#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmq n ASN 9 N 0.00 0.00 -4.53 0.55 3.02 -1.26 -4.80 115.26 108.24 1xmq n ASN 9 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1xmq n ASN 9 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1xmq n ASN 9 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xmq s LEU 10 N 0.00 3.53 0.53 3.41 2.96 -1.26 -4.85 118.68 123.00 1xmq s LEU 10 Ca 0.00 -0.73 0.16 0.00 -0.22 0.00 0.00 54.13 53.35 1xmq s LEU 10 Cb 0.00 -2.52 0.56 0.00 0.50 0.00 0.00 46.19 44.72 1xmq s LEU 10 CO 0.00 -1.69 1.03 -1.20 -1.32 0.00 0.00 176.35 173.17 1xmq n SER 11 N 8.87 0.00 -3.21 3.68 7.64 -1.26 -2.41 113.62 126.92 1xmq n SER 11 Ca 0.05 0.58 -0.27 0.00 1.01 0.00 0.00 58.87 60.24 1xmq n SER 11 Cb 0.48 -0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.50 1xmq n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xmq n ALA 12 N -1.89 5.61 0.03 -0.43 0.00 -1.26 -2.04 120.51 120.52 1xmq n ALA 12 Ca 0.14 -2.47 0.03 0.00 0.00 0.00 0.00 53.44 51.15 1xmq n ALA 12 Cb 1.18 -3.11 -0.05 0.00 0.00 0.00 0.00 19.45 17.46 1xmq n ALA 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xmq n LEU 13 N 4.00 0.03 -0.30 0.00 4.32 -1.01 -4.38 117.00 119.67 1xmq n LEU 13 Ca 0.55 -0.05 0.07 0.00 -0.02 0.00 0.00 56.01 56.57 1xmq n LEU 13 Cb 0.16 0.00 0.23 0.00 -1.62 0.00 0.00 43.42 42.19 1xmq n LEU 13 CO 0.75 0.01 1.10 0.50 -1.22 0.00 0.00 177.39 178.53 1xmq h LYS 14 N 0.00 0.61 -0.40 3.23 3.64 -1.70 0.45 116.57 122.40 1xmq h LYS 14 Ca 0.00 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1xmq h LYS 14 Cb 0.30 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1xmq h LYS 14 CO 0.00 0.40 0.27 0.00 -2.27 0.00 0.00 179.45 177.85 1xmq h ARG 15 N 0.63 0.38 0.30 1.90 2.47 -1.84 0.39 114.38 118.60 1xmq h ARG 15 Ca 0.47 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 59.15 1xmq h ARG 15 Cb 0.66 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1xmq h ARG 15 CO -0.36 0.25 -0.14 1.25 0.56 0.00 0.00 179.97 181.53 1xmq h HIS 16 N 0.40 -0.37 -0.59 3.04 2.76 -0.45 -0.48 115.15 119.45 1xmq h HIS 16 Ca 0.17 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.44 1xmq h HIS 16 Cb 0.18 0.12 -0.12 0.00 1.55 0.00 0.00 27.41 29.14 1xmq h HIS 16 CO -0.00 -0.02 -0.28 0.00 -1.30 0.00 0.00 177.93 176.33 1xmq h ARG 17 N -0.84 -0.12 -0.62 5.26 3.08 0.03 -0.88 114.38 120.29 1xmq h ARG 17 Ca -0.04 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1xmq h ARG 17 Cb 0.52 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1xmq h ARG 17 CO 0.07 -0.08 0.40 1.96 -1.07 0.00 0.00 179.97 181.25 1xmq h GLN 18 N -0.13 0.83 -0.54 0.04 4.20 -0.29 -2.62 115.11 116.61 1xmq h GLN 18 Ca 0.25 -0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.98 1xmq h GLN 18 Cb 0.53 -0.18 -0.06 0.00 0.30 0.00 0.00 27.48 28.06 1xmq h GLN 18 CO -0.67 0.56 0.18 0.66 -0.67 0.00 0.00 178.83 178.90 1xmq h SER 19 N 0.85 0.16 -0.66 1.46 4.64 0.29 -0.90 113.55 119.38 1xmq h SER 19 Ca 0.23 0.07 0.05 0.00 -0.47 0.00 0.00 61.79 61.67 1xmq h SER 19 Cb -0.08 0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 62.02 1xmq h SER 19 CO -0.05 0.11 0.38 -0.07 -0.87 0.00 0.00 176.83 176.33 1xmq h LEU 20 N 0.35 0.58 0.09 5.97 3.38 -0.98 0.79 115.31 125.48 1xmq h LEU 20 Ca 0.26 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1xmq h LEU 20 Cb 0.31 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1xmq h LEU 20 CO -0.28 0.38 -0.04 0.11 0.09 0.00 0.00 178.44 178.70 1xmq h LYS 21 N 0.71 -0.12 -0.74 1.13 1.57 -1.17 -0.75 116.57 117.20 1xmq h LYS 21 Ca 0.29 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.18 1xmq h LYS 21 Cb 0.15 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.41 1xmq h LYS 21 CO -0.16 0.07 0.36 0.00 -0.57 0.00 0.00 179.45 179.14 1xmq h ARG 22 N -0.28 0.57 0.19 3.15 3.08 -0.57 0.22 114.38 120.75 1xmq h ARG 22 Ca -0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1xmq h ARG 22 Cb 0.24 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1xmq h ARG 22 CO 0.02 0.38 -0.20 -0.09 -1.07 0.00 0.00 179.97 179.01 1xmq h ARG 23 N 0.59 -0.38 -0.97 0.04 2.43 0.96 0.96 114.38 118.02 1xmq h ARG 23 Ca 0.37 0.03 0.27 0.00 -0.81 0.00 0.00 59.98 59.84 1xmq h ARG 23 Cb 0.44 0.09 -0.13 0.00 -0.42 0.00 0.00 29.97 29.94 1xmq h ARG 23 CO -0.30 -0.25 0.52 1.25 -1.51 0.00 0.00 179.97 179.68 1xmq h LEU 24 N -0.39 0.50 -0.19 3.80 5.85 -0.64 0.99 115.31 125.23 1xmq h LEU 24 Ca -0.02 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1xmq h LEU 24 Cb 0.34 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1xmq h LEU 24 CO -0.02 -0.02 0.11 -0.09 -0.34 0.00 0.00 178.44 178.08 1xmq h ARG 25 N 0.43 0.26 -0.12 1.25 2.43 0.20 -2.17 114.38 116.66 1xmq h ARG 25 Ca 0.65 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.79 1xmq h ARG 25 Cb 1.33 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1xmq h ARG 25 CO -0.55 0.23 0.07 -0.91 -1.51 0.00 0.00 179.97 177.31 1xmq h ASN 26 N 0.22 0.15 -0.70 -3.80 2.35 0.16 -2.79 115.58 111.17 1xmq h ASN 26 Ca 0.07 -0.06 0.14 0.00 -0.55 0.00 0.00 56.30 55.90 1xmq h ASN 26 Cb 0.04 -0.04 -0.10 0.00 0.05 0.00 0.00 38.32 38.27 1xmq h ASN 26 CO -0.01 0.16 0.21 0.50 -1.65 0.00 0.00 177.43 176.64 1xmq h LYS 27 N 0.12 0.32 -0.16 0.81 3.64 -1.06 -1.65 116.57 118.60 1xmq h LYS 27 Ca 0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1xmq h LYS 27 Cb 0.04 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1xmq h LYS 27 CO -0.01 0.21 0.10 0.00 -2.27 0.00 0.00 179.45 177.49 1xmq h ALA 28 N 1.55 0.20 -0.06 5.00 0.00 -1.15 -2.11 119.26 122.69 1xmq h ALA 28 Ca 0.38 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1xmq h ALA 28 Cb 0.60 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1xmq h ALA 28 CO -0.44 -0.32 0.03 0.87 0.00 0.00 0.00 179.25 179.39 1xmq h LYS 29 N 0.21 0.09 -0.65 0.00 1.57 -1.09 -3.07 116.57 113.64 1xmq h LYS 29 Ca 0.06 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1xmq h LYS 29 Cb -0.02 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1xmq h LYS 29 CO -0.02 0.19 0.27 0.87 -0.57 0.00 0.00 179.45 180.19 1xmq h LYS 30 N -0.02 0.94 -0.36 3.15 1.57 -1.31 -2.47 116.57 118.07 1xmq h LYS 30 Ca 0.02 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1xmq h LYS 30 Cb 0.12 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 1xmq h LYS 30 CO -0.00 0.76 0.08 0.77 -0.57 0.00 0.00 179.45 180.49 1xmq h SER 31 N 0.93 0.04 -0.74 0.86 0.02 -1.31 -1.48 113.55 111.86 1xmq h SER 31 Ca 0.22 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.17 1xmq h SER 31 Cb 0.16 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 1xmq h SER 31 CO -0.02 0.06 0.25 0.00 -1.14 0.00 0.00 176.83 175.97 1xmq h ALA 32 N 1.26 1.03 -0.20 3.77 0.00 -1.39 -1.73 119.26 121.99 1xmq h ALA 32 Ca 0.17 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1xmq h ALA 32 Cb 0.18 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1xmq h ALA 32 CO -0.21 0.66 -0.01 0.82 0.00 0.00 0.00 179.25 180.51 1xmq h ILE 33 N 1.11 0.85 0.53 0.00 2.04 -0.92 -0.67 117.51 120.44 1xmq h ILE 33 Ca 0.24 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 66.07 1xmq h ILE 33 Cb 0.28 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1xmq h ILE 33 CO -0.01 0.01 -0.30 0.11 0.00 0.00 0.00 178.15 177.96 1xmq h LYS 34 N 0.05 -0.74 -0.65 2.37 1.57 -1.02 0.55 116.57 118.69 1xmq h LYS 34 Ca 0.09 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 59.06 1xmq h LYS 34 Cb 0.12 0.17 -0.11 0.00 0.08 0.00 0.00 32.23 32.49 1xmq h LYS 34 CO -0.17 -0.49 0.01 1.15 -0.57 0.00 0.00 179.45 179.38 1xmq h THR 35 N -0.77 0.46 -0.26 -0.16 2.02 -1.06 0.31 112.91 113.45 1xmq h THR 35 Ca -0.06 -0.04 -0.14 0.00 0.77 0.00 0.00 66.41 66.94 1xmq h THR 35 Cb 0.61 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1xmq h THR 35 CO 0.08 0.02 -0.41 -0.07 0.37 0.00 0.00 175.52 175.52 1xmq h LEU 36 N 0.12 0.65 0.57 2.58 3.38 -1.02 -0.23 115.31 121.37 1xmq h LEU 36 Ca 0.34 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1xmq h LEU 36 Cb 0.57 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1xmq h LEU 36 CO -0.55 0.98 -0.39 0.28 0.09 0.00 0.00 178.44 178.85 1xmq h SER 37 N 0.51 -1.02 0.07 -0.43 0.02 0.16 0.12 113.55 112.98 1xmq h SER 37 Ca 0.04 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1xmq h SER 37 Cb 0.92 0.31 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 1xmq h SER 37 CO 0.08 -0.59 -0.29 0.11 -1.14 0.00 0.00 176.83 175.00 1xmq h LYS 38 N -0.93 -0.40 -0.29 3.45 1.57 -0.51 -0.50 116.57 118.96 1xmq h LYS 38 Ca -0.07 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1xmq h LYS 38 Cb 0.77 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 1xmq h LYS 38 CO 0.04 -0.27 -0.17 1.17 -0.57 0.00 0.00 179.45 179.66 1xmq n LYS 39 N -4.10 -0.12 -0.03 3.15 0.00 -0.10 0.12 118.16 117.08 1xmq n LYS 39 Ca -0.05 0.44 -0.12 0.00 0.00 0.00 0.00 58.31 58.58 1xmq n LYS 39 Cb 0.23 -0.64 -0.06 0.00 0.00 0.00 0.00 35.03 34.55 1xmq n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xmq h ALA 40 N 0.16 0.17 -0.33 3.14 0.00 -0.29 -2.03 119.26 120.08 1xmq h ALA 40 Ca 0.05 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1xmq h ALA 40 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xmq h ALA 40 CO -0.27 -0.20 0.24 0.82 0.00 0.00 0.00 179.25 179.84 1xmq h ILE 41 N 0.01 0.80 0.26 0.00 5.03 0.26 -1.10 117.51 122.78 1xmq h ILE 41 Ca 0.04 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.77 1xmq h ILE 41 Cb 0.24 0.83 0.00 0.00 -3.03 0.00 0.00 36.82 34.87 1xmq h ILE 41 CO -0.00 0.00 -0.13 1.56 -0.68 0.00 0.00 178.15 178.90 1xmq h GLN 42 N 0.00 -0.34 -0.53 2.37 1.08 0.48 -1.97 115.11 116.20 1xmq h GLN 42 Ca 0.16 0.02 0.15 0.00 -1.45 0.00 0.00 58.65 57.53 1xmq h GLN 42 Cb 0.64 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.13 1xmq h GLN 42 CO -0.00 -0.23 0.41 -0.07 -0.95 0.00 0.00 178.83 177.99 1xmq h LEU 43 N -0.48 0.00 0.04 1.46 3.38 -1.28 -0.39 115.31 118.03 1xmq h LEU 43 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xmq h LEU 43 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xmq h LEU 43 CO 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.57 1xmq h ALA 44 N 1.68 -0.05 0.00 1.53 0.00 -1.19 -2.44 119.26 118.79 1xmq h ALA 44 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xmq h ALA 44 Cb 1.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xmq h ALA 44 CO -0.00 -0.35 0.00 0.94 0.00 0.00 0.00 179.25 179.84 1xmq n GLN 45 N -4.94 0.48 0.00 0.00 7.27 -0.16 -1.37 117.38 118.65 1xmq n GLN 45 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.99 1xmq n GLN 45 Cb 0.20 -1.26 0.00 0.00 2.41 0.00 0.00 30.24 31.59 1xmq n GLN 45 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1xmq n GLU 46 N 0.92 0.00 0.00 3.69 1.02 -1.01 -5.03 120.64 120.24 1xmq n GLU 46 Ca 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1xmq n GLU 46 Cb 0.24 -0.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.41 1xmq n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xmq n GLY 47 N 0.00 2.79 3.45 0.62 0.00 -0.47 -4.93 105.19 106.65 1xmq n GLY 47 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1xmq n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xmq n LYS 48 N -2.00 0.52 0.04 1.61 5.02 -0.95 -4.67 118.16 117.72 1xmq n LYS 48 Ca 0.00 -1.53 -0.11 0.00 -2.02 0.00 0.00 58.31 54.65 1xmq n LYS 48 Cb 0.00 -3.11 -0.04 0.00 -0.02 0.00 0.00 35.03 31.86 1xmq n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xmq h ALA 49 N 9.98 -0.31 0.31 7.82 0.00 -1.86 -1.48 119.26 133.72 1xmq h ALA 49 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1xmq h ALA 49 Cb 0.80 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1xmq h ALA 49 CO 1.66 -0.75 -0.32 1.49 0.00 0.00 0.00 179.25 181.33 1xmq h GLU 50 N -0.37 -0.61 0.00 0.00 4.81 -1.92 -1.35 114.58 115.15 1xmq h GLU 50 Ca 0.08 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1xmq h GLU 50 Cb 0.48 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1xmq h GLU 50 CO -0.27 -0.41 0.00 -0.85 -0.73 0.00 0.00 179.01 176.76 1xmq n GLU 51 N -4.31 0.08 0.03 1.92 0.28 -1.25 -1.57 120.64 115.83 1xmq n GLU 51 Ca -0.08 0.29 -0.19 0.00 -0.16 0.00 0.00 57.16 57.02 1xmq n GLU 51 Cb 0.29 -1.65 -0.12 0.00 1.43 0.00 0.00 31.44 31.39 1xmq n GLU 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xmq h ALA 52 N 2.47 0.01 -0.21 -1.84 0.00 -0.95 -3.01 119.26 115.73 1xmq h ALA 52 Ca 0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 54.91 54.18 1xmq h ALA 52 Cb 0.34 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xmq h ALA 52 CO 0.00 0.38 -0.25 -0.07 0.00 0.00 0.00 179.25 179.32 1xmq h LEU 53 N -0.18 0.58 -0.91 0.00 3.38 -1.03 -1.78 115.31 115.37 1xmq h LEU 53 Ca -0.11 -0.49 0.10 0.00 0.09 0.00 0.00 57.88 57.47 1xmq h LEU 53 Cb 1.48 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.94 1xmq h LEU 53 CO 0.14 0.96 -0.54 0.11 0.09 0.00 0.00 178.44 179.19 1xmq h LYS 54 N 0.21 -0.05 -0.47 1.13 1.57 -1.35 0.33 116.57 117.93 1xmq h LYS 54 Ca 0.03 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1xmq h LYS 54 Cb 0.81 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1xmq h LYS 54 CO 0.06 -0.04 0.10 0.82 -0.57 0.00 0.00 179.45 179.83 1xmq h ILE 55 N -0.06 1.24 -1.00 1.86 2.04 -1.54 -2.31 117.51 117.75 1xmq h ILE 55 Ca 0.19 -0.86 0.21 0.00 1.00 0.00 0.00 64.86 65.40 1xmq h ILE 55 Cb 0.47 0.89 -0.10 0.00 -0.74 0.00 0.00 36.82 37.34 1xmq h ILE 55 CO -0.90 0.30 0.62 -0.03 0.00 0.00 0.00 178.15 178.14 1xmq h MET 56 N 0.64 0.64 -0.58 2.37 4.05 0.06 0.32 114.93 122.43 1xmq h MET 56 Ca 0.15 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.47 1xmq h MET 56 Cb 0.34 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.98 1xmq h MET 56 CO 0.00 0.42 0.11 -0.09 0.23 0.00 0.00 176.91 177.59 1xmq h ARG 57 N 0.66 0.92 0.19 0.39 2.43 0.09 0.51 114.38 119.56 1xmq h ARG 57 Ca 0.57 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1xmq h ARG 57 Cb 1.04 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1xmq h ARG 57 CO -0.35 0.84 -0.09 0.87 -1.51 0.00 0.00 179.97 179.73 1xmq h LYS 58 N 0.87 -0.25 -0.63 0.20 1.57 -0.23 -2.03 116.57 116.07 1xmq h LYS 58 Ca 0.18 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.09 1xmq h LYS 58 Cb 0.36 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 32.60 1xmq h LYS 58 CO 0.00 0.11 -0.31 0.00 -0.57 0.00 0.00 179.45 178.68 1xmq h ALA 59 N 0.03 0.05 -0.11 3.86 0.00 -0.71 0.31 119.26 122.69 1xmq h ALA 59 Ca -0.03 0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1xmq h ALA 59 Cb 0.47 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1xmq h ALA 59 CO 0.04 -0.63 -0.52 1.49 0.00 0.00 0.00 179.25 179.63 1xmq h GLU 60 N -0.13 -0.56 -0.26 0.00 4.81 -0.78 -0.36 114.58 117.30 1xmq h GLU 60 Ca 0.25 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.56 1xmq h GLU 60 Cb 0.55 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 1xmq h GLU 60 CO -0.70 -0.38 -0.42 1.03 -0.73 0.00 0.00 179.01 177.81 1xmq h SER 61 N -0.58 -1.40 -0.75 1.04 0.87 -0.22 -1.10 113.55 111.41 1xmq h SER 61 Ca 0.04 0.18 0.17 0.00 -1.23 0.00 0.00 61.79 60.95 1xmq h SER 61 Cb 0.68 0.57 -0.13 0.00 -0.44 0.00 0.00 62.40 63.08 1xmq h SER 61 CO -0.41 -0.32 0.06 -0.07 -0.53 0.00 0.00 176.83 175.56 1xmq h LEU 62 N -0.34 -0.23 0.64 2.23 3.38 -0.09 0.36 115.31 121.26 1xmq h LEU 62 Ca 0.05 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1xmq h LEU 62 Cb 0.47 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1xmq h LEU 62 CO -0.42 -0.15 -0.40 0.40 0.09 0.00 0.00 178.44 177.96 1xmq h ILE 63 N 0.15 0.19 -0.62 1.22 2.04 -0.28 0.44 117.51 120.65 1xmq h ILE 63 Ca 0.42 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.40 1xmq h ILE 63 Cb 0.75 0.19 -0.09 0.00 -0.74 0.00 0.00 36.82 36.93 1xmq h ILE 63 CO -0.62 0.00 0.11 0.44 0.00 0.00 0.00 178.15 178.08 1xmq h ASP 64 N -0.98 -0.04 -0.85 1.72 3.32 -0.45 0.28 116.42 119.42 1xmq h ASP 64 Ca -0.08 0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.11 1xmq h ASP 64 Cb 0.80 0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 1xmq h ASP 64 CO 0.08 -0.02 0.56 0.11 -1.72 0.00 0.00 179.24 178.25 1xmq h LYS 65 N 0.24 1.09 -0.86 3.56 1.57 -0.60 -0.58 116.57 120.98 1xmq h LYS 65 Ca 0.33 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1xmq h LYS 65 Cb 0.51 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1xmq h LYS 65 CO -0.44 0.72 0.52 0.00 -0.57 0.00 0.00 179.45 179.68 1xmq h ALA 66 N 1.32 1.29 0.00 3.86 0.00 0.29 0.16 119.26 126.18 1xmq h ALA 66 Ca 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1xmq h ALA 66 Cb -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.35 1xmq h ALA 66 CO -0.08 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1xmq n ALA 67 N -2.41 2.50 0.19 0.00 0.00 0.67 -3.24 120.51 118.23 1xmq n ALA 67 Ca 0.09 -0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1xmq n ALA 67 Cb 0.06 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 1xmq n ALA 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xmq h LYS 68 N 0.00 -0.51 0.00 0.00 1.63 0.30 -3.40 116.57 114.59 1xmq h LYS 68 Ca 0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1xmq h LYS 68 Cb 0.00 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1xmq h LYS 68 CO 0.00 -0.23 0.00 0.41 -3.45 0.00 0.00 179.45 176.18 1xmq n GLY 69 N 0.09 0.98 1.63 5.01 0.00 -1.22 -4.98 105.19 106.70 1xmq n GLY 69 Ca -0.09 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 1xmq n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xmq n SER 70 N 0.00 3.76 0.00 1.61 3.41 -1.26 -4.56 113.62 116.57 1xmq n SER 70 Ca 0.00 -3.69 0.00 0.00 -0.26 0.00 0.00 58.87 54.92 1xmq n SER 70 Cb 0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1xmq n SER 70 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1xmq n THR 71 N -0.80 0.00 0.00 6.66 -1.04 -1.21 -4.74 114.28 113.15 1xmq n THR 71 Ca 0.34 0.49 0.00 0.00 -2.04 0.00 0.00 64.05 62.84 1xmq n THR 71 Cb 0.88 -1.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 1xmq n THR 71 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1xmq n LEU 72 N -1.80 1.42 -1.53 -4.42 4.77 -1.20 -5.02 117.00 109.22 1xmq n LEU 72 Ca 0.00 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1xmq n LEU 72 Cb 0.00 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1xmq n LEU 72 CO 0.00 -0.16 -0.41 1.57 -1.33 0.00 0.00 177.39 177.07 1xmq n HIS 73 N -1.23 -4.04 0.00 -1.77 -0.00 -1.26 -4.87 115.22 102.06 1xmq n HIS 73 Ca 0.00 2.12 0.00 0.00 0.46 0.00 0.00 57.72 60.30 1xmq n HIS 73 Cb 0.00 -3.32 0.00 0.00 -0.12 0.00 0.00 29.99 26.55 1xmq n HIS 73 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1xmq n LYS 74 N -0.09 0.00 0.00 1.57 5.02 -1.26 -4.04 118.16 119.36 1xmq n LYS 74 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1xmq n LYS 74 Cb 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.27 1xmq n LYS 74 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xmq n ASN 75 N 0.00 1.23 -0.05 4.39 3.02 -1.26 -3.69 115.26 118.91 1xmq n ASN 75 Ca 0.00 -1.00 -0.11 0.00 -0.03 0.00 0.00 54.58 53.44 1xmq n ASN 75 Cb 0.00 0.26 -0.05 0.00 -0.61 0.00 0.00 39.78 39.38 1xmq n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xmq h ALA 76 N 3.66 0.22 -0.07 5.41 0.00 -1.91 0.10 119.26 126.68 1xmq h ALA 76 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1xmq h ALA 76 Cb 0.57 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1xmq h ALA 76 CO 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 179.25 178.90 1xmq h ALA 77 N 0.89 -0.16 -0.96 0.00 0.00 -1.78 -2.02 119.26 115.23 1xmq h ALA 77 Ca 0.06 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1xmq h ALA 77 Cb 0.20 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1xmq h ALA 77 CO -0.00 -0.65 0.62 0.00 0.00 0.00 0.00 179.25 179.22 1xmq h ALA 78 N 0.73 1.52 0.56 0.00 0.00 -1.62 -1.10 119.26 119.35 1xmq h ALA 78 Ca 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1xmq h ALA 78 Cb 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xmq h ALA 78 CO -0.21 0.29 -0.28 0.00 0.00 0.00 0.00 179.25 179.05 1xmq h ARG 79 N 1.02 -0.74 -0.17 0.00 3.08 -0.24 -1.03 114.38 116.32 1xmq h ARG 79 Ca 0.44 0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.56 1xmq h ARG 79 Cb 0.34 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1xmq h ARG 79 CO -0.20 -0.49 -0.10 0.54 -1.07 0.00 0.00 179.97 178.65 1xmq n ARG 80 N -5.42 -0.07 -0.10 0.04 5.12 -0.68 0.32 116.66 115.86 1xmq n ARG 80 Ca -0.12 1.05 -0.09 0.00 -1.93 0.00 0.00 57.85 56.76 1xmq n ARG 80 Cb 0.32 -1.57 -0.03 0.00 -1.16 0.00 0.00 32.46 30.02 1xmq n ARG 80 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1xmq h LYS 81 N 0.00 -0.29 -0.15 5.56 1.57 -1.22 -0.45 116.57 121.60 1xmq h LYS 81 Ca 0.03 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1xmq h LYS 81 Cb 0.07 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 1xmq h LYS 81 CO -0.16 -0.19 -0.43 1.03 -0.57 0.00 0.00 179.45 179.13 1xmq h SER 82 N -0.30 -1.39 -0.54 0.86 0.87 0.32 0.34 113.55 113.72 1xmq h SER 82 Ca 0.15 0.17 0.16 0.00 -1.23 0.00 0.00 61.79 61.04 1xmq h SER 82 Cb 0.56 0.55 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 1xmq h SER 82 CO -0.52 -0.37 0.51 0.03 -0.53 0.00 0.00 176.83 175.94 1xmq h ARG 83 N -0.44 0.00 0.00 2.24 3.08 0.63 0.25 114.38 120.14 1xmq h ARG 83 Ca 0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1xmq h ARG 83 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 1xmq h ARG 83 CO -0.37 0.00 -0.13 1.25 -1.07 0.00 0.00 179.97 179.65 1xmq h LEU 84 N 0.00 0.00 0.00 3.04 6.46 0.79 -2.89 115.31 122.71 1xmq h LEU 84 Ca 0.26 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1xmq h LEU 84 Cb 1.27 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.20 1xmq h LEU 84 CO -0.00 0.73 0.00 0.23 -0.62 0.00 0.00 178.44 178.78 1xmq n MET 85 N -4.69 0.01 0.00 1.25 2.81 0.96 -1.18 117.12 116.29 1xmq n MET 85 Ca -0.06 0.38 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 1xmq n MET 85 Cb 0.21 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 1xmq n MET 85 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1xmq n ARG 86 N -1.43 0.00 -0.35 0.03 3.00 0.04 -3.63 116.66 114.32 1xmq n ARG 86 Ca 0.01 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.89 1xmq n ARG 86 Cb 0.03 -0.32 0.11 0.00 0.00 0.00 0.00 32.46 32.28 1xmq n ARG 86 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1xmq h LYS 87 N 0.00 -0.01 -0.68 -0.14 1.57 -1.31 0.14 116.57 116.14 1xmq h LYS 87 Ca 0.00 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1xmq h LYS 87 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 1xmq h LYS 87 CO 0.00 -0.00 0.27 0.28 -0.57 0.00 0.00 179.45 179.42 1xmq h VAL 88 N -0.01 0.73 -0.19 0.50 2.07 -1.37 0.47 116.25 118.45 1xmq h VAL 88 Ca 0.43 -0.15 -0.18 0.00 0.82 0.00 0.00 66.70 67.62 1xmq h VAL 88 Cb 0.67 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1xmq h VAL 88 CO -0.98 0.08 -0.60 -0.09 0.02 0.00 0.00 177.57 176.00 1xmq h ARG 89 N 0.44 0.64 -0.00 1.57 2.43 -0.85 -2.35 114.38 116.26 1xmq h ARG 89 Ca 0.36 -0.43 -0.17 0.00 -0.81 0.00 0.00 59.98 58.92 1xmq h ARG 89 Cb 0.48 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1xmq h ARG 89 CO -0.35 1.05 -0.80 1.96 -1.51 0.00 0.00 179.97 180.32 1xmq h GLN 90 N 0.48 0.08 0.00 0.20 4.20 -0.31 -3.04 115.11 116.72 1xmq h GLN 90 Ca -0.00 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 1xmq h GLN 90 Cb 1.18 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1xmq h GLN 90 CO 0.12 0.84 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.85 1xmq h LEU 91 N 0.05 0.00 -0.12 1.46 3.38 -0.10 -2.39 115.31 117.59 1xmq h LEU 91 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xmq h LEU 91 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1xmq h LEU 91 CO 0.11 0.20 0.00 0.18 0.09 0.00 0.00 178.44 179.02 1xmq n LEU 92 N -3.17 0.12 -3.82 1.67 4.77 -0.89 -3.80 117.00 111.88 1xmq n LEU 92 Ca 0.03 -0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.53 1xmq n LEU 92 Cb 0.58 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1xmq n LEU 92 CO 0.36 0.03 1.75 -0.62 -1.33 0.00 0.00 177.39 177.58 1xmq n GLU 93 N -0.44 4.17 -1.23 3.23 -0.58 -0.90 -3.00 120.64 121.89 1xmq n GLU 93 Ca 0.00 -3.90 -0.06 0.00 -0.42 0.00 0.00 57.16 52.78 1xmq n GLU 93 Cb 0.03 -2.72 -0.04 0.00 -0.57 0.00 0.00 31.44 28.13 1xmq n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xmq n ALA 94 N 2.49 3.59 -0.53 0.62 0.00 -1.25 -4.97 120.51 120.47 1xmq n ALA 94 Ca 0.40 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1xmq n ALA 94 Cb 0.33 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1xmq n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xmq n ALA 95 N -0.15 0.00 -0.38 0.00 0.00 -1.25 -4.89 120.51 113.84 1xmq n ALA 95 Ca -0.25 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.16 1xmq n ALA 95 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.20 1xmq n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xmq n GLY 96 N -2.00 -2.13 2.44 0.00 0.00 -1.16 -4.92 105.19 97.41 1xmq n GLY 96 Ca 0.00 1.10 -0.02 0.00 0.00 0.00 0.00 46.02 47.10 1xmq n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmq n ALA 97 N -3.43 -3.26 -1.50 4.61 0.00 -1.26 -4.65 120.51 111.02 1xmq n ALA 97 Ca 0.08 0.54 -0.30 0.00 0.00 0.00 0.00 53.44 53.75 1xmq n ALA 97 Cb 0.35 -1.42 -0.18 0.00 0.00 0.00 0.00 19.45 18.19 1xmq n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xmq n PRO 98 N 0.25 0.05 0.00 0.00 -0.04 -1.26 -4.87 135.00 129.12 1xmq n PRO 98 Ca 0.03 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1xmq n PRO 98 Cb 0.11 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1xmq n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xmq n LEU 99 N 8.45 0.00 0.10 1.53 4.77 -1.26 -3.40 117.00 127.20 1xmq n LEU 99 Ca 0.66 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.82 1xmq n LEU 99 Cb 0.11 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 41.82 1xmq n LEU 99 CO 1.00 0.00 1.17 0.40 -1.33 0.00 0.00 177.39 178.63 1xmq h ILE 100 N 0.00 0.16 -3.19 -0.08 2.04 -1.86 -3.42 117.51 111.16 1xmq h ILE 100 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 1xmq h ILE 100 Cb 0.00 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1xmq h ILE 100 CO 0.00 0.00 -0.07 0.61 0.00 0.00 0.00 178.15 178.69 1xmq n GLY 101 N -1.48 -0.07 0.00 5.37 0.00 -1.22 -4.80 105.19 103.00 1xmq n GLY 101 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1xmq n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmq n GLY 102 N -0.31 -2.59 0.16 -0.02 0.00 -1.26 -3.95 105.19 97.22 1xmq n GLY 102 Ca -0.04 0.48 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 1xmq n GLY 102 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xmq h GLY 103 N 0.00 -0.32 -4.20 -0.02 0.00 -1.87 -3.45 103.07 93.23 1xmq h GLY 103 Ca 0.00 0.12 -0.54 0.00 0.00 0.00 0.00 47.33 46.91 1xmq h GLY 103 CO 0.00 -0.12 0.82 1.04 0.00 0.00 0.00 176.54 178.29 1xmq n LEU 104 N -5.03 4.45 -3.77 3.11 4.77 -1.25 -4.91 117.00 114.37 1xmq n LEU 104 Ca -0.09 1.18 -0.39 0.00 -0.03 0.00 0.00 56.01 56.68 1xmq n LEU 104 Cb 0.26 -1.60 -0.00 0.00 -2.33 0.00 0.00 43.42 39.75 1xmq n LEU 104 CO 0.29 0.12 1.02 -1.54 -1.33 0.00 0.00 177.39 175.94 1xmq n SER 105 N 1.50 6.21 0.00 -1.43 3.41 -1.26 -4.84 113.62 117.21 1xmq n SER 105 Ca 0.06 -3.51 0.08 0.00 -0.26 0.00 0.00 58.87 55.24 1xmq n SER 105 Cb 0.37 -1.12 0.46 0.00 -0.26 0.00 0.00 64.21 63.66 1xmq n SER 105 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88