#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpp s ALA 31 N 0.00 3.32 0.59 3.17 0.00 -1.26 -5.12 121.76 122.47 2qpp s ALA 31 Ca 0.00 -1.65 -0.18 0.00 0.00 0.00 0.00 51.96 50.13 2qpp s ALA 31 Cb 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 2qpp s ALA 31 CO 0.00 0.21 1.14 -0.51 0.00 0.00 0.00 175.76 176.60 2qpp s ASP 32 N -3.75 5.38 0.21 0.00 1.01 -1.26 -4.88 116.67 113.38 2qpp s ASP 32 Ca 0.33 2.17 -0.09 0.00 0.71 0.00 0.00 52.55 55.67 2qpp s ASP 32 Cb -0.06 -2.58 0.16 0.00 1.01 0.00 0.00 42.92 41.45 2qpp s ASP 32 CO 0.22 -1.45 1.84 0.25 0.21 0.00 0.00 175.17 176.23 2qpp h LEU 33 N 0.73 0.95 -1.43 1.23 5.85 -1.90 -0.65 115.31 120.09 2qpp h LEU 33 Ca -0.49 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 2qpp h LEU 33 Cb 1.26 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 2qpp h LEU 33 CO 0.55 0.75 0.26 0.77 -0.34 0.00 0.00 178.44 180.43 2qpp h SER 34 N 1.06 0.57 0.00 1.25 4.64 -1.92 0.18 113.55 119.34 2qpp h SER 34 Ca 0.27 -0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 61.46 2qpp h SER 34 Cb -0.00 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 61.95 2qpp h SER 34 CO -0.05 0.46 -0.40 -0.33 -0.87 0.00 0.00 176.83 175.65 2qpp h GLU 35 N 0.65 0.26 -1.00 4.77 4.39 -1.85 -1.62 114.58 120.19 2qpp h GLU 35 Ca 0.17 -0.29 0.15 0.00 0.34 0.00 0.00 59.36 59.73 2qpp h GLU 35 Cb 0.02 0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 28.66 2qpp h GLU 35 CO -0.03 1.00 0.62 -0.07 -1.16 0.00 0.00 179.01 179.38 2qpp h LEU 36 N -0.36 0.85 -0.07 1.33 3.38 -0.84 0.20 115.31 119.81 2qpp h LEU 36 Ca -0.05 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2qpp h LEU 36 Cb 1.14 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2qpp h LEU 36 CO 0.08 0.39 -0.08 -0.07 0.09 0.00 0.00 178.44 178.85 2qpp h LEU 37 N 0.88 0.19 0.07 1.67 3.38 -0.67 0.12 115.31 120.95 2qpp h LEU 37 Ca 0.53 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2qpp h LEU 37 Cb 0.68 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2qpp h LEU 37 CO -0.31 0.65 -0.14 0.50 0.09 0.00 0.00 178.44 179.24 2qpp h LYS 38 N -0.27 -0.26 -0.50 1.13 3.64 -0.83 -1.84 116.57 117.64 2qpp h LYS 38 Ca 0.01 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 2qpp h LYS 38 Cb 0.61 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 2qpp h LYS 38 CO 0.02 -0.17 -0.10 0.93 -2.27 0.00 0.00 179.45 177.86 2qpp h GLU 39 N -0.27 0.95 0.00 1.90 5.08 -1.06 -3.05 114.58 118.13 2qpp h GLU 39 Ca 0.02 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2qpp h GLU 39 Cb 0.29 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2qpp h GLU 39 CO -0.08 1.02 0.00 0.41 -1.00 0.00 0.00 179.01 179.35 2qpp n GLY 40 N -0.25 -1.14 0.03 -3.84 0.00 0.41 -3.02 105.19 97.37 2qpp n GLY 40 Ca 0.01 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 45.93 2qpp n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qpp n THR 41 N -1.32 1.00 0.14 2.61 -2.24 -0.70 -4.82 114.28 108.94 2qpp n THR 41 Ca 0.11 -1.07 -0.14 0.00 -2.27 0.00 0.00 64.05 60.68 2qpp n THR 41 Cb 0.21 0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 68.79 2qpp n THR 41 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2qpp h LYS 42 N 0.00 -0.67 -0.53 -0.78 1.57 -1.44 0.99 116.57 115.71 2qpp h LYS 42 Ca 0.00 0.05 0.10 0.00 -1.87 0.00 0.00 60.65 58.93 2qpp h LYS 42 Cb 0.67 0.15 -0.11 0.00 0.08 0.00 0.00 32.23 33.03 2qpp h LYS 42 CO 0.00 -0.44 -0.24 0.93 -0.57 0.00 0.00 179.45 179.12 2qpp h GLU 43 N -0.69 -0.11 -0.33 3.15 4.39 -1.88 -1.20 114.58 117.91 2qpp h GLU 43 Ca -0.02 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 2qpp h GLU 43 Cb 0.66 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 2qpp h GLU 43 CO -0.19 -0.08 -0.19 0.00 -1.16 0.00 0.00 179.01 177.40 2qpp h ALA 44 N 1.20 1.05 -0.48 3.43 0.00 -1.86 -2.33 119.26 120.27 2qpp h ALA 44 Ca 0.24 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2qpp h ALA 44 Cb 0.50 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2qpp h ALA 44 CO -0.60 0.57 -0.02 1.25 0.00 0.00 0.00 179.25 180.45 2qpp h HIS 45 N 0.55 0.87 -0.13 0.00 -0.00 0.12 -2.56 115.15 114.00 2qpp h HIS 45 Ca 0.09 -0.13 -0.19 0.00 -0.00 0.00 0.00 60.37 60.14 2qpp h HIS 45 Cb 0.63 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.81 2qpp h HIS 45 CO 0.03 0.81 -0.70 -0.44 -0.00 0.00 0.00 177.93 177.63 2qpp h ASP 46 N 0.75 0.64 0.19 3.26 5.19 -0.97 -2.81 116.42 122.68 2qpp h ASP 46 Ca 0.14 -0.40 -0.07 0.00 -0.62 0.00 0.00 57.03 56.08 2qpp h ASP 46 Cb 0.48 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 2qpp h ASP 46 CO 0.02 1.16 -0.27 0.03 -3.12 0.00 0.00 179.24 177.06 2qpp h ARG 47 N 0.39 0.14 -0.42 3.56 3.08 -1.37 -2.39 114.38 117.37 2qpp h ARG 47 Ca -0.03 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 2qpp h ARG 47 Cb 1.28 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 2qpp h ARG 47 CO 0.13 0.41 -0.19 0.00 -1.07 0.00 0.00 179.97 179.25 2qpp h ALA 48 N 1.60 0.88 -0.08 0.04 0.00 -1.32 -2.68 119.26 117.69 2qpp h ALA 48 Ca 0.02 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 2qpp h ALA 48 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2qpp h ALA 48 CO 0.04 0.63 -0.33 0.93 0.00 0.00 0.00 179.25 180.52 2qpp h GLU 49 N 0.72 0.16 -0.05 0.00 5.08 -1.25 -3.21 114.58 116.03 2qpp h GLU 49 Ca 0.11 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2qpp h GLU 49 Cb 0.70 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2qpp h GLU 49 CO 0.05 0.47 0.00 0.09 -1.00 0.00 0.00 179.01 178.63 2qpp n ASN 50 N -4.11 1.20 -4.77 1.42 4.13 -0.92 -4.45 115.26 107.75 2qpp n ASN 50 Ca -0.01 -1.46 -0.39 0.00 1.68 0.00 0.00 54.58 54.40 2qpp n ASN 50 Cb 0.40 -0.02 -0.02 0.00 -1.54 0.00 0.00 39.78 38.59 2qpp n ASN 50 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2qpp s THR 51 N -1.95 3.16 0.24 3.41 -4.23 -1.09 -4.92 115.64 110.26 2qpp s THR 51 Ca 0.38 1.01 -0.06 0.00 -1.18 0.00 0.00 61.69 61.84 2qpp s THR 51 Cb 0.20 -3.59 0.21 0.00 1.34 0.00 0.00 72.50 70.66 2qpp s THR 51 CO 0.32 0.13 1.85 -0.61 -0.54 0.00 0.00 174.62 175.77 2qpp h GLN 52 N 2.86 0.94 -0.72 3.99 5.75 -1.92 -2.01 115.11 123.99 2qpp h GLN 52 Ca -0.48 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 57.95 2qpp h GLN 52 Cb 1.23 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 29.53 2qpp h GLN 52 CO 0.63 0.62 0.40 0.35 -2.65 0.00 0.00 178.83 178.19 2qpp h PHE 53 N 0.97 0.97 -0.18 3.99 3.57 -1.92 -1.15 116.94 123.18 2qpp h PHE 53 Ca 0.37 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.68 2qpp h PHE 53 Cb 0.15 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.58 2qpp h PHE 53 CO -0.03 0.67 -0.56 0.28 -2.23 0.00 0.00 178.31 176.44 2qpp h VAL 54 N 1.01 1.31 -0.72 1.41 2.07 -1.72 -1.85 116.25 117.76 2qpp h VAL 54 Ca 0.26 -1.79 -0.04 0.00 0.82 0.00 0.00 66.70 65.94 2qpp h VAL 54 Cb 0.01 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2qpp h VAL 54 CO -0.04 0.56 0.29 0.11 0.02 0.00 0.00 177.57 178.51 2qpp h LYS 55 N 0.40 1.08 0.00 1.57 1.57 -1.18 -0.85 116.57 119.15 2qpp h LYS 55 Ca -0.02 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.47 2qpp h LYS 55 Cb 1.18 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 2qpp h LYS 55 CO 0.12 0.89 -0.45 -0.44 -0.57 0.00 0.00 179.45 179.00 2qpp h ASP 56 N 1.03 0.00 0.27 0.86 3.32 -1.23 -2.57 116.42 118.09 2qpp h ASP 56 Ca 0.24 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 2qpp h ASP 56 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2qpp h ASP 56 CO -0.02 0.45 -0.13 0.15 -1.72 0.00 0.00 179.24 177.97 2qpp h PHE 57 N 0.00 -0.34 -0.78 4.55 3.57 -0.92 0.23 116.94 123.26 2qpp h PHE 57 Ca -0.00 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 2qpp h PHE 57 Cb 0.83 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.61 2qpp h PHE 57 CO 0.00 -0.01 0.43 -0.07 -2.23 0.00 0.00 178.31 176.43 2qpp h LEU 58 N -0.96 0.60 0.00 0.59 4.07 -1.22 0.17 115.31 118.56 2qpp h LEU 58 Ca -0.04 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2qpp h LEU 58 Cb 0.48 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.16 2qpp h LEU 58 CO 0.06 0.35 0.00 0.29 -1.08 0.00 0.00 178.44 178.06 2qpp n LYS 59 N -4.78 0.59 -0.68 1.13 5.02 -0.97 -4.89 118.16 113.57 2qpp n LYS 59 Ca 0.12 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2qpp n LYS 59 Cb 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2qpp n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qpp n GLY 60 N 0.74 0.65 2.95 0.72 0.00 0.05 -4.99 105.19 105.31 2qpp n GLY 60 Ca 0.16 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2qpp n GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qpp n ASN 61 N 0.10 6.13 -4.11 1.61 3.02 0.80 -4.80 115.26 118.01 2qpp n ASN 61 Ca 0.00 -3.41 -0.24 0.00 -0.03 0.00 0.00 54.58 50.90 2qpp n ASN 61 Cb 0.00 -1.21 -0.16 0.00 -0.61 0.00 0.00 39.78 37.80 2qpp n ASN 61 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2qpp s ILE 62 N -2.72 1.26 0.08 2.41 1.10 -1.25 -4.56 121.20 117.51 2qpp s ILE 62 Ca 0.32 -0.64 0.02 0.00 -0.51 0.00 0.00 60.65 59.84 2qpp s ILE 62 Cb 0.05 -1.08 -0.04 0.00 0.15 0.00 0.00 42.46 41.54 2qpp s ILE 62 CO 0.09 0.37 0.14 -0.54 -2.11 0.00 0.00 174.94 172.89 2qpp s LYS 63 N -0.01 3.13 0.17 3.50 1.02 -1.26 -4.80 119.74 121.50 2qpp s LYS 63 Ca -0.02 -0.59 -0.27 0.00 0.02 0.00 0.00 55.97 55.11 2qpp s LYS 63 Cb -0.10 -2.86 0.01 0.00 -0.52 0.00 0.00 37.83 34.36 2qpp s LYS 63 CO 0.01 0.58 1.55 -0.22 -0.92 0.00 0.00 175.35 176.35 2qpp h LYS 64 N 3.11 -0.07 0.00 1.68 3.64 -1.97 0.45 116.57 123.41 2qpp h LYS 64 Ca -0.46 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 2qpp h LYS 64 Cb 1.17 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2qpp h LYS 64 CO 0.70 -0.04 -0.10 0.93 -2.27 0.00 0.00 179.45 178.67 2qpp h GLU 65 N -0.07 0.00 0.11 1.90 4.39 -1.99 -1.14 114.58 117.78 2qpp h GLU 65 Ca 0.20 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.62 2qpp h GLU 65 Cb 0.49 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2qpp h GLU 65 CO -0.89 0.10 -1.27 1.25 -1.16 0.00 0.00 179.01 177.04 2qpp h LEU 66 N 0.00 0.36 -1.24 1.33 5.85 -1.36 -3.02 115.31 117.24 2qpp h LEU 66 Ca -0.00 -0.41 -0.06 0.00 0.84 0.00 0.00 57.88 58.25 2qpp h LEU 66 Cb 0.31 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2qpp h LEU 66 CO 0.01 1.32 -0.15 0.15 -0.34 0.00 0.00 178.44 179.44 2qpp h PHE 67 N 0.06 0.36 -0.42 1.25 3.57 -0.43 -2.57 116.94 118.77 2qpp h PHE 67 Ca -0.14 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.19 2qpp h PHE 67 Cb 1.96 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.58 2qpp h PHE 67 CO 0.06 0.48 -0.21 0.87 -2.23 0.00 0.00 178.31 177.28 2qpp h LYS 68 N 0.32 0.83 -0.49 1.11 1.57 -1.25 -0.83 116.57 117.82 2qpp h LYS 68 Ca 0.06 -0.33 -0.12 0.00 -1.87 0.00 0.00 60.65 58.39 2qpp h LYS 68 Cb 0.46 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2qpp h LYS 68 CO 0.03 0.96 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.63 2qpp h LEU 69 N 0.72 0.98 -0.34 2.94 3.38 -1.39 -1.74 115.31 119.86 2qpp h LEU 69 Ca 0.10 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 2qpp h LEU 69 Cb 0.73 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2qpp h LEU 69 CO 0.06 1.13 0.02 0.00 0.09 0.00 0.00 178.44 179.74 2qpp h ALA 70 N 0.94 0.46 -0.92 1.53 0.00 -1.32 -0.24 119.26 119.71 2qpp h ALA 70 Ca 0.12 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2qpp h ALA 70 Cb 0.74 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 2qpp h ALA 70 CO 0.06 0.19 0.61 1.15 0.00 0.00 0.00 179.25 181.26 2qpp h THR 71 N 0.40 1.23 -0.63 0.00 2.02 -1.13 -0.16 112.91 114.65 2qpp h THR 71 Ca 0.10 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 2qpp h THR 71 Cb 0.41 -0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 2qpp h THR 71 CO 0.01 0.23 0.35 0.74 0.37 0.00 0.00 175.52 177.22 2qpp h THR 72 N 1.24 1.20 -0.70 3.16 2.02 -1.13 -0.59 112.91 118.11 2qpp h THR 72 Ca 0.34 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 67.03 2qpp h THR 72 Cb -0.14 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.61 2qpp h THR 72 CO -0.08 0.22 0.46 0.00 0.37 0.00 0.00 175.52 176.49 2qpp h ALA 73 N 1.17 0.89 -0.50 6.16 0.00 -0.27 -2.73 119.26 123.98 2qpp h ALA 73 Ca 0.22 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2qpp h ALA 73 Cb 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2qpp h ALA 73 CO -0.04 0.29 0.19 -0.07 0.00 0.00 0.00 179.25 179.63 2qpp h LEU 74 N 0.93 0.70 -0.11 0.00 3.38 -0.65 -2.36 115.31 117.20 2qpp h LEU 74 Ca 0.26 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2qpp h LEU 74 Cb -0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2qpp h LEU 74 CO -0.06 0.69 -0.07 0.22 0.09 0.00 0.00 178.44 179.32 2qpp h TYR 75 N 0.67 -0.16 -0.19 1.13 3.20 -0.82 0.14 116.97 120.95 2qpp h TYR 75 Ca 0.17 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.89 2qpp h TYR 75 Cb 0.22 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 2qpp h TYR 75 CO 0.01 -0.11 -0.53 0.74 -1.64 0.00 0.00 178.16 176.63 2qpp h PHE 76 N -0.06 0.67 0.38 -3.82 0.04 -1.54 -0.85 116.94 111.76 2qpp h PHE 76 Ca 0.07 -0.23 -0.01 0.00 2.80 0.00 0.00 57.97 60.60 2qpp h PHE 76 Cb 0.16 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 2qpp h PHE 76 CO -0.19 0.95 -0.27 1.15 -0.60 0.00 0.00 178.31 179.35 2qpp h THR 77 N 0.42 0.43 0.00 -1.55 2.02 -1.16 -2.85 112.91 110.22 2qpp h THR 77 Ca 0.01 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.07 2qpp h THR 77 Cb 1.06 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2qpp h THR 77 CO 0.10 0.00 -0.58 1.88 0.37 0.00 0.00 175.52 177.29 2qpp h TYR 78 N -0.64 0.00 -0.31 3.16 -1.99 -0.95 -2.19 116.97 114.05 2qpp h TYR 78 Ca -0.03 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 2qpp h TYR 78 Cb 0.55 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 2qpp h TYR 78 CO -0.12 0.58 0.17 1.03 -0.00 0.00 0.00 178.16 179.82 2qpp h SER 79 N 0.00 0.38 -0.20 3.88 0.87 -1.14 -0.13 113.55 117.21 2qpp h SER 79 Ca -0.01 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 2qpp h SER 79 Cb 1.10 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 2qpp h SER 79 CO 0.08 0.35 0.01 0.00 -0.53 0.00 0.00 176.83 176.73 2qpp h ALA 80 N 1.05 0.27 -0.50 6.23 0.00 -1.42 -1.30 119.26 123.59 2qpp h ALA 80 Ca 0.11 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2qpp h ALA 80 Cb 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2qpp h ALA 80 CO -0.02 -0.02 0.32 1.25 0.00 0.00 0.00 179.25 180.78 2qpp h LEU 81 N 0.12 0.54 -0.77 0.00 5.85 -1.26 -0.66 115.31 119.13 2qpp h LEU 81 Ca 0.06 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 2qpp h LEU 81 Cb 0.38 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2qpp h LEU 81 CO 0.01 0.39 -0.42 -0.33 -0.34 0.00 0.00 178.44 177.75 2qpp h GLU 82 N 0.65 0.00 -0.41 1.25 5.08 -1.01 -1.29 114.58 118.85 2qpp h GLU 82 Ca 0.19 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 2qpp h GLU 82 Cb -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2qpp h GLU 82 CO -0.06 0.42 -0.20 1.49 -1.00 0.00 0.00 179.01 179.66 2qpp h GLU 83 N 0.00 0.85 -0.06 2.33 4.81 -0.65 -2.24 114.58 119.62 2qpp h GLU 83 Ca -0.00 -0.37 -0.15 0.00 -0.13 0.00 0.00 59.36 58.70 2qpp h GLU 83 Cb 1.00 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2qpp h GLU 83 CO 0.05 1.01 -0.64 0.93 -0.73 0.00 0.00 179.01 179.63 2qpp h GLU 84 N 0.67 0.23 -0.25 1.92 4.39 -0.89 -1.90 114.58 118.74 2qpp h GLU 84 Ca 0.09 -0.17 -0.16 0.00 0.34 0.00 0.00 59.36 59.46 2qpp h GLU 84 Cb 0.76 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 2qpp h GLU 84 CO 0.06 0.79 -0.49 0.52 -1.16 0.00 0.00 179.01 178.73 2qpp h MET 85 N 0.16 0.68 -0.87 2.33 2.86 -1.28 -2.39 114.93 116.42 2qpp h MET 85 Ca -0.01 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.23 2qpp h MET 85 Cb 1.17 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.82 2qpp h MET 85 CO 0.10 1.02 0.54 1.49 1.06 0.00 0.00 176.91 181.12 2qpp h GLU 86 N 0.54 1.18 -0.96 1.72 4.57 -1.29 -0.95 114.58 119.38 2qpp h GLU 86 Ca 0.03 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2qpp h GLU 86 Cb 1.05 -0.25 -0.05 0.00 -0.16 0.00 0.00 28.75 29.34 2qpp h GLU 86 CO 0.10 0.81 0.61 -0.09 -1.18 0.00 0.00 179.01 179.26 2qpp h ARG 87 N 1.20 1.29 -0.45 1.92 2.43 -1.13 -3.05 114.38 116.59 2qpp h ARG 87 Ca 0.32 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.31 2qpp h ARG 87 Cb -0.08 -0.28 -0.05 0.00 -0.42 0.00 0.00 29.97 29.15 2qpp h ARG 87 CO -0.06 0.88 0.06 0.09 -1.51 0.00 0.00 179.97 179.43 2qpp n ASN 88 N -4.37 4.28 0.29 -3.80 3.02 -0.92 -4.61 115.26 109.15 2qpp n ASN 88 Ca 0.11 -3.15 0.15 0.00 -0.03 0.00 0.00 54.58 51.66 2qpp n ASN 88 Cb 0.04 -0.63 0.90 0.00 -0.61 0.00 0.00 39.78 39.48 2qpp n ASN 88 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2qpp h LYS 89 N 2.29 0.00 -0.18 3.52 2.10 -1.07 -1.84 116.57 121.40 2qpp h LYS 89 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 2qpp h LYS 89 Cb 1.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.12 2qpp h LYS 89 CO 0.42 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.62 2qpp n ASP 90 N -3.87 2.57 -4.70 7.07 8.00 -1.26 -4.16 116.55 120.19 2qpp n ASP 90 Ca -0.03 -1.75 -0.42 0.00 0.71 0.00 0.00 54.79 53.30 2qpp n ASP 90 Cb 0.09 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 2qpp n ASP 90 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2qpp s HIS 91 N -1.12 3.42 0.65 1.24 2.46 -0.69 -4.84 115.29 116.41 2qpp s HIS 91 Ca 0.22 1.39 0.41 0.00 0.47 0.00 0.00 55.06 57.54 2qpp s HIS 91 Cb 0.13 -3.34 2.28 0.00 -0.13 0.00 0.00 32.58 31.53 2qpp s HIS 91 CO 0.19 -0.93 2.34 -1.00 -2.47 0.00 0.00 174.74 172.88 2qpp h PRO 92 N 7.01 0.00 -0.01 2.88 0.13 -1.93 0.83 132.00 140.92 2qpp h PRO 92 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2qpp h PRO 92 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2qpp h PRO 92 CO 0.82 0.00 -0.16 0.00 -0.23 0.00 0.00 178.00 178.43 2qpp n ALA 93 N -2.14 2.89 0.00 -0.56 0.00 -1.26 -4.42 120.51 115.02 2qpp n ALA 93 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2qpp n ALA 93 Cb 0.08 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2qpp n ALA 93 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qpp n PHE 94 N -0.50 0.00 -0.31 0.00 7.35 0.13 -4.74 117.46 119.40 2qpp n PHE 94 Ca 0.15 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.93 2qpp n PHE 94 Cb 0.33 0.00 0.19 0.00 0.35 0.00 0.00 39.48 40.35 2qpp n PHE 94 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qpp n ALA 95 N -0.92 0.32 0.45 3.13 0.00 0.27 -0.31 120.51 123.45 2qpp n ALA 95 Ca 0.00 0.94 0.05 0.00 0.00 0.00 0.00 53.44 54.43 2qpp n ALA 95 Cb 0.14 -0.62 0.26 0.00 0.00 0.00 0.00 19.45 19.22 2qpp n ALA 95 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2qpp n PRO 96 N -5.33 0.08 -0.13 0.00 -0.02 -1.26 -2.34 135.00 126.00 2qpp n PRO 96 Ca 0.17 0.25 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 2qpp n PRO 96 Cb 0.55 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.66 2qpp n PRO 96 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2qpp n LEU 97 N -1.39 2.73 -4.58 2.45 4.77 0.57 -4.91 117.00 116.63 2qpp n LEU 97 Ca 0.04 -1.57 -0.43 0.00 -0.03 0.00 0.00 56.01 54.02 2qpp n LEU 97 Cb 0.11 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 2qpp n LEU 97 CO 0.09 0.62 1.01 -0.47 -1.33 0.00 0.00 177.39 177.31 2qpp s TYR 98 N -1.07 2.74 -0.50 -1.77 6.14 -0.99 -4.94 117.35 116.96 2qpp s TYR 98 Ca 0.23 0.51 0.07 0.00 0.64 0.00 0.00 57.07 58.53 2qpp s TYR 98 Cb 0.14 -4.41 0.24 0.00 0.42 0.00 0.00 41.96 38.35 2qpp s TYR 98 CO 0.19 -1.39 0.60 1.19 0.64 0.00 0.00 175.55 176.78 2qpp n PHE 99 N 8.01 1.33 -0.05 4.97 3.72 -1.26 -4.99 117.46 129.20 2qpp n PHE 99 Ca 0.09 -3.81 -0.10 0.00 -0.05 0.00 0.00 57.45 53.58 2qpp n PHE 99 Cb 0.49 -0.42 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 2qpp n PHE 99 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2qpp h PRO 100 N 4.17 0.28 0.00 -1.08 0.13 -1.98 -1.41 132.00 132.11 2qpp h PRO 100 Ca 0.13 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.16 2qpp h PRO 100 Cb 0.79 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 2qpp h PRO 100 CO 0.62 0.19 -0.39 0.52 -0.23 0.00 0.00 178.00 178.70 2qpp h MET 101 N 0.28 0.00 0.08 0.86 2.86 -1.95 -2.86 114.93 114.20 2qpp h MET 101 Ca 0.08 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.36 2qpp h MET 101 Cb -0.03 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 2qpp h MET 101 CO -0.02 0.39 -2.03 0.39 1.06 0.00 0.00 176.91 176.71 2qpp n GLU 102 N -3.65 0.72 -0.03 1.72 4.71 -1.13 -4.74 120.64 118.24 2qpp n GLU 102 Ca -0.01 0.24 -0.02 0.00 -0.01 0.00 0.00 57.16 57.37 2qpp n GLU 102 Cb 0.49 -1.69 -0.06 0.00 -1.01 0.00 0.00 31.44 29.17 2qpp n GLU 102 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2qpp n LEU 103 N -3.35 0.00 -4.75 -4.62 4.77 -0.55 -4.54 117.00 103.96 2qpp n LEU 103 Ca -0.31 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.25 2qpp n LEU 103 Cb 1.05 0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 42.26 2qpp n LEU 103 CO 0.41 0.14 1.23 -1.00 -1.33 0.00 0.00 177.39 176.84 2qpp s HIS 104 N -2.25 2.73 -0.49 -1.77 3.76 -1.08 -4.93 115.29 111.25 2qpp s HIS 104 Ca -0.03 0.84 0.13 0.00 -0.15 0.00 0.00 55.06 55.84 2qpp s HIS 104 Cb 0.03 -4.06 -0.16 0.00 1.11 0.00 0.00 32.58 29.50 2qpp s HIS 104 CO 0.30 -3.51 0.50 0.54 -0.85 0.00 0.00 174.74 171.72 2qpp n ARG 105 N 1.94 2.21 -0.05 1.40 5.12 -1.26 -4.71 116.66 121.31 2qpp n ARG 105 Ca 0.07 -0.03 -0.08 0.00 -1.93 0.00 0.00 57.85 55.89 2qpp n ARG 105 Cb 0.38 -1.16 -0.01 0.00 -1.16 0.00 0.00 32.46 30.51 2qpp n ARG 105 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2qpp h LYS 106 N 0.00 -0.15 -0.40 5.56 3.64 -1.92 0.69 116.57 124.00 2qpp h LYS 106 Ca 0.00 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 2qpp h LYS 106 Cb 0.37 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 2qpp h LYS 106 CO 0.00 -0.10 0.05 1.49 -2.27 0.00 0.00 179.45 178.62 2qpp h GLU 107 N -0.15 0.16 -0.46 1.90 4.81 -2.00 0.91 114.58 119.74 2qpp h GLU 107 Ca 0.14 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2qpp h GLU 107 Cb 0.36 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2qpp h GLU 107 CO -0.34 0.10 0.22 0.00 -0.73 0.00 0.00 179.01 178.26 2qpp h ALA 108 N 1.32 0.60 -0.31 2.92 0.00 -1.67 -2.38 119.26 119.74 2qpp h ALA 108 Ca 0.19 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2qpp h ALA 108 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2qpp h ALA 108 CO -0.28 0.16 -0.24 -0.07 0.00 0.00 0.00 179.25 178.82 2qpp h LEU 109 N 0.61 0.61 -0.78 0.00 3.38 -0.37 -1.38 115.31 117.37 2qpp h LEU 109 Ca 0.16 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.96 2qpp h LEU 109 Cb 0.13 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 2qpp h LEU 109 CO -0.02 0.84 0.49 0.74 0.09 0.00 0.00 178.44 180.58 2qpp h THR 110 N 0.53 1.08 -0.60 0.22 2.02 -0.70 0.49 112.91 115.95 2qpp h THR 110 Ca 0.08 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 2qpp h THR 110 Cb 0.70 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2qpp h THR 110 CO 0.05 0.17 0.16 0.11 0.37 0.00 0.00 175.52 176.38 2qpp h LYS 111 N 0.93 0.92 -0.12 6.66 1.57 -0.89 -1.86 116.57 123.79 2qpp h LYS 111 Ca 0.32 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 2qpp h LYS 111 Cb 0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2qpp h LYS 111 CO -0.13 0.81 -0.47 -0.44 -0.57 0.00 0.00 179.45 178.65 2qpp h ASP 112 N 0.89 0.31 0.57 0.86 3.32 -0.66 -2.85 116.42 118.85 2qpp h ASP 112 Ca 0.19 -0.15 -0.16 0.00 0.02 0.00 0.00 57.03 56.94 2qpp h ASP 112 Cb 0.30 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2qpp h ASP 112 CO -0.00 0.74 -0.70 0.24 -1.72 0.00 0.00 179.24 177.79 2qpp h MET 113 N 0.24 0.11 -0.59 3.56 2.86 -0.63 -2.71 114.93 117.77 2qpp h MET 113 Ca 0.01 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 2qpp h MET 113 Cb 0.92 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 2qpp h MET 113 CO 0.08 0.76 0.19 0.93 1.06 0.00 0.00 176.91 179.93 2qpp h GLU 114 N 0.07 0.91 -0.39 1.72 5.08 -1.26 -1.98 114.58 118.73 2qpp h GLU 114 Ca -0.01 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.03 2qpp h GLU 114 Cb 1.24 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2qpp h GLU 114 CO 0.10 0.81 -0.27 -0.92 -1.00 0.00 0.00 179.01 177.73 2qpp h TYR 115 N 0.83 0.94 0.11 4.33 5.03 -1.39 -2.58 116.97 124.23 2qpp h TYR 115 Ca 0.19 -0.23 -0.37 0.00 2.58 0.00 0.00 58.73 60.90 2qpp h TYR 115 Cb 0.27 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.31 2qpp h TYR 115 CO 0.02 0.99 -2.07 1.19 -1.32 0.00 0.00 178.16 176.97 2qpp n PHE 116 N -4.09 1.07 -0.00 -3.82 3.72 -1.03 -4.65 117.46 108.65 2qpp n PHE 116 Ca -0.00 0.23 0.08 0.00 -0.05 0.00 0.00 57.45 57.71 2qpp n PHE 116 Cb 0.46 -1.14 -0.13 0.00 -0.94 0.00 0.00 39.48 37.74 2qpp n PHE 116 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2qpp n PHE 117 N -3.44 0.00 0.00 1.38 3.72 -0.75 -5.11 117.46 113.26 2qpp n PHE 117 Ca -0.34 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.06 2qpp n PHE 117 Cb 1.04 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 2qpp n PHE 117 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qpp n GLY 118 N 1.57 0.06 0.11 1.37 0.00 -0.97 -4.71 105.19 102.62 2qpp n GLY 118 Ca -0.03 -2.13 -0.20 0.00 0.00 0.00 0.00 46.02 43.66 2qpp n GLY 118 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qpp h GLU 119 N 0.00 0.12 -1.16 1.61 5.08 -1.91 -3.38 114.58 114.94 2qpp h GLU 119 Ca 0.00 -0.21 -0.68 0.00 -1.00 0.00 0.00 59.36 57.47 2qpp h GLU 119 Cb 0.00 0.08 -0.28 0.00 0.50 0.00 0.00 28.75 29.05 2qpp h GLU 119 CO 0.00 1.10 0.89 0.09 -1.00 0.00 0.00 179.01 180.09 2qpp n ASN 120 N -4.19 7.64 -0.04 1.42 3.02 -1.26 -4.72 115.26 117.14 2qpp n ASN 120 Ca -0.25 -3.77 -0.03 0.00 -0.03 0.00 0.00 54.58 50.50 2qpp n ASN 120 Cb 0.76 -1.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.14 2qpp n ASN 120 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 2qpp h TRP 121 N 2.13 0.66 -0.06 3.10 5.08 -1.84 -3.01 115.95 122.01 2qpp h TRP 121 Ca 0.59 -0.11 -0.04 0.00 1.08 0.00 0.00 58.89 60.41 2qpp h TRP 121 Cb 0.70 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 26.68 2qpp h TRP 121 CO 1.38 0.71 -0.14 1.49 -1.28 0.00 0.00 178.44 180.60 2qpp h GLU 122 N 0.56 0.10 0.00 0.12 4.81 -1.91 0.37 114.58 118.63 2qpp h GLU 122 Ca 0.10 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2qpp h GLU 122 Cb 0.53 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2qpp h GLU 122 CO 0.03 0.24 -0.31 1.49 -0.73 0.00 0.00 179.01 179.73 2qpp h GLU 123 N 0.09 0.00 0.00 1.92 4.81 -1.92 -3.38 114.58 116.10 2qpp h GLU 123 Ca 0.02 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 2qpp h GLU 123 Cb 0.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2qpp h GLU 123 CO 0.02 0.31 -1.32 0.00 -0.73 0.00 0.00 179.01 177.29 2qpp n GLN 124 N -3.53 2.87 -2.93 1.92 10.64 -0.62 -5.03 117.38 120.70 2qpp n GLN 124 Ca -0.00 -0.01 -0.40 0.00 -1.83 0.00 0.00 57.00 54.76 2qpp n GLN 124 Cb 0.46 -1.12 -0.06 0.00 -0.86 0.00 0.00 30.24 28.66 2qpp n GLN 124 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 2qpp s VAL 125 N -2.14 4.43 0.18 -0.39 -7.23 0.02 -5.07 120.40 110.19 2qpp s VAL 125 Ca -0.02 1.77 0.06 0.00 -1.81 0.00 0.00 61.98 61.97 2qpp s VAL 125 Cb 0.02 -4.18 -0.04 0.00 0.56 0.00 0.00 36.38 32.74 2qpp s VAL 125 CO 0.20 0.46 0.13 -1.10 -0.31 0.00 0.00 175.10 174.48 2qpp s GLN 126 N -0.78 2.84 0.02 4.82 -0.21 -1.26 -4.92 119.66 120.17 2qpp s GLN 126 Ca 0.38 -0.93 -0.30 0.00 0.02 0.00 0.00 55.36 54.53 2qpp s GLN 126 Cb -0.23 -2.60 -0.05 0.00 1.00 0.00 0.00 33.01 31.13 2qpp s GLN 126 CO 0.27 0.47 1.32 0.00 -2.12 0.00 0.00 175.29 175.22 2qpp s ALA 127 N -1.81 3.53 0.68 6.09 0.00 -1.26 -4.99 121.76 123.99 2qpp s ALA 127 Ca 0.31 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 2qpp s ALA 127 Cb -0.10 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2qpp s ALA 127 CO 0.23 -0.75 1.26 -0.35 0.00 0.00 0.00 175.76 176.15 2qpp n PRO 128 N 4.86 0.94 -0.19 0.00 -0.04 -1.26 -4.70 135.00 134.61 2qpp n PRO 128 Ca 0.12 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 2qpp n PRO 128 Cb 0.44 -2.50 0.10 0.00 -0.04 0.00 0.00 33.50 31.51 2qpp n PRO 128 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2qpp h LYS 129 N 0.27 0.29 -0.37 0.54 1.79 -1.99 -0.19 116.57 116.91 2qpp h LYS 129 Ca -0.50 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 57.84 2qpp h LYS 129 Cb 1.33 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 2qpp h LYS 129 CO 0.52 0.19 -0.24 0.00 -1.08 0.00 0.00 179.45 178.84 2qpp h ALA 130 N 1.45 0.88 -0.41 3.86 0.00 -1.91 -2.11 119.26 121.03 2qpp h ALA 130 Ca 0.30 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2qpp h ALA 130 Cb 0.42 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2qpp h ALA 130 CO -0.36 0.63 -0.11 0.00 0.00 0.00 0.00 179.25 179.41 2qpp h ALA 131 N 1.08 1.05 -0.58 0.00 0.00 -1.64 -2.59 119.26 116.58 2qpp h ALA 131 Ca 0.09 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2qpp h ALA 131 Cb 0.75 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2qpp h ALA 131 CO 0.06 0.58 0.11 0.37 0.00 0.00 0.00 179.25 180.36 2qpp h GLN 132 N 0.65 0.93 0.01 0.00 5.75 -0.61 0.82 115.11 122.67 2qpp h GLN 132 Ca 0.11 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 2qpp h GLN 132 Cb 0.56 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.99 2qpp h GLN 132 CO 0.03 0.85 -0.01 0.87 -2.65 0.00 0.00 178.83 177.93 2qpp h LYS 133 N 0.88 -0.02 -0.43 1.69 1.57 -1.26 -0.45 116.57 118.55 2qpp h LYS 133 Ca 0.18 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 2qpp h LYS 133 Cb 0.37 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 2qpp h LYS 133 CO 0.01 0.07 0.22 -0.92 -0.57 0.00 0.00 179.45 178.26 2qpp h TYR 134 N -0.10 0.40 -0.49 -1.35 3.20 -1.08 -1.83 116.97 115.73 2qpp h TYR 134 Ca -0.00 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.96 2qpp h TYR 134 Cb 0.09 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.19 2qpp h TYR 134 CO -0.05 0.21 0.15 0.28 -1.64 0.00 0.00 178.16 177.11 2qpp h VAL 135 N 0.44 0.80 -0.63 1.81 2.07 -0.74 -1.35 116.25 118.65 2qpp h VAL 135 Ca 0.18 -0.10 0.10 0.00 0.82 0.00 0.00 66.70 67.70 2qpp h VAL 135 Cb 0.09 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 2qpp h VAL 135 CO -0.13 0.06 0.25 -0.33 0.02 0.00 0.00 177.57 177.44 2qpp h GLU 136 N 0.30 0.42 -0.61 1.57 5.08 -0.36 -1.79 114.58 119.20 2qpp h GLU 136 Ca 0.24 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 2qpp h GLU 136 Cb 0.28 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2qpp h GLU 136 CO -0.27 0.28 0.07 -0.09 -1.00 0.00 0.00 179.01 178.01 2qpp h ARG 137 N 0.43 1.02 -0.26 2.33 9.65 -0.69 -2.33 114.38 124.53 2qpp h ARG 137 Ca 0.32 -0.29 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2qpp h ARG 137 Cb 0.40 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 2qpp h ARG 137 CO -0.31 0.97 0.16 0.82 2.80 0.00 0.00 179.97 184.41 2qpp h ILE 138 N 0.93 1.10 -0.84 1.20 2.04 -0.69 -1.56 117.51 119.67 2qpp h ILE 138 Ca 0.18 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2qpp h ILE 138 Cb 0.46 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 2qpp h ILE 138 CO 0.02 0.10 0.54 0.45 0.00 0.00 0.00 178.15 179.26 2qpp h HIS 139 N 0.33 1.08 0.25 1.37 3.86 -1.26 -1.31 115.15 119.46 2qpp h HIS 139 Ca 0.09 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2qpp h HIS 139 Cb 0.02 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.11 2qpp h HIS 139 CO -0.04 0.69 -0.21 -0.92 0.86 0.00 0.00 177.93 178.31 2qpp h TYR 140 N 1.15 -0.55 -0.07 2.45 3.20 -1.10 -2.24 116.97 119.80 2qpp h TYR 140 Ca 0.31 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.20 2qpp h TYR 140 Cb -0.11 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2qpp h TYR 140 CO -0.01 -0.32 -0.06 0.82 -1.64 0.00 0.00 178.16 176.95 2qpp h ILE 141 N -0.48 0.82 -0.08 1.81 1.08 -1.04 -0.25 117.51 119.38 2qpp h ILE 141 Ca -0.01 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.43 2qpp h ILE 141 Cb 0.43 0.82 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 2qpp h ILE 141 CO -0.02 0.00 -0.07 1.23 -0.69 0.00 0.00 178.15 178.60 2qpp h GLY 142 N -0.08 0.12 0.99 5.37 0.00 -1.25 -0.14 103.07 108.07 2qpp h GLY 142 Ca 0.05 -0.06 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 2qpp h GLY 142 CO -0.11 0.06 -1.42 -1.06 0.00 0.00 0.00 176.54 174.00 2qpp n GLN 143 N -4.39 0.62 0.00 4.80 6.02 -0.85 -4.51 117.38 119.07 2qpp n GLN 143 Ca -0.02 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2qpp n GLN 143 Cb 0.19 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.64 2qpp n GLN 143 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2qpp n ASN 144 N -2.89 3.28 -3.20 1.08 3.02 -0.14 -4.90 115.26 111.51 2qpp n ASN 144 Ca -0.10 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.22 2qpp n ASN 144 Cb 0.85 0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 40.21 2qpp n ASN 144 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qpp n GLU 145 N -1.72 1.34 0.21 3.52 1.02 -0.13 -4.97 120.64 119.91 2qpp n GLU 145 Ca 0.00 -3.67 0.15 0.00 -0.02 0.00 0.00 57.16 53.62 2qpp n GLU 145 Cb 0.35 -1.63 0.65 0.00 -0.02 0.00 0.00 31.44 30.79 2qpp n GLU 145 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2qpp h PRO 146 N 3.63 0.00 0.00 3.49 0.13 -1.63 -1.59 132.00 136.03 2qpp h PRO 146 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2qpp h PRO 146 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2qpp h PRO 146 CO 0.57 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.49 2qpp n GLU 147 N -2.62 0.15 0.00 0.86 0.00 -1.26 -2.17 120.64 115.60 2qpp n GLU 147 Ca 0.01 0.44 0.12 0.00 0.00 0.00 0.00 57.16 57.72 2qpp n GLU 147 Cb 0.21 -1.82 0.09 0.00 0.00 0.00 0.00 31.44 29.92 2qpp n GLU 147 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2qpp n LEU 148 N -2.11 2.66 0.17 -1.84 4.77 -0.60 -4.42 117.00 115.63 2qpp n LEU 148 Ca 0.02 -0.91 0.02 0.00 -0.03 0.00 0.00 56.01 55.11 2qpp n LEU 148 Cb 0.18 -0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.63 2qpp n LEU 148 CO 0.16 0.45 0.76 0.25 -1.33 0.00 0.00 177.39 177.69 2qpp h LEU 149 N 3.97 0.07 -0.97 2.23 5.85 -1.56 -2.43 115.31 122.46 2qpp h LEU 149 Ca 0.00 -0.02 0.22 0.00 0.84 0.00 0.00 57.88 58.92 2qpp h LEU 149 Cb 0.91 -0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.81 2qpp h LEU 149 CO 0.00 0.39 0.55 1.62 -0.34 0.00 0.00 178.44 180.65 2qpp h VAL 150 N 0.06 0.59 -0.93 1.05 3.04 -1.77 -1.20 116.25 117.09 2qpp h VAL 150 Ca 0.01 -0.21 0.08 0.00 -1.01 0.00 0.00 66.70 65.57 2qpp h VAL 150 Cb 0.60 -0.06 -0.07 0.00 -2.01 0.00 0.00 31.29 29.75 2qpp h VAL 150 CO 0.04 0.11 0.58 0.00 -1.01 0.00 0.00 177.57 177.30 2qpp h ALA 151 N 1.69 1.31 0.08 3.17 0.00 -1.72 0.22 119.26 124.01 2qpp h ALA 151 Ca 0.59 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 55.24 2qpp h ALA 151 Cb 1.05 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.61 2qpp h ALA 151 CO -0.45 0.30 -1.13 0.45 0.00 0.00 0.00 179.25 178.43 2qpp h HIS 152 N 1.02 0.68 -0.13 0.00 -0.00 -1.38 -2.40 115.15 112.93 2qpp h HIS 152 Ca 0.42 -0.42 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 2qpp h HIS 152 Cb 0.25 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 2qpp h HIS 152 CO -0.02 1.28 0.02 0.00 -0.00 0.00 0.00 177.93 179.21 2qpp h ALA 153 N 0.57 0.18 0.23 2.45 0.00 -1.06 -2.29 119.26 119.34 2qpp h ALA 153 Ca -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qpp h ALA 153 Cb 1.80 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2qpp h ALA 153 CO 0.20 -0.16 -0.20 -0.92 0.00 0.00 0.00 179.25 178.17 2qpp h TYR 154 N -0.01 -0.52 -0.76 0.00 3.20 -0.64 0.57 116.97 118.81 2qpp h TYR 154 Ca 0.04 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.01 2qpp h TYR 154 Cb 0.31 0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.70 2qpp h TYR 154 CO 0.02 -0.30 0.40 1.15 -1.64 0.00 0.00 178.16 177.79 2qpp h THR 155 N -0.45 0.86 0.00 1.81 2.02 -1.46 -2.40 112.91 113.29 2qpp h THR 155 Ca -0.01 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2qpp h THR 155 Cb 0.41 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2qpp h THR 155 CO -0.03 0.12 -0.13 0.03 0.37 0.00 0.00 175.52 175.88 2qpp h ARG 156 N 0.67 0.00 -0.10 6.66 2.47 -1.25 -3.35 114.38 119.48 2qpp h ARG 156 Ca 0.38 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.89 2qpp h ARG 156 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2qpp h ARG 156 CO -0.27 0.31 -0.76 1.88 0.56 0.00 0.00 179.97 181.68 2qpp h TYR 157 N -1.00 0.77 -0.52 3.04 0.05 -0.95 -2.43 116.97 115.93 2qpp h TYR 157 Ca -0.02 -0.34 -0.02 0.00 0.05 0.00 0.00 58.73 58.40 2qpp h TYR 157 Cb 0.39 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 2qpp h TYR 157 CO 0.05 1.13 0.24 0.52 -1.05 0.00 0.00 178.16 179.06 2qpp h MET 158 N 0.38 0.72 -0.28 4.88 2.86 -1.56 -1.99 114.93 119.95 2qpp h MET 158 Ca -0.04 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.42 2qpp h MET 158 Cb 1.37 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 2qpp h MET 158 CO 0.14 0.57 -0.16 0.78 1.06 0.00 0.00 176.91 179.30 2qpp h GLY 159 N 0.83 0.66 0.64 8.32 0.00 -1.66 -3.03 103.07 108.83 2qpp h GLY 159 Ca 0.18 -0.61 0.05 0.00 0.00 0.00 0.00 47.33 46.95 2qpp h GLY 159 CO -0.02 0.55 0.11 -0.55 0.00 0.00 0.00 176.54 176.62 2qpp h ASP 160 N 0.34 0.09 0.14 0.19 3.32 -0.97 -2.14 116.42 117.40 2qpp h ASP 160 Ca 0.06 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 2qpp h ASP 160 Cb 0.69 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2qpp h ASP 160 CO 0.05 0.09 -0.22 -0.07 -1.72 0.00 0.00 179.24 177.36 2qpp h LEU 161 N 0.25 0.15 0.33 1.55 3.38 -1.45 -1.97 115.31 117.54 2qpp h LEU 161 Ca 0.17 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2qpp h LEU 161 Cb 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2qpp h LEU 161 CO -0.19 0.38 -0.16 0.28 0.09 0.00 0.00 178.44 178.84 2qpp h SER 162 N 0.14 -0.38 -0.19 -0.43 0.02 -1.29 -3.38 113.55 108.05 2qpp h SER 162 Ca 0.02 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2qpp h SER 162 Cb 0.48 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2qpp h SER 162 CO 0.03 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.42 2qpp n GLY 163 N 0.46 1.17 0.28 -3.77 0.00 -0.86 -4.64 105.19 97.83 2qpp n GLY 163 Ca -0.07 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.31 2qpp n GLY 163 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qpp h GLY 164 N 4.68 1.13 1.24 -0.02 0.00 -1.54 -2.61 103.07 105.96 2qpp h GLY 164 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 2qpp h GLY 164 CO 0.00 -0.02 -0.15 1.46 0.00 0.00 0.00 176.54 177.83 2qpp h GLN 165 N 0.53 0.88 0.06 4.80 7.50 -1.82 -2.65 115.11 124.41 2qpp h GLN 165 Ca 0.39 -0.33 -0.00 0.00 0.50 0.00 0.00 58.65 59.21 2qpp h GLN 165 Cb 0.51 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.99 2qpp h GLN 165 CO -0.34 0.97 -0.03 0.28 -1.50 0.00 0.00 178.83 178.22 2qpp h VAL 166 N 0.78 1.26 -0.42 -0.54 2.07 -1.82 -3.21 116.25 114.36 2qpp h VAL 166 Ca 0.12 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 2qpp h VAL 166 Cb 0.68 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 2qpp h VAL 166 CO 0.05 0.29 0.18 -0.07 0.02 0.00 0.00 177.57 178.04 2qpp h LEU 167 N -0.63 0.53 -0.19 2.57 3.38 -1.52 -1.92 115.31 117.52 2qpp h LEU 167 Ca -0.01 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2qpp h LEU 167 Cb 0.54 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2qpp h LEU 167 CO 0.01 0.47 0.08 0.50 0.09 0.00 0.00 178.44 179.60 2qpp h LYS 168 N 0.59 0.17 -0.56 1.13 3.64 -1.56 -1.73 116.57 118.25 2qpp h LYS 168 Ca 0.15 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 2qpp h LYS 168 Cb 0.10 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2qpp h LYS 168 CO -0.02 0.11 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.00 2qpp h LYS 169 N 0.18 1.03 0.01 1.90 1.63 -1.46 -2.61 116.57 117.25 2qpp h LYS 169 Ca 0.08 -0.35 -0.00 0.00 -0.85 0.00 0.00 60.65 59.52 2qpp h LYS 169 Cb 0.03 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 2qpp h LYS 169 CO -0.07 1.04 -0.00 0.28 -3.45 0.00 0.00 179.45 177.25 2qpp h VAL 170 N 0.93 1.18 -0.55 2.00 2.07 -1.26 -2.80 116.25 117.81 2qpp h VAL 170 Ca 0.15 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 2qpp h VAL 170 Cb 0.62 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2qpp h VAL 170 CO 0.04 0.15 0.07 0.00 0.02 0.00 0.00 177.57 177.85 2qpp h ALA 171 N 0.72 1.08 -0.25 1.67 0.00 -1.35 -1.32 119.26 119.81 2qpp h ALA 171 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2qpp h ALA 171 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2qpp h ALA 171 CO 0.00 0.59 0.13 1.96 0.00 0.00 0.00 179.25 181.94 2qpp h GLN 172 N 0.85 0.36 -0.31 0.00 4.20 -1.48 -1.86 115.11 116.87 2qpp h GLN 172 Ca 0.17 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.68 2qpp h GLN 172 Cb 0.41 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2qpp h GLN 172 CO 0.01 0.34 -0.40 -0.09 -0.67 0.00 0.00 178.83 178.02 2qpp h ARG 173 N 0.29 0.76 -0.21 1.46 2.43 -1.38 -0.45 114.38 117.27 2qpp h ARG 173 Ca 0.09 -0.40 -0.12 0.00 -0.81 0.00 0.00 59.98 58.73 2qpp h ARG 173 Cb 0.09 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2qpp h ARG 173 CO -0.01 1.03 -0.39 0.00 -1.51 0.00 0.00 179.97 179.09 2qpp h ALA 174 N 0.92 0.93 -0.26 2.80 0.00 -1.15 -3.26 119.26 119.24 2qpp h ALA 174 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2qpp h ALA 174 Cb 0.96 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2qpp h ALA 174 CO 0.09 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.24 2qpp n LEU 175 N -4.04 2.72 -3.69 0.00 4.77 -0.71 -4.96 117.00 111.09 2qpp n LEU 175 Ca -0.01 -1.61 -0.26 0.00 -0.03 0.00 0.00 56.01 54.10 2qpp n LEU 175 Cb 0.50 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.48 2qpp n LEU 175 CO 0.44 0.63 0.20 0.29 -1.33 0.00 0.00 177.39 177.62 2qpp n LYS 176 N 0.73 -7.20 -2.24 3.23 4.76 -0.70 -5.00 118.16 111.75 2qpp n LYS 176 Ca 0.11 0.76 -0.32 0.00 -2.87 0.00 0.00 58.31 55.99 2qpp n LYS 176 Cb 0.41 -5.76 -0.02 0.00 -1.84 0.00 0.00 35.03 27.82 2qpp n LYS 176 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qpp s LEU 177 N -7.28 3.55 0.27 -0.35 1.43 -0.26 -5.01 118.68 111.03 2qpp s LEU 177 Ca 0.59 1.65 -0.29 0.00 -1.03 0.00 0.00 54.13 55.05 2qpp s LEU 177 Cb -0.27 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.33 2qpp s LEU 177 CO 0.76 -0.81 1.30 -2.84 0.23 0.00 0.00 176.35 174.99 2qpp s PRO 178 N -4.14 4.39 0.49 1.29 0.02 -1.26 -4.83 135.00 130.96 2qpp s PRO 178 Ca 0.60 2.13 0.33 0.00 0.02 0.00 0.00 61.00 64.08 2qpp s PRO 178 Cb -0.12 -3.13 1.48 0.00 0.02 0.00 0.00 34.50 32.75 2qpp s PRO 178 CO 0.35 -0.19 1.98 0.66 -0.33 0.00 0.00 177.00 179.46 2qpp h SER 179 N 4.26 0.00 0.59 2.53 4.64 -1.95 -2.72 113.55 120.91 2qpp h SER 179 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2qpp h SER 179 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2qpp h SER 179 CO 0.71 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.02 2qpp n THR 180 N -2.84 0.92 0.00 2.95 -2.24 -1.26 -4.88 114.28 106.92 2qpp n THR 180 Ca 0.00 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 2qpp n THR 180 Cb 0.22 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 2qpp n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qpp n GLY 181 N -0.18 1.86 3.67 3.38 0.00 -1.02 -5.10 105.19 107.80 2qpp n GLY 181 Ca 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.59 2qpp n GLY 181 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qpp n GLU 182 N 0.00 2.16 0.00 1.61 4.71 -1.26 -1.82 120.64 126.04 2qpp n GLU 182 Ca 0.00 0.77 0.00 0.00 -0.01 0.00 0.00 57.16 57.92 2qpp n GLU 182 Cb 0.00 -2.52 0.00 0.00 -1.01 0.00 0.00 31.44 27.91 2qpp n GLU 182 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2qpp n GLY 183 N 3.05 1.41 0.53 0.62 0.00 -1.26 -4.38 105.19 105.16 2qpp n GLY 183 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 2qpp n GLY 183 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qpp n THR 184 N -2.00 0.74 0.02 2.61 -2.24 -0.75 -4.85 114.28 107.80 2qpp n THR 184 Ca 0.00 -1.09 0.20 0.00 -2.27 0.00 0.00 64.05 60.89 2qpp n THR 184 Cb 0.00 0.30 0.70 0.00 -2.10 0.00 0.00 70.33 69.23 2qpp n THR 184 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2qpp h GLN 185 N 0.24 0.00 -0.78 -0.78 1.08 -1.83 -1.17 115.11 111.87 2qpp h GLN 185 Ca -0.03 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2qpp h GLN 185 Cb 1.32 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.71 2qpp h GLN 185 CO 0.01 0.00 0.51 0.35 -0.95 0.00 0.00 178.83 178.76 2qpp h PHE 186 N 0.00 0.93 -0.00 2.96 3.57 -1.89 -2.84 116.94 119.67 2qpp h PHE 186 Ca 0.24 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2qpp h PHE 186 Cb 0.99 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.41 2qpp h PHE 186 CO 0.00 0.55 -0.17 0.66 -2.23 0.00 0.00 178.31 177.12 2qpp n TYR 187 N -4.45 0.00 -3.72 0.41 4.01 -0.44 -4.73 117.16 108.24 2qpp n TYR 187 Ca 0.10 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.46 2qpp n TYR 187 Cb 0.10 -0.26 -0.12 0.00 -0.31 0.00 0.00 39.34 38.75 2qpp n TYR 187 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2qpp s LEU 188 N -2.69 3.86 -1.01 7.72 2.96 -1.07 -4.47 118.68 123.98 2qpp s LEU 188 Ca 0.22 -0.56 -0.15 0.00 -0.22 0.00 0.00 54.13 53.42 2qpp s LEU 188 Cb 0.19 -1.93 0.19 0.00 0.50 0.00 0.00 46.19 45.14 2qpp s LEU 188 CO 0.53 -0.17 1.11 -0.36 -1.32 0.00 0.00 176.35 176.15 2qpp s PHE 189 N 1.56 3.57 -2.00 5.38 0.08 -1.26 -4.90 117.98 120.41 2qpp s PHE 189 Ca 0.04 -1.95 0.06 0.00 0.12 0.00 0.00 56.93 55.21 2qpp s PHE 189 Cb -0.17 -4.10 0.38 0.00 -0.57 0.00 0.00 43.02 38.56 2qpp s PHE 189 CO 0.04 -1.25 0.96 -0.85 -0.10 0.00 0.00 175.22 174.01 2qpp n GLU 190 N 5.04 0.67 0.00 0.44 0.28 -1.26 -2.00 120.64 123.81 2qpp n GLU 190 Ca 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.25 2qpp n GLU 190 Cb 0.45 -1.15 0.00 0.00 1.43 0.00 0.00 31.44 32.18 2qpp n GLU 190 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2qpp n ASN 191 N -0.65 1.28 -4.43 -1.84 3.02 -1.26 -4.95 115.26 106.43 2qpp n ASN 191 Ca 0.05 -1.42 -0.40 0.00 -0.03 0.00 0.00 54.58 52.78 2qpp n ASN 191 Cb 0.02 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.08 2qpp n ASN 191 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2qpp s VAL 192 N -0.42 4.77 0.19 2.41 1.01 -0.85 -4.83 120.40 122.68 2qpp s VAL 192 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.40 2qpp s VAL 192 Cb 0.00 -3.56 -0.12 0.00 0.00 0.00 0.00 36.38 32.70 2qpp s VAL 192 CO 0.00 -0.12 1.43 0.44 0.00 0.00 0.00 175.10 176.85 2qpp h ASP 193 N 8.44 0.22 -2.29 3.32 5.19 -1.93 -3.43 116.42 125.95 2qpp h ASP 193 Ca -0.28 -0.17 -0.12 0.00 -0.62 0.00 0.00 57.03 55.83 2qpp h ASP 193 Cb 1.13 -0.07 -0.29 0.00 0.18 0.00 0.00 39.33 40.28 2qpp h ASP 193 CO 0.66 0.93 -0.42 0.21 -3.12 0.00 0.00 179.24 177.49 2qpp s ASN 194 N -6.90 -0.03 0.15 6.45 3.84 -1.26 -5.06 114.94 112.13 2qpp s ASN 194 Ca -0.03 0.67 -0.11 0.00 0.21 0.00 0.00 52.86 53.60 2qpp s ASN 194 Cb 0.11 1.22 0.01 0.00 -0.55 0.00 0.00 41.25 42.03 2qpp s ASN 194 CO 0.82 -0.26 1.57 0.00 -2.79 0.00 0.00 177.10 176.43 2qpp h ALA 195 N 8.18 0.67 -0.17 1.71 0.00 -1.91 -1.96 119.26 125.77 2qpp h ALA 195 Ca -0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2qpp h ALA 195 Cb 1.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2qpp h ALA 195 CO 0.18 0.57 0.07 1.96 0.00 0.00 0.00 179.25 182.03 2qpp h GLN 196 N 0.78 0.25 -0.43 0.00 1.08 -1.97 -0.89 115.11 113.93 2qpp h GLN 196 Ca 0.12 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 2qpp h GLN 196 Cb 0.66 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 2qpp h GLN 196 CO 0.05 0.32 0.08 1.96 -0.95 0.00 0.00 178.83 180.28 2qpp h GLN 197 N 0.13 0.66 -0.32 1.46 4.20 -1.99 -1.84 115.11 117.41 2qpp h GLN 197 Ca 0.06 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 58.49 2qpp h GLN 197 Cb 0.16 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2qpp h GLN 197 CO -0.01 0.63 -0.39 0.35 -0.67 0.00 0.00 178.83 178.74 2qpp h PHE 198 N 0.64 0.92 -0.40 2.96 3.57 -1.16 -1.89 116.94 121.57 2qpp h PHE 198 Ca 0.14 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2qpp h PHE 198 Cb 0.29 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2qpp h PHE 198 CO 0.01 1.04 0.25 0.87 -2.23 0.00 0.00 178.31 178.25 2qpp h LYS 199 N 0.63 0.54 -0.52 1.11 1.57 -0.75 0.81 116.57 119.95 2qpp h LYS 199 Ca 0.05 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 2qpp h LYS 199 Cb 0.95 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.08 2qpp h LYS 199 CO 0.09 0.38 0.20 1.96 -0.57 0.00 0.00 179.45 181.51 2qpp h GLN 200 N 0.53 0.38 -0.28 3.15 4.20 -1.27 0.20 115.11 122.02 2qpp h GLN 200 Ca 0.14 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.87 2qpp h GLN 200 Cb -0.03 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2qpp h GLN 200 CO -0.03 0.25 0.07 1.25 -0.67 0.00 0.00 178.83 179.70 2qpp h LEU 201 N 0.39 0.05 -0.43 1.46 5.85 -0.94 -2.33 115.31 119.36 2qpp h LEU 201 Ca 0.25 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2qpp h LEU 201 Cb 0.25 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2qpp h LEU 201 CO -0.24 0.06 0.20 0.22 -0.34 0.00 0.00 178.44 178.35 2qpp h TYR 202 N 0.18 0.63 -0.45 1.25 3.20 -0.16 -2.21 116.97 119.41 2qpp h TYR 202 Ca 0.13 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.99 2qpp h TYR 202 Cb 0.12 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 2qpp h TYR 202 CO -0.15 0.52 0.26 0.00 -1.64 0.00 0.00 178.16 177.14 2qpp h ARG 203 N 0.56 0.50 -0.11 1.82 3.08 -0.91 -1.52 114.38 117.79 2qpp h ARG 203 Ca 0.15 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 2qpp h ARG 203 Cb 0.13 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2qpp h ARG 203 CO -0.02 0.33 -0.07 0.00 -1.07 0.00 0.00 179.97 179.14 2qpp h ALA 204 N 1.21 1.68 -0.07 0.04 0.00 -1.19 -1.65 119.26 119.27 2qpp h ALA 204 Ca 0.19 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 2qpp h ALA 204 Cb 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qpp h ALA 204 CO -0.10 0.24 -0.91 0.00 0.00 0.00 0.00 179.25 178.48 2qpp h ARG 205 N 0.16 0.72 -0.55 0.00 3.08 -0.92 -2.86 114.38 114.00 2qpp h ARG 205 Ca 0.04 -0.67 0.05 0.00 0.07 0.00 0.00 59.98 59.46 2qpp h ARG 205 Cb 0.23 0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 2qpp h ARG 205 CO 0.01 1.27 0.29 0.52 -1.07 0.00 0.00 179.97 180.98 2qpp h MET 206 N 0.45 0.53 0.00 0.04 2.86 -0.97 -2.97 114.93 114.87 2qpp h MET 206 Ca -0.09 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2qpp h MET 206 Cb 1.55 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.09 2qpp h MET 206 CO 0.18 0.35 0.00 -0.91 1.06 0.00 0.00 176.91 177.59 2qpp h ASN 207 N 0.55 0.00 0.99 1.22 2.35 -1.28 -2.60 115.58 116.81 2qpp h ASN 207 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2qpp h ASN 207 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2qpp h ASN 207 CO -0.16 0.00 -0.29 0.00 -1.65 0.00 0.00 177.43 175.33 2qpp n ALA 208 N -2.02 2.73 -1.87 -0.83 0.00 -1.08 -4.89 120.51 112.56 2qpp n ALA 208 Ca 0.01 -0.17 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 2qpp n ALA 208 Cb 0.30 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 2qpp n ALA 208 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qpp s LEU 209 N -3.80 4.38 -0.50 0.00 1.43 -0.98 -4.95 118.68 114.27 2qpp s LEU 209 Ca 0.10 2.70 -0.29 0.00 -1.03 0.00 0.00 54.13 55.61 2qpp s LEU 209 Cb 0.15 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.78 2qpp s LEU 209 CO 0.64 -0.72 1.14 -1.81 0.23 0.00 0.00 176.35 175.82 2qpp s ASP 210 N 0.38 6.59 -0.01 2.29 1.01 -1.26 -5.00 116.67 120.67 2qpp s ASP 210 Ca 0.60 0.37 -0.02 0.00 0.71 0.00 0.00 52.55 54.21 2qpp s ASP 210 Cb -0.42 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 40.96 2qpp s ASP 210 CO 0.44 -1.29 0.05 -0.76 0.21 0.00 0.00 175.17 173.82 2qpp s LEU 211 N 4.51 1.83 1.22 1.23 1.43 -1.26 -5.03 118.68 122.62 2qpp s LEU 211 Ca 0.46 0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 53.43 2qpp s LEU 211 Cb -0.07 0.21 0.30 0.00 0.03 0.00 0.00 46.19 46.66 2qpp s LEU 211 CO 0.30 -0.08 1.01 0.20 0.23 0.00 0.00 176.35 178.02 2qpp s ASN 212 N -0.24 0.53 0.26 2.29 0.01 -1.26 -4.89 114.94 111.64 2qpp s ASN 212 Ca -0.03 1.30 0.11 0.00 -0.71 0.00 0.00 52.86 53.53 2qpp s ASN 212 Cb -0.02 -2.00 0.32 0.00 0.41 0.00 0.00 41.25 39.96 2qpp s ASN 212 CO 0.00 -4.45 1.58 -0.03 -1.51 0.00 0.00 177.10 172.69 2qpp h MET 213 N -2.79 0.00 0.24 -0.60 4.05 -2.01 -2.85 114.93 110.97 2qpp h MET 213 Ca -0.58 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.83 2qpp h MET 213 Cb 1.34 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.14 2qpp h MET 213 CO 0.46 0.64 -0.12 -0.22 0.23 0.00 0.00 176.91 177.91 2qpp h LYS 214 N 0.00 -0.31 -0.77 0.39 3.64 -1.99 -1.91 116.57 115.62 2qpp h LYS 214 Ca -0.01 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2qpp h LYS 214 Cb 1.16 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 2qpp h LYS 214 CO 0.08 -0.09 0.41 1.15 -2.27 0.00 0.00 179.45 178.73 2qpp h THR 215 N -0.49 1.23 -0.56 1.00 2.02 -1.93 -0.83 112.91 113.34 2qpp h THR 215 Ca -0.03 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2qpp h THR 215 Cb 0.37 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 2qpp h THR 215 CO 0.05 0.26 0.35 0.11 0.37 0.00 0.00 175.52 176.67 2qpp h LYS 216 N 1.08 0.75 -0.85 6.66 1.57 -1.46 0.59 116.57 124.90 2qpp h LYS 216 Ca 0.27 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2qpp h LYS 216 Cb 0.04 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 2qpp h LYS 216 CO -0.04 0.52 0.41 0.93 -0.57 0.00 0.00 179.45 180.70 2qpp h GLU 217 N 0.75 1.22 -0.35 3.15 5.08 -0.62 -1.56 114.58 122.25 2qpp h GLU 217 Ca 0.20 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2qpp h GLU 217 Cb -0.05 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 2qpp h GLU 217 CO -0.04 0.93 0.00 0.00 -1.00 0.00 0.00 179.01 178.90 2qpp h ARG 218 N 1.21 0.61 -0.54 2.33 3.08 -0.86 -1.76 114.38 118.45 2qpp h ARG 218 Ca 0.29 -0.19 0.07 0.00 0.07 0.00 0.00 59.98 60.22 2qpp h ARG 218 Cb 0.11 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 2qpp h ARG 218 CO -0.04 0.73 0.21 0.82 -1.07 0.00 0.00 179.97 180.62 2qpp h ILE 219 N 0.42 0.83 -0.74 2.04 2.04 -0.60 0.69 117.51 122.20 2qpp h ILE 219 Ca 0.10 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2qpp h ILE 219 Cb 0.45 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2qpp h ILE 219 CO 0.02 0.07 0.38 0.58 0.00 0.00 0.00 178.15 179.20 2qpp h VAL 220 N 0.41 1.23 -0.48 1.67 2.07 -1.18 -1.34 116.25 118.62 2qpp h VAL 220 Ca 0.26 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 2qpp h VAL 220 Cb 0.28 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2qpp h VAL 220 CO -0.25 0.26 0.09 -0.08 0.02 0.00 0.00 177.57 177.61 2qpp h GLU 221 N 1.03 0.75 0.00 1.57 4.81 -0.75 -2.34 114.58 119.65 2qpp h GLU 221 Ca 0.26 -0.16 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 2qpp h GLU 221 Cb 0.07 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2qpp h GLU 221 CO -0.04 0.70 -0.61 1.49 -0.73 0.00 0.00 179.01 179.82 2qpp h GLU 222 N 0.72 0.00 -0.34 1.92 4.57 -0.43 -2.14 114.58 118.87 2qpp h GLU 222 Ca 0.16 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.17 2qpp h GLU 222 Cb 0.31 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2qpp h GLU 222 CO 0.00 0.61 -0.45 0.00 -1.18 0.00 0.00 179.01 178.00 2qpp h ALA 223 N 1.39 0.55 -0.62 2.92 0.00 -1.00 -0.75 119.26 121.74 2qpp h ALA 223 Ca -0.01 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2qpp h ALA 223 Cb 1.15 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2qpp h ALA 223 CO 0.08 0.68 0.17 -0.91 0.00 0.00 0.00 179.25 179.26 2qpp h ASN 224 N 0.72 0.90 -0.43 0.00 2.35 -1.35 -1.20 115.58 116.57 2qpp h ASN 224 Ca 0.04 -0.17 0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2qpp h ASN 224 Cb 1.05 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 39.15 2qpp h ASN 224 CO 0.11 0.86 0.25 0.11 -1.65 0.00 0.00 177.43 177.11 2qpp h LYS 225 N 0.92 0.50 -0.69 0.81 1.57 -1.28 -2.16 116.57 116.23 2qpp h LYS 225 Ca 0.20 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.02 2qpp h LYS 225 Cb 0.31 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 2qpp h LYS 225 CO -0.00 0.33 0.37 0.00 -0.57 0.00 0.00 179.45 179.58 2qpp h ALA 226 N 1.19 0.94 -0.76 3.86 0.00 -0.53 -0.88 119.26 123.07 2qpp h ALA 226 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2qpp h ALA 226 Cb 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2qpp h ALA 226 CO -0.08 0.03 0.42 0.74 0.00 0.00 0.00 179.25 180.36 2qpp h PHE 227 N 0.67 1.04 -0.36 0.00 -1.00 -1.05 -2.07 116.94 114.18 2qpp h PHE 227 Ca 0.32 -0.02 -0.05 0.00 2.81 0.00 0.00 57.97 61.03 2qpp h PHE 227 Cb 0.24 -0.33 -0.02 0.00 3.61 0.00 0.00 35.95 39.45 2qpp h PHE 227 CO -0.09 0.73 0.01 0.93 -1.61 0.00 0.00 178.31 178.28 2qpp h GLU 228 N 1.05 0.55 -0.73 1.51 4.39 -0.62 0.12 114.58 120.85 2qpp h GLU 228 Ca 0.27 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 2qpp h GLU 228 Cb 0.03 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 2qpp h GLU 228 CO -0.04 0.57 0.20 1.88 -1.16 0.00 0.00 179.01 180.46 2qpp h TYR 229 N 0.53 1.19 -0.44 4.33 -1.99 -0.89 -1.71 116.97 117.99 2qpp h TYR 229 Ca 0.11 -0.13 -0.09 0.00 2.00 0.00 0.00 58.73 60.63 2qpp h TYR 229 Cb 0.32 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 38.69 2qpp h TYR 229 CO 0.01 0.95 -0.08 -0.91 -0.00 0.00 0.00 178.16 178.14 2qpp h ASN 230 N 1.09 0.75 -0.14 3.88 2.35 -0.53 -2.18 115.58 120.80 2qpp h ASN 230 Ca 0.23 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2qpp h ASN 230 Cb 0.34 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2qpp h ASN 230 CO -0.00 0.87 0.08 0.24 -1.65 0.00 0.00 177.43 176.97 2qpp h MET 231 N 0.70 0.19 -0.48 0.81 2.86 -0.60 -1.21 114.93 117.20 2qpp h MET 231 Ca 0.12 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.81 2qpp h MET 231 Cb 0.54 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.11 2qpp h MET 231 CO 0.03 0.18 0.17 1.96 1.06 0.00 0.00 176.91 180.32 2qpp h GLN 232 N 0.15 0.34 -0.60 1.72 4.20 -1.19 -1.41 115.11 118.32 2qpp h GLN 232 Ca 0.05 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.78 2qpp h GLN 232 Cb 0.04 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.70 2qpp h GLN 232 CO -0.01 0.22 0.34 0.82 -0.67 0.00 0.00 178.83 179.53 2qpp h ILE 233 N 0.35 1.00 0.08 2.54 2.04 -1.17 -1.32 117.51 121.02 2qpp h ILE 233 Ca 0.23 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 2qpp h ILE 233 Cb 0.24 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2qpp h ILE 233 CO -0.24 0.12 -0.04 -0.26 0.00 0.00 0.00 178.15 177.73 2qpp h PHE 234 N 0.65 -0.10 0.00 1.37 0.04 -0.64 -2.11 116.94 116.15 2qpp h PHE 234 Ca 0.26 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.03 2qpp h PHE 234 Cb 0.12 0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2qpp h PHE 234 CO -0.08 0.12 0.00 -2.95 -0.60 0.00 0.00 178.31 174.81 2qpp h ASN 235 N -0.32 0.00 -0.13 2.17 7.08 -1.21 0.21 115.58 123.38 2qpp h ASN 235 Ca -0.01 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.15 2qpp h ASN 235 Cb 0.27 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.51 2qpp h ASN 235 CO 0.02 0.00 -0.15 -0.08 -2.08 0.00 0.00 177.43 175.13 2qpp h GLU 236 N 0.00 0.33 -0.46 4.14 4.81 -1.08 -2.54 114.58 119.79 2qpp h GLU 236 Ca 0.00 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 58.98 2qpp h GLU 236 Cb 0.47 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2qpp h GLU 236 CO 0.00 0.75 0.03 -0.07 -0.73 0.00 0.00 179.01 178.99 2qpp h LEU 237 N -0.06 0.69 -0.16 1.64 3.38 -0.61 0.14 115.31 120.33 2qpp h LEU 237 Ca 0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2qpp h LEU 237 Cb 0.70 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2qpp h LEU 237 CO 0.04 0.74 0.09 -0.78 0.09 0.00 0.00 178.44 178.62 2qpp h ASP 238 N 0.70 0.20 1.64 -0.43 3.58 -0.66 -0.06 116.42 121.38 2qpp h ASP 238 Ca 0.14 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 2qpp h ASP 238 Cb 0.38 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.38 2qpp h ASP 238 CO 0.01 0.20 -0.04 1.56 -2.88 0.00 0.00 179.24 178.09 2qpp h GLN 239 N 0.18 0.00 0.00 0.28 4.20 -1.31 -2.30 115.11 116.16 2qpp h GLN 239 Ca 0.06 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 2qpp h GLN 239 Cb 0.04 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2qpp h GLN 239 CO -0.01 0.04 -0.63 0.00 -0.67 0.00 0.00 178.83 177.56 2qpp h ALA 240 N 1.96 0.85 0.00 3.87 0.00 -0.72 -2.99 119.26 122.23 2qpp h ALA 240 Ca -0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 2qpp h ALA 240 Cb 0.87 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2qpp h ALA 240 CO 0.01 0.79 -0.37 0.78 0.00 0.00 0.00 179.25 180.45 2qpp h GLY 241 N 2.22 0.00 1.86 0.00 0.00 -0.49 -2.28 103.07 104.38 2qpp h GLY 241 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2qpp h GLY 241 CO 0.08 0.00 -0.84 1.76 0.00 0.00 0.00 176.54 177.54 2qpp h SER 242 N 0.00 0.16 1.45 0.19 0.02 -1.36 -2.12 113.55 111.89 2qpp h SER 242 Ca -0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2qpp h SER 242 Cb 1.11 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2qpp h SER 242 CO 0.05 0.93 -0.18 0.71 -1.14 0.00 0.00 176.83 177.19 2qpp h THR 243 N 0.07 0.00 0.00 -2.27 1.35 -1.52 -2.83 112.91 107.72 2qpp h THR 243 Ca -0.03 -0.64 -0.19 0.00 -0.55 0.00 0.00 66.41 65.00 2qpp h THR 243 Cb 1.46 1.52 -0.02 0.00 -1.73 0.00 0.00 68.15 69.39 2qpp h THR 243 CO 0.12 0.00 -0.87 0.25 -0.25 0.00 0.00 175.52 174.78 2qpp h LEU 244 N 0.00 0.16 0.12 3.87 6.46 -1.23 -3.24 115.31 121.44 2qpp h LEU 244 Ca 0.00 -0.13 -0.27 0.00 -0.12 0.00 0.00 57.88 57.36 2qpp h LEU 244 Cb 0.82 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.70 2qpp h LEU 244 CO 0.00 0.95 -1.23 0.00 -0.62 0.00 0.00 178.44 177.54 2qpp h ALA 245 N 1.04 0.13 -0.29 1.25 0.00 -1.34 -2.96 119.26 117.09 2qpp h ALA 245 Ca -0.03 -0.90 -0.06 0.00 0.00 0.00 0.00 54.91 53.92 2qpp h ALA 245 Cb 1.50 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2qpp h ALA 245 CO 0.13 1.01 -0.06 0.00 0.00 0.00 0.00 179.25 180.32 2qpp h ARG 246 N 0.07 0.46 0.04 0.00 3.08 -1.61 -3.16 114.38 113.26 2qpp h ARG 246 Ca -0.13 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 2qpp h ARG 246 Cb 1.96 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.95 2qpp h ARG 246 CO 0.20 0.53 -0.02 1.49 -1.07 0.00 0.00 179.97 181.10 2qpp h GLU 247 N 0.43 -0.06 0.00 0.04 4.81 -1.63 -3.52 114.58 114.66 2qpp h GLU 247 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2qpp h GLU 247 Cb 0.39 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2qpp h GLU 247 CO 0.02 0.55 0.00 -2.37 -0.73 0.00 0.00 179.01 176.48