2qe9 h HIS 128 Ca 0.02 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.08 2qe9 h HIS 128 Cb 0.53 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 2qe9 h HIS 128 CO -0.24 0.77 0.33 0.82 0.86 0.00 0.00 177.93 180.47 2qe9 h ILE 129 N 0.64 1.22 -0.90 2.45 1.08 -1.00 -1.86 117.51 119.13 2qe9 h ILE 129 Ca 0.11 -0.61 0.06 0.00 -0.39 0.00 0.00 64.86 64.04 2qe9 h ILE 129 Cb 0.54 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 34.58 2qe9 h ILE 129 CO 0.03 0.26 0.59 1.23 -0.69 0.00 0.00 178.15 179.57 2qe9 h GLY 130 N 1.03 1.31 1.02 5.37 0.00 -0.84 -2.13 103.07 108.84 2qe9 h GLY 130 Ca 0.24 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 2qe9 h GLY 130 CO -0.03 0.32 0.37 1.46 0.00 0.00 0.00 176.54 178.65 2qe9 h GLN 131 N 1.05 1.11 -0.64 4.80 4.20 -1.15 -2.88 115.11 121.59 2qe9 h GLN 131 Ca 0.38 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2qe9 h GLN 131 Cb 0.16 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2qe9 h GLN 131 CO -0.14 0.86 0.41 -0.07 -0.67 0.00 0.00 178.83 179.22 2qe9 h LEU 132 N 1.08 0.74 -1.74 1.46 3.38 -0.93 -2.12 115.31 117.18 2qe9 h LEU 132 Ca 0.26 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2qe9 h LEU 132 Cb 0.12 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2qe9 h LEU 132 CO -0.03 0.55 -0.15 0.77 0.09 0.00 0.00 178.44 179.67 2qe9 h SER 133 N 0.87 0.00 -0.03 -0.43 4.64 -1.27 -0.20 113.55 117.14 2qe9 h SER 133 Ca 0.23 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 2qe9 h SER 133 Cb -0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2qe9 h SER 133 CO -0.05 0.15 -0.04 0.58 -0.87 0.00 0.00 176.83 176.60 2qe9 h VAL 134 N 0.00 1.40 -0.96 0.95 2.07 -1.42 -2.97 116.25 115.33 2qe9 h VAL 134 Ca -0.00 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.30 2qe9 h VAL 134 Cb 0.27 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 2qe9 h VAL 134 CO 0.02 0.34 0.63 -0.50 0.02 0.00 0.00 177.57 178.08 2qe9 h TRP 135 N -0.42 1.18 -0.30 1.57 6.55 -1.33 -1.06 115.95 122.13 2qe9 h TRP 135 Ca 0.00 0.03 0.06 0.00 0.95 0.00 0.00 58.89 59.93 2qe9 h TRP 135 Cb 0.57 -0.39 -0.06 0.00 -0.86 0.00 0.00 29.16 28.41 2qe9 h TRP 135 CO 0.10 0.68 -0.08 0.00 -1.05 0.00 0.00 178.44 178.10 2qe9 h ALA 136 N 1.44 0.19 -0.23 1.49 0.00 -1.06 0.47 119.26 121.55 2qe9 h ALA 136 Ca 0.38 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.31 2qe9 h ALA 136 Cb -0.00 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2qe9 h ALA 136 CO -0.11 -0.47 -0.29 0.00 0.00 0.00 0.00 179.25 178.37 2qe9 h ARG 137 N -0.01 0.46 0.00 0.00 2.47 -1.25 -0.99 114.38 115.07 2qe9 h ARG 137 Ca 0.15 -0.19 -0.05 0.00 -1.26 0.00 0.00 59.98 58.63 2qe9 h ARG 137 Cb 0.23 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 2qe9 h ARG 137 CO -0.32 0.71 -0.22 0.93 0.56 0.00 0.00 179.97 181.64 2qe9 h GLU 138 N 0.40 0.00 -0.03 0.04 5.08 -0.54 -1.73 114.58 117.80 2qe9 h GLU 138 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2qe9 h GLU 138 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2qe9 h GLU 138 CO 0.06 0.22 0.00 1.28 -1.00 0.00 0.00 179.01 179.57 2qe9 n LEU 139 N -4.14 0.61 -2.95 1.33 4.77 0.09 -4.93 117.00 111.78 2qe9 n LEU 139 Ca -0.02 -0.22 -0.20 0.00 -0.03 0.00 0.00 56.01 55.54 2qe9 n LEU 139 Cb 0.29 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.42 2qe9 n LEU 139 CO 0.36 0.11 0.15 0.29 -1.33 0.00 0.00 177.39 176.97 2qe9 n LYS 140 N -0.47 -5.96 -4.40 3.23 4.01 -0.65 -5.03 118.16 108.88 2qe9 n LYS 140 Ca 0.19 0.73 -0.25 0.00 -0.51 0.00 0.00 58.31 58.46 2qe9 n LYS 140 Cb 0.19 -5.36 -0.12 0.00 -0.51 0.00 0.00 35.03 29.23 2qe9 n LYS 140 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2qe9 s LEU 141 N -6.15 2.44 -0.03 -0.35 1.43 -0.43 -5.02 118.68 110.56 2qe9 s LEU 141 Ca 0.42 -0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 52.37 2qe9 s LEU 141 Cb -0.19 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 2qe9 s LEU 141 CO 0.52 0.08 0.91 -0.44 0.23 0.00 0.00 176.35 177.65 2qe9 s SER 142 N -2.69 7.25 0.89 2.29 0.01 -1.26 -3.47 113.70 116.72 2qe9 s SER 142 Ca 0.19 1.52 -0.12 0.00 1.31 0.00 0.00 55.95 58.85 2qe9 s SER 142 Cb -0.07 -2.53 0.12 0.00 0.21 0.00 0.00 66.02 63.75 2qe9 s SER 142 CO 0.09 -0.25 1.10 -2.16 0.41 0.00 0.00 173.24 172.43 2qe9 s PRO 143 N 1.11 1.33 0.34 12.44 0.04 -1.26 -4.98 135.00 144.01 2qe9 s PRO 143 Ca 0.48 0.61 -0.27 0.00 0.04 0.00 0.00 61.00 61.85 2qe9 s PRO 143 Cb -0.20 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 2qe9 s PRO 143 CO 0.24 -2.14 1.13 0.08 0.04 0.00 0.00 177.00 176.35 2qe9 s VAL 144 N -3.07 3.35 0.36 -0.36 1.01 -1.26 -4.99 120.40 115.44 2qe9 s VAL 144 Ca 0.63 1.24 -0.28 0.00 0.00 0.00 0.00 61.98 63.57 2qe9 s VAL 144 Cb -0.16 -3.74 -0.12 0.00 0.00 0.00 0.00 36.38 32.36 2qe9 s VAL 144 CO 0.56 0.20 1.44 -0.24 0.00 0.00 0.00 175.10 177.06 2qe9 n SER 145 N 0.62 3.49 -0.93 3.32 2.88 -1.26 -4.92 113.62 116.82 2qe9 n SER 145 Ca 0.02 1.21 0.09 0.00 -1.33 0.00 0.00 58.87 58.86 2qe9 n SER 145 Cb 0.46 -1.58 0.18 0.00 -0.75 0.00 0.00 64.21 62.52 2qe9 n SER 145 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qe9 n ALA 146 N 0.58 2.37 -2.01 -1.46 0.00 -1.26 -4.94 120.51 113.79 2qe9 n ALA 146 Ca 0.03 -0.98 -0.42 0.00 0.00 0.00 0.00 53.44 52.08 2qe9 n ALA 146 Cb 0.38 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 2qe9 n ALA 146 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qe9 s SER 147 N -1.25 6.74 -0.14 0.00 0.15 -1.26 -4.92 113.70 113.02 2qe9 s SER 147 Ca 0.31 2.49 -0.25 0.00 0.70 0.00 0.00 55.95 59.20 2qe9 s SER 147 Cb 0.18 -2.60 -0.23 0.00 -1.71 0.00 0.00 66.02 61.67 2qe9 s SER 147 CO 0.25 -0.68 0.63 0.15 1.20 0.00 0.00 173.24 174.79 2qe9 h PHE 148 N 6.13 0.00 -3.79 3.44 3.04 -1.98 -3.45 116.94 120.33 2qe9 h PHE 148 Ca -0.44 0.00 -0.55 0.00 3.98 0.00 0.00 57.97 60.96 2qe9 h PHE 148 Cb 1.21 0.00 0.12 0.00 2.56 0.00 0.00 35.95 39.84 2qe9 h PHE 148 CO 0.64 0.94 0.65 -0.89 -2.02 0.00 0.00 178.31 177.63 2qe9 n ILE 149 N -4.61 2.45 -1.01 1.41 2.08 -1.26 -3.17 119.36 115.25 2qe9 n ILE 149 Ca -0.11 -0.50 -0.00 0.00 0.56 0.00 0.00 62.75 62.69 2qe9 n ILE 149 Cb 0.45 -1.79 -0.00 0.00 -0.75 0.00 0.00 39.64 37.55 2qe9 n ILE 149 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2qe9 n GLY 150 N 0.62 0.47 3.33 7.39 0.00 -1.26 -5.03 105.19 110.71 2qe9 n GLY 150 Ca 0.04 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2qe9 n GLY 150 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qe9 s ARG 151 N -0.63 3.30 -0.16 1.61 3.52 -1.19 -5.09 118.95 120.31 2qe9 s ARG 151 Ca 0.00 -0.73 -0.29 0.00 -0.13 0.00 0.00 55.73 54.57 2qe9 s ARG 151 Cb 0.00 -2.55 -0.01 0.00 -1.56 0.00 0.00 34.95 30.83 2qe9 s ARG 151 CO 0.00 0.19 1.10 0.99 -0.81 0.00 0.00 175.30 176.77 2qe9 s THR 152 N 0.37 4.57 -0.16 4.11 2.01 -1.26 -5.01 115.64 120.27 2qe9 s THR 152 Ca -0.13 1.88 -0.16 0.00 0.31 0.00 0.00 61.69 63.60 2qe9 s THR 152 Cb -0.16 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 2qe9 s THR 152 CO 0.06 -0.10 0.37 -0.76 -0.69 0.00 0.00 174.62 173.50 2qe9 s LEU 153 N 2.82 4.23 -0.23 4.42 1.43 -1.26 -5.06 118.68 125.03 2qe9 s LEU 153 Ca 0.49 0.59 -0.26 0.00 -1.03 0.00 0.00 54.13 53.92 2qe9 s LEU 153 Cb -0.18 -2.50 -0.00 0.00 0.03 0.00 0.00 46.19 43.54 2qe9 s LEU 153 CO 0.13 0.03 0.89 -0.75 0.23 0.00 0.00 176.35 176.88 2qe9 s LYS 154 N 0.72 4.22 0.63 1.70 2.20 -1.26 -5.03 119.74 122.91 2qe9 s LYS 154 Ca 0.20 1.08 -0.18 0.00 -0.36 0.00 0.00 55.97 56.70 2qe9 s LYS 154 Cb -0.14 -3.64 -0.02 0.00 -1.51 0.00 0.00 37.83 32.52 2qe9 s LYS 154 CO 0.07 -0.53 1.25 -2.14 -0.36 0.00 0.00 175.35 173.63 2qe9 s PRO 155 N 2.87 2.73 0.28 4.03 0.02 -1.26 -4.87 135.00 138.80 2qe9 s PRO 155 Ca 0.38 1.94 0.01 0.00 0.02 0.00 0.00 61.00 63.35 2qe9 s PRO 155 Cb -0.15 -1.88 0.60 0.00 0.02 0.00 0.00 34.50 33.09 2qe9 s PRO 155 CO 0.08 -1.43 1.76 0.82 -0.33 0.00 0.00 177.00 177.90 2qe9 h ILE 156 N 0.66 0.70 0.00 2.83 1.08 -2.01 -0.17 117.51 120.60 2qe9 h ILE 156 Ca -0.51 -0.22 -0.02 0.00 -0.39 0.00 0.00 64.86 63.72 2qe9 h ILE 156 Cb 1.32 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.06 2qe9 h ILE 156 CO 0.54 0.12 -0.10 1.12 -0.69 0.00 0.00 178.15 179.13 2qe9 h HIS 157 N 0.64 0.00 0.00 1.37 2.07 -1.97 -2.68 115.15 114.58 2qe9 h HIS 157 Ca 0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.02 2qe9 h HIS 157 Cb 0.75 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.73 2qe9 h HIS 157 CO -0.07 0.10 0.00 0.43 -3.07 0.00 0.00 177.93 175.32 2qe9 n SER 158 N -3.85 0.00 0.00 3.10 7.64 -0.08 -5.24 113.62 115.19 2qe9 n SER 158 Ca -0.02 0.01 0.15 0.00 1.01 0.00 0.00 58.87 60.02 2qe9 n SER 158 Cb 0.20 -0.32 0.89 0.00 -1.01 0.00 0.00 64.21 63.97 2qe9 n SER 158 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81