#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxq h ALA 5 N 0.00 0.70 -3.41 -1.67 0.00 -1.99 -3.42 119.26 109.48 2dxq h ALA 5 Ca 0.00 -0.64 -0.49 0.00 0.00 0.00 0.00 54.91 53.78 2dxq h ALA 5 Cb 0.00 -0.09 -0.34 0.00 0.00 0.00 0.00 17.79 17.36 2dxq h ALA 5 CO 0.00 0.84 -0.80 0.42 0.00 0.00 0.00 179.25 179.71 2dxq s ILE 6 N -3.44 0.96 0.25 0.00 1.01 -1.26 -0.03 121.20 118.68 2dxq s ILE 6 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2dxq s ILE 6 Cb 0.11 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 2dxq s ILE 6 CO 0.81 0.32 0.21 -0.55 0.00 0.00 0.00 174.94 175.73 2dxq s SER 7 N 0.83 0.59 -0.11 3.58 0.15 -0.62 -4.98 113.70 113.14 2dxq s SER 7 Ca -0.12 -1.46 -0.05 0.00 0.70 0.00 0.00 55.95 55.02 2dxq s SER 7 Cb -0.15 0.46 0.05 0.00 -1.71 0.00 0.00 66.02 64.67 2dxq s SER 7 CO 0.02 -0.95 0.26 -0.22 1.20 0.00 0.00 173.24 173.55 2dxq s LEU 8 N -3.21 0.19 0.23 3.45 2.96 -1.26 -0.59 118.68 120.44 2dxq s LEU 8 Ca 0.38 0.56 -0.22 0.00 -0.22 0.00 0.00 54.13 54.62 2dxq s LEU 8 Cb 0.05 0.75 0.04 0.00 0.50 0.00 0.00 46.19 47.52 2dxq s LEU 8 CO 0.17 -0.19 0.76 0.00 -1.32 0.00 0.00 176.35 175.76 2dxq s ARG 9 N 1.60 1.58 0.45 1.98 1.70 -0.81 -5.02 118.95 120.42 2dxq s ARG 9 Ca -0.06 -0.84 -0.23 0.00 -0.47 0.00 0.00 55.73 54.13 2dxq s ARG 9 Cb -0.11 0.56 -0.08 0.00 -0.57 0.00 0.00 34.95 34.76 2dxq s ARG 9 CO -0.09 -0.72 1.14 0.00 -1.08 0.00 0.00 175.30 174.55 2dxq s ALA 10 N -3.75 2.98 0.63 7.88 0.00 -1.26 -0.89 121.76 127.36 2dxq s ALA 10 Ca 0.10 0.87 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 2dxq s ALA 10 Cb -0.04 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 2dxq s ALA 10 CO 0.03 -0.56 1.08 0.00 0.00 0.00 0.00 175.76 176.31 2dxq s ALA 11 N -1.59 2.62 0.00 0.00 0.00 0.11 -4.82 121.76 118.09 2dxq s ALA 11 Ca 0.63 0.41 0.00 0.00 0.00 0.00 0.00 51.96 53.00 2dxq s ALA 11 Cb -0.27 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2dxq s ALA 11 CO 0.33 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.45 2dxq n GLY 12 N -0.92 3.37 0.21 0.00 0.00 -1.26 -4.85 105.19 101.73 2dxq n GLY 12 Ca 0.09 -1.40 -0.05 0.00 0.00 0.00 0.00 46.02 44.66 2dxq n GLY 12 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dxq n PRO 13 N 0.00 -0.22 0.00 1.61 -0.02 -1.26 -1.25 135.00 133.86 2dxq n PRO 13 Ca 0.00 1.20 0.04 0.00 -2.02 0.00 0.00 63.50 62.72 2dxq n PRO 13 Cb 0.00 -1.78 0.23 0.00 -0.02 0.00 0.00 33.50 31.93 2dxq n PRO 13 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dxq n GLY 14 N -1.12 -0.47 0.10 -1.23 0.00 -1.26 -3.08 105.19 98.12 2dxq n GLY 14 Ca 0.01 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.12 2dxq n GLY 14 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dxq n ASP 15 N -1.19 0.51 -0.02 1.61 8.00 -0.38 -4.41 116.55 120.67 2dxq n ASP 15 Ca 0.05 -0.40 -0.10 0.00 0.71 0.00 0.00 54.79 55.06 2dxq n ASP 15 Cb 0.06 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.09 2dxq n ASP 15 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2dxq h LEU 16 N 0.47 0.01 -0.58 0.64 5.85 -1.71 -1.11 115.31 118.88 2dxq h LEU 16 Ca 0.00 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.83 2dxq h LEU 16 Cb 0.44 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 2dxq h LEU 16 CO 0.00 0.03 0.21 -0.65 -0.34 0.00 0.00 178.44 177.69 2dxq h PRO 17 N 0.10 0.37 -0.74 5.25 0.11 -1.89 -0.36 132.00 134.84 2dxq h PRO 17 Ca 0.07 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 2dxq h PRO 17 Cb 0.06 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 2dxq h PRO 17 CO -0.09 0.25 0.24 0.78 -0.21 0.00 0.00 178.00 178.97 2dxq h GLY 18 N 0.38 1.22 1.00 -0.55 0.00 -1.76 -2.10 103.07 101.26 2dxq h GLY 18 Ca 0.29 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 2dxq h GLY 18 CO -0.30 0.67 0.18 1.41 0.00 0.00 0.00 176.54 178.49 2dxq h LEU 19 N 1.08 0.83 -1.01 3.11 3.38 -0.88 -2.43 115.31 119.39 2dxq h LEU 19 Ca 0.24 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2dxq h LEU 19 Cb 0.29 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2dxq h LEU 19 CO -0.01 0.81 0.43 -0.07 0.09 0.00 0.00 178.44 179.69 2dxq h LEU 20 N 0.80 1.01 -0.83 1.67 3.38 -0.79 -0.73 115.31 119.82 2dxq h LEU 20 Ca 0.18 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2dxq h LEU 20 Cb 0.28 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2dxq h LEU 20 CO -0.01 0.82 0.53 -0.33 0.09 0.00 0.00 178.44 179.54 2dxq h GLU 21 N 1.13 1.10 -0.51 1.13 5.08 -1.15 -0.53 114.58 120.82 2dxq h GLU 21 Ca 0.28 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2dxq h GLU 21 Cb 0.04 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2dxq h GLU 21 CO -0.04 0.74 0.20 -0.07 -1.00 0.00 0.00 179.01 178.84 2dxq h LEU 22 N 1.12 0.71 -1.23 1.33 3.38 -0.92 -2.23 115.31 117.48 2dxq h LEU 22 Ca 0.30 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2dxq h LEU 22 Cb -0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2dxq h LEU 22 CO -0.06 0.69 -0.21 1.88 0.09 0.00 0.00 178.44 180.83 2dxq h TYR 23 N 0.69 0.00 -0.19 1.13 0.05 -0.77 -0.73 116.97 117.16 2dxq h TYR 23 Ca 0.17 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.82 2dxq h TYR 23 Cb 0.21 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 2dxq h TYR 23 CO 0.01 0.21 -0.45 1.96 -1.05 0.00 0.00 178.16 178.84 2dxq h GLN 24 N 0.00 0.46 -0.28 4.88 4.20 -0.85 -1.94 115.11 121.58 2dxq h GLN 24 Ca -0.00 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 2dxq h GLN 24 Cb 0.69 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 2dxq h GLN 24 CO 0.03 0.82 0.09 0.28 -0.67 0.00 0.00 178.83 179.37 2dxq h VAL 25 N 0.37 1.20 -0.07 -0.54 2.07 -0.69 -2.77 116.25 115.82 2dxq h VAL 25 Ca 0.03 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 66.95 2dxq h VAL 25 Cb 0.93 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2dxq h VAL 25 CO 0.08 0.21 -0.24 0.25 0.02 0.00 0.00 177.57 177.90 2dxq h LEU 26 N 0.28 -0.71 -7.03 2.57 5.85 -1.06 -3.35 115.31 111.86 2dxq h LEU 26 Ca 0.09 0.11 -0.62 0.00 0.84 0.00 0.00 57.88 58.30 2dxq h LEU 26 Cb 0.24 0.31 -0.41 0.00 0.37 0.00 0.00 40.66 41.17 2dxq h LEU 26 CO -0.00 -0.29 -0.68 0.20 -0.34 0.00 0.00 178.44 177.32 2dxq s ASN 27 N -4.95 3.96 0.61 1.25 0.01 -0.74 -4.99 114.94 110.09 2dxq s ASN 27 Ca -0.15 -3.26 0.41 0.00 -0.71 0.00 0.00 52.86 49.14 2dxq s ASN 27 Cb 0.10 -1.33 2.21 0.00 0.41 0.00 0.00 41.25 42.64 2dxq s ASN 27 CO 0.67 -0.17 2.25 1.55 -1.51 0.00 0.00 177.10 179.88 2dxq h PRO 28 N 6.00 0.00 -0.01 -0.60 0.13 -1.64 -1.31 132.00 134.58 2dxq h PRO 28 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2dxq h PRO 28 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2dxq h PRO 28 CO 0.61 0.00 -0.35 -1.13 -0.23 0.00 0.00 178.00 176.90 2dxq n SER 29 N -2.93 0.95 -4.77 1.44 3.41 -1.26 -4.92 113.62 105.55 2dxq n SER 29 Ca -0.03 -0.77 -0.36 0.00 -0.26 0.00 0.00 58.87 57.45 2dxq n SER 29 Cb 0.06 0.21 0.01 0.00 -0.26 0.00 0.00 64.21 64.23 2dxq n SER 29 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2dxq s ASP 30 N -2.64 5.66 0.59 4.04 1.01 -0.49 -4.99 116.67 119.84 2dxq s ASP 30 Ca 0.20 2.31 -0.19 0.00 0.71 0.00 0.00 52.55 55.58 2dxq s ASP 30 Cb 0.19 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 2dxq s ASP 30 CO 0.58 -1.27 1.24 -2.16 0.21 0.00 0.00 175.17 173.77 2dxq s PRO 31 N -3.12 2.98 -0.88 8.23 0.04 -1.26 -4.92 135.00 136.07 2dxq s PRO 31 Ca 0.72 1.92 -0.19 0.00 0.04 0.00 0.00 61.00 63.49 2dxq s PRO 31 Cb -0.28 -1.99 0.12 0.00 0.04 0.00 0.00 34.50 32.39 2dxq s PRO 31 CO 0.32 -1.23 1.08 -1.21 0.04 0.00 0.00 177.00 176.00 2dxq s GLU 32 N -3.23 3.51 0.31 4.56 2.02 -1.26 -5.00 118.70 119.61 2dxq s GLU 32 Ca 0.77 -1.63 -0.29 0.00 0.02 0.00 0.00 54.97 53.83 2dxq s GLU 32 Cb -0.33 -4.79 -0.11 0.00 0.10 0.00 0.00 34.13 29.01 2dxq s GLU 32 CO 0.36 -1.76 1.47 -0.51 0.02 0.00 0.00 175.26 174.85 2dxq s LEU 33 N 2.81 4.36 0.67 1.80 1.43 -1.26 -5.02 118.68 123.48 2dxq s LEU 33 Ca 0.30 2.86 -0.11 0.00 -1.03 0.00 0.00 54.13 56.15 2dxq s LEU 33 Cb -0.07 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.50 2dxq s LEU 33 CO -0.06 -0.78 1.07 0.42 0.23 0.00 0.00 176.35 177.22 2dxq s THR 34 N -0.51 3.82 0.34 5.49 -4.23 -1.26 -4.90 115.64 114.39 2dxq s THR 34 Ca 0.57 0.55 0.06 0.00 -1.18 0.00 0.00 61.69 61.69 2dxq s THR 34 Cb -0.44 -3.58 0.31 0.00 1.34 0.00 0.00 72.50 70.12 2dxq s THR 34 CO 0.52 -0.75 1.89 0.74 -0.54 0.00 0.00 174.62 176.47 2dxq h THR 35 N -0.53 0.91 -0.16 3.99 2.02 -1.95 -1.01 112.91 116.18 2dxq h THR 35 Ca -0.45 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 2dxq h THR 35 Cb 1.24 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2dxq h THR 35 CO 0.63 0.14 0.01 1.56 0.37 0.00 0.00 175.52 178.23 2dxq h GLN 36 N 0.79 0.27 -0.24 6.66 7.50 -2.00 -1.73 115.11 126.35 2dxq h GLN 36 Ca 0.42 -0.08 -0.01 0.00 0.50 0.00 0.00 58.65 59.47 2dxq h GLN 36 Cb 0.53 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.03 2dxq h GLN 36 CO -0.18 0.48 0.10 0.93 -1.50 0.00 0.00 178.83 178.66 2dxq h GLU 37 N 0.03 0.34 -0.00 1.46 5.08 -1.81 -2.86 114.58 116.81 2dxq h GLU 37 Ca 0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2dxq h GLU 37 Cb 0.36 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2dxq h GLU 37 CO 0.01 0.28 -0.41 0.00 -1.00 0.00 0.00 179.01 177.89 2dxq n ALA 38 N -2.50 3.41 -0.20 3.43 0.00 -0.43 -4.52 120.51 119.70 2dxq n ALA 38 Ca 0.01 -0.42 -0.07 0.00 0.00 0.00 0.00 53.44 52.95 2dxq n ALA 38 Cb 0.12 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.52 2dxq n ALA 38 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2dxq h GLY 39 N 4.95 0.87 0.80 0.00 0.00 -1.07 -1.22 103.07 107.40 2dxq h GLY 39 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2dxq h GLY 39 CO 0.00 0.41 0.02 0.00 0.00 0.00 0.00 176.54 176.97 2dxq h ALA 40 N 1.10 0.09 -0.58 3.60 0.00 -1.79 -0.85 119.26 120.83 2dxq h ALA 40 Ca 0.19 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2dxq h ALA 40 Cb 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2dxq h ALA 40 CO -0.02 -0.28 0.10 0.28 0.00 0.00 0.00 179.25 179.33 2dxq h VAL 41 N -0.10 1.26 -0.63 0.00 2.07 -1.84 -1.99 116.25 115.01 2dxq h VAL 41 Ca 0.02 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.62 2dxq h VAL 41 Cb 0.25 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 2dxq h VAL 41 CO 0.00 0.36 0.36 0.15 0.02 0.00 0.00 177.57 178.46 2dxq h PHE 42 N 0.86 0.66 -0.77 1.57 3.57 -1.10 -2.15 116.94 119.58 2dxq h PHE 42 Ca 0.18 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2dxq h PHE 42 Cb 0.41 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 2dxq h PHE 42 CO 0.03 0.34 0.45 0.00 -2.23 0.00 0.00 178.31 176.89 2dxq h ALA 43 N 1.31 0.98 0.00 2.41 0.00 -0.99 -0.44 119.26 122.54 2dxq h ALA 43 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dxq h ALA 43 Cb 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2dxq h ALA 43 CO -0.16 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.56 2dxq n ALA 44 N -2.35 1.39 0.00 0.00 0.00 -0.76 -1.46 120.51 117.32 2dxq n ALA 44 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2dxq n ALA 44 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2dxq n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dxq n LEU 46 N 0.75 0.00 0.06 0.00 4.77 -0.17 -1.45 117.00 120.96 2dxq n LEU 46 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2dxq n LEU 46 Cb 0.03 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.39 2dxq n LEU 46 CO 0.00 0.00 0.53 0.00 -1.33 0.00 0.00 177.39 176.59 2dxq n ALA 47 N 0.00 2.81 -2.31 -1.18 0.00 -0.54 -4.90 120.51 114.39 2dxq n ALA 47 Ca 0.00 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 2dxq n ALA 47 Cb 0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 2dxq n ALA 47 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2dxq s GLN 48 N -3.12 4.06 0.13 0.00 2.00 -0.53 -4.95 119.66 117.27 2dxq s GLN 48 Ca 0.08 1.63 -0.34 0.00 -2.00 0.00 0.00 55.36 54.73 2dxq s GLN 48 Cb 0.14 -3.87 -0.14 0.00 0.80 0.00 0.00 33.01 29.94 2dxq s GLN 48 CO 0.68 -0.94 1.62 -2.30 -0.50 0.00 0.00 175.29 173.85 2dxq n PRO 49 N 7.05 2.18 -0.95 1.67 -0.02 -1.26 -2.09 135.00 141.57 2dxq n PRO 49 Ca 0.15 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 2dxq n PRO 49 Cb 0.45 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 2dxq n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dxq n GLY 50 N 3.56 0.88 3.64 -1.23 0.00 -1.26 -4.85 105.19 105.93 2dxq n GLY 50 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2dxq n GLY 50 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dxq s LEU 51 N 0.00 3.85 -0.04 0.99 0.20 -0.89 -0.09 118.68 122.70 2dxq s LEU 51 Ca 0.00 0.09 0.01 0.00 0.69 0.00 0.00 54.13 54.91 2dxq s LEU 51 Cb 0.00 -1.98 0.02 0.00 -0.43 0.00 0.00 46.19 43.80 2dxq s LEU 51 CO 0.00 0.16 -0.02 -0.89 -0.29 0.00 0.00 176.35 175.31 2dxq s THR 52 N 0.43 0.36 -0.24 3.68 2.01 -0.41 -4.83 115.64 116.65 2dxq s THR 52 Ca 0.04 -0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.88 2dxq s THR 52 Cb -0.12 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 2dxq s THR 52 CO 0.00 0.19 0.39 -0.63 -0.69 0.00 0.00 174.62 173.89 2dxq s ILE 53 N 1.07 5.18 -0.03 1.82 1.01 -1.26 -0.28 121.20 128.70 2dxq s ILE 53 Ca -0.09 0.65 -0.02 0.00 0.00 0.00 0.00 60.65 61.19 2dxq s ILE 53 Cb -0.14 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2dxq s ILE 53 CO -0.01 0.19 0.11 -0.36 0.00 0.00 0.00 174.94 174.87 2dxq s PHE 54 N 1.75 3.39 0.01 3.97 0.08 0.15 0.07 117.98 127.41 2dxq s PHE 54 Ca 0.17 0.30 0.05 0.00 0.12 0.00 0.00 56.93 57.57 2dxq s PHE 54 Cb -0.15 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 2dxq s PHE 54 CO 0.09 0.60 -0.16 0.14 -0.10 0.00 0.00 175.22 175.78 2dxq s VAL 55 N -1.17 1.31 -0.09 -0.44 -7.23 -0.07 -2.11 120.40 110.60 2dxq s VAL 55 Ca 0.22 -0.86 -0.11 0.00 -1.81 0.00 0.00 61.98 59.41 2dxq s VAL 55 Cb -0.12 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 2dxq s VAL 55 CO 0.12 0.24 0.26 0.00 -0.31 0.00 0.00 175.10 175.41 2dxq s ALA 56 N -0.57 3.76 0.09 1.32 0.00 -0.55 -1.93 121.76 123.87 2dxq s ALA 56 Ca 0.05 -0.47 0.09 0.00 0.00 0.00 0.00 51.96 51.64 2dxq s ALA 56 Cb -0.07 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 2dxq s ALA 56 CO 0.00 0.46 -0.24 0.95 0.00 0.00 0.00 175.76 176.94 2dxq s THR 57 N -0.73 1.95 -0.13 0.00 -4.23 0.24 -0.42 115.64 112.32 2dxq s THR 57 Ca 0.18 -1.50 -0.00 0.00 -1.18 0.00 0.00 61.69 59.19 2dxq s THR 57 Cb -0.14 -1.72 0.03 0.00 1.34 0.00 0.00 72.50 72.01 2dxq s THR 57 CO 0.07 0.13 -0.09 -0.70 -0.54 0.00 0.00 174.62 173.50 2dxq s GLU 58 N -1.65 1.68 -1.43 3.99 2.12 0.27 -1.58 118.70 122.10 2dxq s GLU 58 Ca 0.10 -0.38 -0.11 0.00 0.36 0.00 0.00 54.97 54.94 2dxq s GLU 58 Cb -0.10 -1.79 0.08 0.00 0.26 0.00 0.00 34.13 32.58 2dxq s GLU 58 CO 0.04 -0.29 0.68 0.09 -0.54 0.00 0.00 175.26 175.23 2dxq n ASN 59 N 4.89 -4.22 0.00 -1.70 5.03 0.96 -1.30 115.26 118.91 2dxq n ASN 59 Ca -0.13 -0.57 0.00 0.00 0.87 0.00 0.00 54.58 54.75 2dxq n ASN 59 Cb 0.49 -3.44 0.00 0.00 -1.02 0.00 0.00 39.78 35.82 2dxq n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2dxq n GLY 60 N -1.38 2.70 3.70 7.41 0.00 -1.26 -5.02 105.19 111.33 2dxq n GLY 60 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2dxq n GLY 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dxq s LYS 61 N -0.14 4.38 0.13 1.61 2.20 -0.42 -4.96 119.74 122.54 2dxq s LYS 61 Ca 0.00 0.93 -0.32 0.00 -0.36 0.00 0.00 55.97 56.22 2dxq s LYS 61 Cb 0.00 -3.50 -0.11 0.00 -1.51 0.00 0.00 37.83 32.71 2dxq s LYS 61 CO 0.00 -0.09 1.80 -2.30 -0.36 0.00 0.00 175.35 174.40 2dxq n PRO 62 N 4.34 2.70 0.00 4.03 -0.02 -1.26 -0.56 135.00 144.22 2dxq n PRO 62 Ca 0.01 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 2dxq n PRO 62 Cb 0.50 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 2dxq n PRO 62 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2dxq n VAL 63 N 4.48 0.00 -3.66 -1.45 0.24 0.44 -4.91 118.33 113.47 2dxq n VAL 63 Ca 0.18 -0.39 -0.11 0.00 -2.04 0.00 0.00 64.34 61.98 2dxq n VAL 63 Cb 0.36 0.92 -0.05 0.00 -1.47 0.00 0.00 33.84 33.59 2dxq n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dxq s ALA 64 N -1.06 -0.88 0.04 2.33 0.00 -1.18 -4.08 121.76 116.93 2dxq s ALA 64 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.77 2dxq s ALA 64 Cb 0.00 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.74 2dxq s ALA 64 CO 0.00 -0.58 0.39 -0.08 0.00 0.00 0.00 175.76 175.48 2dxq s THR 65 N -3.49 0.06 -0.09 0.00 -1.32 -0.75 -1.48 115.64 108.57 2dxq s THR 65 Ca 0.01 -0.51 -0.16 0.00 -1.21 0.00 0.00 61.69 59.83 2dxq s THR 65 Cb 0.01 -0.94 0.04 0.00 -1.51 0.00 0.00 72.50 70.10 2dxq s THR 65 CO -0.10 -0.28 0.39 0.00 -2.21 0.00 0.00 174.62 172.42 2dxq s ALA 66 N -2.45 -0.98 -0.15 11.08 0.00 -0.90 -1.68 121.76 126.68 2dxq s ALA 66 Ca -0.05 0.84 -0.04 0.00 0.00 0.00 0.00 51.96 52.71 2dxq s ALA 66 Cb -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2dxq s ALA 66 CO -0.02 -0.23 -0.04 0.99 0.00 0.00 0.00 175.76 176.45 2dxq s THR 67 N -0.50 3.86 -0.16 0.00 2.01 0.06 -0.67 115.64 120.23 2dxq s THR 67 Ca -0.06 -0.37 -0.07 0.00 0.31 0.00 0.00 61.69 61.50 2dxq s THR 67 Cb -0.04 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 2dxq s THR 67 CO 0.03 0.49 0.08 -0.22 -0.69 0.00 0.00 174.62 174.31 2dxq s LEU 68 N 0.36 3.96 -0.25 4.42 2.96 0.62 -0.69 118.68 130.06 2dxq s LEU 68 Ca -0.04 0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 2dxq s LEU 68 Cb -0.14 -1.99 0.06 0.00 0.50 0.00 0.00 46.19 44.62 2dxq s LEU 68 CO 0.03 0.24 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.44 2dxq s LEU 69 N -0.03 3.13 -0.18 -0.68 1.43 -0.01 -1.28 118.68 121.06 2dxq s LEU 69 Ca 0.07 -1.29 -0.09 0.00 -1.03 0.00 0.00 54.13 51.79 2dxq s LEU 69 Cb -0.12 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 2dxq s LEU 69 CO 0.01 -0.19 0.11 -0.63 0.23 0.00 0.00 176.35 175.87 2dxq s ILE 70 N 1.19 5.20 -0.10 -0.59 1.01 0.87 -1.20 121.20 127.58 2dxq s ILE 70 Ca -0.07 0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.72 2dxq s ILE 70 Cb -0.19 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 38.94 2dxq s ILE 70 CO -0.06 0.47 -0.19 -0.69 0.00 0.00 0.00 174.94 174.47 2dxq s VAL 71 N 0.19 1.71 0.52 2.92 1.01 0.25 -4.56 120.40 122.44 2dxq s VAL 71 Ca 0.07 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 2dxq s VAL 71 Cb -0.12 -1.51 -0.06 0.00 0.00 0.00 0.00 36.38 34.69 2dxq s VAL 71 CO -0.01 0.48 1.17 -2.16 0.00 0.00 0.00 175.10 174.58 2dxq s PRO 72 N 0.64 3.44 -0.23 2.72 0.04 -1.26 -2.25 135.00 138.10 2dxq s PRO 72 Ca -0.13 1.74 -0.25 0.00 0.04 0.00 0.00 61.00 62.40 2dxq s PRO 72 Cb -0.16 -2.16 0.07 0.00 0.04 0.00 0.00 34.50 32.28 2dxq s PRO 72 CO 0.04 -0.81 0.69 1.21 0.04 0.00 0.00 177.00 178.18 2dxq s ASN 73 N -1.54 -0.71 0.00 6.66 2.47 -1.26 -4.89 114.94 115.67 2dxq s ASN 73 Ca 0.70 1.30 0.22 0.00 0.42 0.00 0.00 52.86 55.50 2dxq s ASN 73 Cb -0.28 1.30 -0.22 0.00 -1.45 0.00 0.00 41.25 40.60 2dxq s ASN 73 CO 0.32 -0.30 0.74 0.18 -3.72 0.00 0.00 177.10 174.32 2dxq n LEU 74 N 2.44 0.46 -4.84 3.21 4.77 -1.26 -3.46 117.00 118.32 2dxq n LEU 74 Ca -0.15 -0.15 -0.29 0.00 -0.03 0.00 0.00 56.01 55.39 2dxq n LEU 74 Cb 0.55 -0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.73 2dxq n LEU 74 CO 0.07 0.08 0.75 0.42 -1.33 0.00 0.00 177.39 177.37 2dxq s THR 75 N -3.29 2.21 -1.24 -5.08 -4.23 -1.26 -2.76 115.64 100.00 2dxq s THR 75 Ca -0.00 0.07 -0.16 0.00 -1.18 0.00 0.00 61.69 60.42 2dxq s THR 75 Cb 0.15 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 71.06 2dxq s THR 75 CO 0.87 -0.09 0.65 0.54 -0.54 0.00 0.00 174.62 176.05 2dxq n ARG 76 N -3.51 -1.75 -2.67 3.99 5.12 -1.26 -1.20 116.66 115.38 2dxq n ARG 76 Ca 0.07 0.38 -0.18 0.00 -1.93 0.00 0.00 57.85 56.19 2dxq n ARG 76 Cb 0.59 -4.02 0.02 0.00 -1.16 0.00 0.00 32.46 27.89 2dxq n ARG 76 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dxq n ALA 77 N -4.38 -0.68 -3.43 7.54 0.00 -1.26 -2.87 120.51 115.42 2dxq n ALA 77 Ca -0.17 0.20 -0.24 0.00 0.00 0.00 0.00 53.44 53.23 2dxq n ALA 77 Cb 0.62 -2.76 0.05 0.00 0.00 0.00 0.00 19.45 17.36 2dxq n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dxq n ALA 78 N -2.70 -1.16 -2.57 0.00 0.00 -0.34 -4.99 120.51 108.75 2dxq n ALA 78 Ca -0.14 0.30 -0.38 0.00 0.00 0.00 0.00 53.44 53.23 2dxq n ALA 78 Cb 0.62 -4.55 -0.06 0.00 0.00 0.00 0.00 19.45 15.46 2dxq n ALA 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dxq s ARG 79 N -6.13 3.83 0.93 0.00 0.52 -1.02 -4.68 118.95 112.41 2dxq s ARG 79 Ca 0.49 0.31 -0.12 0.00 -0.52 0.00 0.00 55.73 55.89 2dxq s ARG 79 Cb -0.22 -3.22 0.15 0.00 0.52 0.00 0.00 34.95 32.18 2dxq s ARG 79 CO 0.60 0.71 1.09 -1.25 0.02 0.00 0.00 175.30 176.47 2dxq s PRO 80 N -1.06 0.98 0.30 3.54 0.04 -1.26 -4.47 135.00 133.08 2dxq s PRO 80 Ca 0.22 0.79 0.03 0.00 0.04 0.00 0.00 61.00 62.08 2dxq s PRO 80 Cb -0.16 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2dxq s PRO 80 CO 0.12 -2.42 0.07 1.52 0.04 0.00 0.00 177.00 176.33 2dxq s TYR 81 N -2.90 1.81 0.04 0.56 1.13 -0.95 -1.76 117.35 115.27 2dxq s TYR 81 Ca 0.64 -1.04 0.00 0.00 -1.41 0.00 0.00 57.07 55.26 2dxq s TYR 81 Cb -0.19 -1.14 -0.03 0.00 -1.10 0.00 0.00 41.96 39.50 2dxq s TYR 81 CO 0.57 -0.12 -0.05 0.00 -2.51 0.00 0.00 175.55 173.45 2dxq s ALA 82 N -3.47 0.45 0.18 9.51 0.00 -0.82 -0.59 121.76 127.02 2dxq s ALA 82 Ca 0.37 -0.91 0.10 0.00 0.00 0.00 0.00 51.96 51.52 2dxq s ALA 82 Cb 0.08 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 2dxq s ALA 82 CO 0.15 -0.20 -0.18 -0.06 0.00 0.00 0.00 175.76 175.47 2dxq s PHE 83 N -2.46 2.45 -0.10 0.00 0.08 -0.34 -4.25 117.98 113.37 2dxq s PHE 83 Ca -0.04 -0.30 0.03 0.00 0.12 0.00 0.00 56.93 56.74 2dxq s PHE 83 Cb -0.03 -1.22 -0.01 0.00 -0.57 0.00 0.00 43.02 41.20 2dxq s PHE 83 CO -0.04 0.49 -0.20 0.42 -0.10 0.00 0.00 175.22 175.79 2dxq s ILE 84 N -1.62 2.42 0.18 0.64 1.01 -1.26 -0.83 121.20 121.74 2dxq s ILE 84 Ca 0.22 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.99 2dxq s ILE 84 Cb -0.09 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 2dxq s ILE 84 CO 0.12 0.55 0.01 -1.61 0.00 0.00 0.00 174.94 174.01 2dxq s GLU 85 N 0.22 1.14 -1.29 2.79 0.41 0.13 -4.54 118.70 117.57 2dxq s GLU 85 Ca -0.13 -1.56 -0.13 0.00 -0.41 0.00 0.00 54.97 52.74 2dxq s GLU 85 Cb -0.16 -0.27 0.00 0.00 -1.78 0.00 0.00 34.13 31.92 2dxq s GLU 85 CO 0.07 -0.15 0.56 0.09 -0.49 0.00 0.00 175.26 175.35 2dxq n ASN 86 N -0.27 -2.59 -4.69 -0.19 3.02 -1.26 -0.76 115.26 108.51 2dxq n ASN 86 Ca -0.06 -1.07 -0.41 0.00 -0.03 0.00 0.00 54.58 53.01 2dxq n ASN 86 Cb 0.63 -2.87 -0.04 0.00 -0.61 0.00 0.00 39.78 36.89 2dxq n ASN 86 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2dxq s VAL 87 N -3.75 4.94 -0.02 2.41 1.01 -1.26 -4.22 120.40 119.51 2dxq s VAL 87 Ca 0.25 1.65 -0.04 0.00 0.00 0.00 0.00 61.98 63.84 2dxq s VAL 87 Cb -0.10 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2dxq s VAL 87 CO 0.90 0.13 0.09 0.54 0.00 0.00 0.00 175.10 176.76 2dxq s VAL 88 N 1.44 0.03 0.38 2.92 0.11 -0.68 -5.00 120.40 119.60 2dxq s VAL 88 Ca 0.41 -0.22 0.04 0.00 -2.93 0.00 0.00 61.98 59.28 2dxq s VAL 88 Cb -0.18 -0.21 -0.03 0.00 -1.53 0.00 0.00 36.38 34.44 2dxq s VAL 88 CO 0.18 -0.12 0.15 0.42 -3.33 0.00 0.00 175.10 172.39 2dxq s THR 89 N -0.36 0.52 -0.06 5.04 -4.23 -1.26 -1.80 115.64 113.48 2dxq s THR 89 Ca -0.04 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.47 2dxq s THR 89 Cb -0.03 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 2dxq s THR 89 CO 0.00 0.00 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.27 2dxq s LEU 90 N -3.55 3.27 0.18 4.79 1.43 -1.26 -4.89 118.68 118.65 2dxq s LEU 90 Ca 0.27 0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 2dxq s LEU 90 Cb 0.03 -1.74 0.48 0.00 0.03 0.00 0.00 46.19 44.99 2dxq s LEU 90 CO 0.16 0.36 0.86 -1.84 0.23 0.00 0.00 176.35 176.12 2dxq n GLU 91 N 2.11 -0.04 0.00 1.70 -0.00 -1.26 -1.41 120.64 121.73 2dxq n GLU 91 Ca -0.18 0.81 0.03 0.00 -0.00 0.00 0.00 57.16 57.82 2dxq n GLU 91 Cb 0.53 -1.32 -0.03 0.00 -0.00 0.00 0.00 31.44 30.63 2dxq n GLU 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dxq n ALA 92 N -3.23 2.70 -1.38 -1.84 0.00 -1.26 -1.69 120.51 113.82 2dxq n ALA 92 Ca 0.15 -0.20 0.08 0.00 0.00 0.00 0.00 53.44 53.46 2dxq n ALA 92 Cb 0.48 -0.20 0.15 0.00 0.00 0.00 0.00 19.45 19.88 2dxq n ALA 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dxq n ARG 93 N -0.97 1.25 -1.69 0.00 5.12 -0.50 -5.08 116.66 114.79 2dxq n ARG 93 Ca 0.01 -2.71 -0.45 0.00 -1.93 0.00 0.00 57.85 52.78 2dxq n ARG 93 Cb 0.09 -1.42 -0.04 0.00 -1.16 0.00 0.00 32.46 29.94 2dxq n ARG 93 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2dxq n ARG 94 N -1.15 2.39 -1.15 5.56 0.63 -0.68 -2.07 116.66 120.17 2dxq n ARG 94 Ca 0.16 0.86 -0.05 0.00 -0.92 0.00 0.00 57.85 57.89 2dxq n ARG 94 Cb 0.68 -2.66 -0.02 0.00 0.45 0.00 0.00 32.46 30.91 2dxq n ARG 94 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2dxq n GLY 95 N 3.63 0.79 0.01 5.14 0.00 -1.26 -4.90 105.19 108.60 2dxq n GLY 95 Ca 0.17 -0.80 0.10 0.00 0.00 0.00 0.00 46.02 45.50 2dxq n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dxq n ARG 96 N -2.82 0.19 -0.07 1.61 5.12 -0.88 -5.01 116.66 114.80 2dxq n ARG 96 Ca -0.05 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 2dxq n ARG 96 Cb 0.18 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 2dxq n ARG 96 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dxq n GLY 97 N 1.43 0.47 0.31 -0.13 0.00 -1.26 -4.97 105.19 101.03 2dxq n GLY 97 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 2dxq n GLY 97 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2dxq h TYR 98 N 0.00 1.09 -0.27 1.61 0.05 -1.95 -0.28 116.97 117.22 2dxq h TYR 98 Ca 0.00 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 58.72 2dxq h TYR 98 Cb 0.00 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.39 2dxq h TYR 98 CO 0.00 0.84 0.11 0.78 -1.05 0.00 0.00 178.16 178.84 2dxq h GLY 99 N 1.02 0.34 0.94 3.88 0.00 -1.90 -2.00 103.07 105.36 2dxq h GLY 99 Ca 0.23 -0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.52 2dxq h GLY 99 CO -0.02 0.04 0.58 -0.09 0.00 0.00 0.00 176.54 177.06 2dxq h ARG 100 N 0.24 1.12 -0.13 4.80 2.43 -1.83 -0.95 114.38 120.07 2dxq h ARG 100 Ca 0.12 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2dxq h ARG 100 Cb 0.07 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2dxq h ARG 100 CO -0.11 0.74 0.06 1.15 -1.51 0.00 0.00 179.97 180.31 2dxq h THR 101 N 1.16 1.00 -0.22 0.20 2.02 -0.81 -0.17 112.91 116.08 2dxq h THR 101 Ca 0.34 -0.05 -0.17 0.00 0.77 0.00 0.00 66.41 67.30 2dxq h THR 101 Cb -0.06 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2dxq h THR 101 CO -0.09 0.03 -0.55 1.62 0.37 0.00 0.00 175.52 176.89 2dxq h VAL 102 N 0.14 1.30 -0.14 3.16 3.04 -1.06 -1.09 116.25 121.60 2dxq h VAL 102 Ca 0.05 -1.78 -0.06 0.00 -1.01 0.00 0.00 66.70 63.91 2dxq h VAL 102 Cb 0.01 1.72 -0.00 0.00 -2.01 0.00 0.00 31.29 31.00 2dxq h VAL 102 CO -0.03 0.56 -0.14 0.58 -1.01 0.00 0.00 177.57 177.53 2dxq h VAL 103 N 0.52 1.35 -0.65 1.51 2.07 -1.10 -1.71 116.25 118.24 2dxq h VAL 103 Ca 0.01 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 2dxq h VAL 103 Cb 1.12 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 2dxq h VAL 103 CO 0.11 0.38 0.30 0.03 0.02 0.00 0.00 177.57 178.41 2dxq h ARG 104 N -0.03 0.92 -0.53 1.57 3.08 -1.01 -0.72 114.38 117.66 2dxq h ARG 104 Ca 0.02 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2dxq h ARG 104 Cb 0.67 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2dxq h ARG 104 CO 0.03 0.72 0.21 1.25 -1.07 0.00 0.00 179.97 181.12 2dxq h HIS 105 N 0.92 0.81 -0.68 3.04 2.76 -1.10 0.16 115.15 121.06 2dxq h HIS 105 Ca 0.22 -0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 2dxq h HIS 105 Cb 0.10 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.79 2dxq h HIS 105 CO 0.01 0.66 0.35 0.00 -1.30 0.00 0.00 177.93 177.65 2dxq h ALA 106 N 1.06 0.87 -0.17 5.26 0.00 -0.76 0.10 119.26 125.63 2dxq h ALA 106 Ca 0.18 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2dxq h ALA 106 Cb 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2dxq h ALA 106 CO -0.01 0.41 0.06 0.82 0.00 0.00 0.00 179.25 180.53 2dxq h ILE 107 N 0.93 0.97 -0.50 0.00 2.04 -0.83 -1.14 117.51 118.99 2dxq h ILE 107 Ca 0.24 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.98 2dxq h ILE 107 Cb 0.08 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2dxq h ILE 107 CO -0.03 0.03 0.06 -0.33 0.00 0.00 0.00 178.15 177.88 2dxq h GLU 108 N 0.15 0.79 -0.56 2.37 5.08 -0.54 -1.07 114.58 120.80 2dxq h GLU 108 Ca 0.07 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 2dxq h GLU 108 Cb 0.03 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2dxq h GLU 108 CO -0.07 0.75 0.10 1.15 -1.00 0.00 0.00 179.01 179.94 2dxq h THR 109 N 0.75 1.25 -0.11 1.13 2.02 -0.53 0.09 112.91 117.51 2dxq h THR 109 Ca 0.16 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 2dxq h THR 109 Cb 0.36 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2dxq h THR 109 CO 0.01 0.35 0.06 0.00 0.37 0.00 0.00 175.52 176.31 2dxq h ALA 110 N 1.00 0.14 -0.50 6.16 0.00 -0.70 -2.09 119.26 123.28 2dxq h ALA 110 Ca 0.17 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2dxq h ALA 110 Cb 0.40 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2dxq h ALA 110 CO 0.01 -0.33 0.12 0.74 0.00 0.00 0.00 179.25 179.79 2dxq h PHE 111 N 0.09 0.77 0.00 0.00 0.04 -1.03 -1.26 116.94 115.55 2dxq h PHE 111 Ca 0.04 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 2dxq h PHE 111 Cb 0.06 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 37.98 2dxq h PHE 111 CO -0.05 0.65 -0.07 0.78 -0.60 0.00 0.00 178.31 179.02 2dxq h GLY 112 N 0.92 0.00 -1.20 -1.45 0.00 -0.76 -1.19 103.07 99.39 2dxq h GLY 112 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2dxq h GLY 112 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2dxq n ALA 113 N -2.34 2.45 -1.82 3.60 0.00 -0.56 -4.91 120.51 116.93 2dxq n ALA 113 Ca -0.02 -0.59 -0.09 0.00 0.00 0.00 0.00 53.44 52.74 2dxq n ALA 113 Cb 0.17 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 2dxq n ALA 113 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2dxq n ASN 114 N 0.48 -3.51 -4.74 0.00 5.15 -0.45 -4.82 115.26 107.37 2dxq n ASN 114 Ca 0.12 0.08 -0.41 0.00 -0.60 0.00 0.00 54.58 53.77 2dxq n ASN 114 Cb 0.29 -2.41 -0.03 0.00 -0.53 0.00 0.00 39.78 37.10 2dxq n ASN 114 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dxq h TYR 116 N 5.32 0.00 -3.40 0.00 -0.00 -1.63 -3.42 116.97 113.84 2dxq h TYR 116 Ca -0.45 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.19 2dxq h TYR 116 Cb 1.22 0.00 -0.16 0.00 -0.00 0.00 0.00 36.73 37.78 2dxq h TYR 116 CO 0.61 0.28 -0.27 -1.59 -0.00 0.00 0.00 178.16 177.19 2dxq s LYS 117 N -3.07 0.81 0.37 0.10 -2.85 -1.26 -5.11 119.74 108.73 2dxq s LYS 117 Ca 0.05 -0.58 0.04 0.00 -1.00 0.00 0.00 55.97 54.48 2dxq s LYS 117 Cb 0.06 0.35 -0.06 0.00 -2.06 0.00 0.00 37.83 36.12 2dxq s LYS 117 CO 0.71 -0.26 0.05 0.08 0.10 0.00 0.00 175.35 176.03 2dxq s VAL 118 N -2.77 1.33 0.00 1.79 1.01 -1.26 -1.95 120.40 118.55 2dxq s VAL 118 Ca -0.03 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.95 2dxq s VAL 118 Cb -0.00 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.61 2dxq s VAL 118 CO -0.05 0.00 0.00 -0.11 0.00 0.00 0.00 175.10 174.94 2dxq n LEU 120 N -0.82 0.00 -4.22 3.92 0.00 -1.26 -4.98 117.00 109.65 2dxq n LEU 120 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.65 2dxq n LEU 120 Cb 0.67 0.00 -0.17 0.00 0.00 0.00 0.00 43.42 43.92 2dxq n LEU 120 CO 0.43 0.00 -0.56 -0.76 0.00 0.00 0.00 177.39 176.50 2dxq s LEU 121 N 0.00 2.10 0.04 -1.96 1.43 -1.26 -5.05 118.68 113.98 2dxq s LEU 121 Ca 0.00 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 52.60 2dxq s LEU 121 Cb 0.00 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.78 2dxq s LEU 121 CO 0.00 0.15 -0.18 0.28 0.23 0.00 0.00 176.35 176.83 2dxq s THR 122 N 0.39 1.48 -1.28 5.49 -1.32 -1.26 -5.00 115.64 114.14 2dxq s THR 122 Ca -0.18 -1.13 0.13 0.00 -1.21 0.00 0.00 61.69 59.29 2dxq s THR 122 Cb -0.18 -1.30 0.26 0.00 -1.51 0.00 0.00 72.50 69.78 2dxq s THR 122 CO 0.08 0.13 1.16 0.61 -2.21 0.00 0.00 174.62 174.39 2dxq n GLY 123 N 1.86 1.68 3.71 6.08 0.00 -1.26 -4.98 105.19 112.28 2dxq n GLY 123 Ca -0.17 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2dxq n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dxq s ARG 124 N -1.03 4.29 0.54 1.61 1.81 -1.26 -4.90 118.95 120.01 2dxq s ARG 124 Ca 0.23 2.13 0.33 0.00 -1.72 0.00 0.00 55.73 56.70 2dxq s ARG 124 Cb 0.13 -3.27 1.32 0.00 -0.45 0.00 0.00 34.95 32.68 2dxq s ARG 124 CO 0.18 -0.49 1.97 1.12 -0.68 0.00 0.00 175.30 177.39 2dxq h HIS 125 N 6.93 0.00 -3.33 -0.53 2.07 -2.04 -3.46 115.15 114.79 2dxq h HIS 125 Ca -0.42 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.51 2dxq h HIS 125 Cb 1.21 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.10 2dxq h HIS 125 CO 0.67 0.02 0.62 0.34 -3.07 0.00 0.00 177.93 176.51 2dxq s ASP 126 N -5.75 6.83 0.59 3.10 -1.08 -1.26 -4.92 116.67 114.19 2dxq s ASP 126 Ca 0.01 0.93 0.29 0.00 -0.52 0.00 0.00 52.55 53.26 2dxq s ASP 126 Cb 0.09 -2.48 1.67 0.00 -1.46 0.00 0.00 42.92 40.75 2dxq s ASP 126 CO 0.55 -0.71 2.11 -0.65 0.52 0.00 0.00 175.17 176.99 2dxq h PRO 127 N 7.98 0.00 -0.24 4.34 0.11 -2.00 -1.47 132.00 140.73 2dxq h PRO 127 Ca -0.22 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.79 2dxq h PRO 127 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2dxq h PRO 127 CO 0.95 0.00 -0.29 0.00 -0.21 0.00 0.00 178.00 178.45 2dxq h ALA 128 N 1.78 1.06 -0.48 -0.75 0.00 -1.99 -0.65 119.26 118.24 2dxq h ALA 128 Ca 0.08 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2dxq h ALA 128 Cb 0.46 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2dxq h ALA 128 CO -0.00 0.58 0.08 0.28 0.00 0.00 0.00 179.25 180.19 2dxq h VAL 129 N 0.41 1.25 -0.44 0.00 2.07 -1.67 -0.77 116.25 117.11 2dxq h VAL 129 Ca 0.05 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 2dxq h VAL 129 Cb 0.72 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2dxq h VAL 129 CO 0.06 0.32 0.22 0.45 0.02 0.00 0.00 177.57 178.64 2dxq h HIS 130 N 0.66 0.62 -0.78 1.57 3.86 -1.35 -1.77 115.15 117.96 2dxq h HIS 130 Ca 0.15 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2dxq h HIS 130 Cb 0.39 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 2dxq h HIS 130 CO 0.03 0.50 0.48 0.00 0.86 0.00 0.00 177.93 179.79 2dxq h ALA 131 N 1.07 1.37 -0.28 2.45 0.00 -1.01 -1.82 119.26 121.04 2dxq h ALA 131 Ca 0.15 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2dxq h ALA 131 Cb 0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2dxq h ALA 131 CO -0.02 0.55 0.17 0.35 0.00 0.00 0.00 179.25 180.29 2dxq h PHE 132 N 1.07 0.31 -0.55 0.00 3.57 -0.72 -0.53 116.94 120.09 2dxq h PHE 132 Ca 0.28 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 2dxq h PHE 132 Cb -0.06 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 2dxq h PHE 132 CO 0.00 0.19 0.13 1.88 -2.23 0.00 0.00 178.31 178.28 2dxq h TYR 133 N 0.34 0.88 -0.67 0.41 0.05 -0.79 -2.02 116.97 115.17 2dxq h TYR 133 Ca 0.11 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 2dxq h TYR 133 Cb -0.01 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.44 2dxq h TYR 133 CO -0.07 0.74 0.33 0.93 -1.05 0.00 0.00 178.16 179.04 2dxq h GLU 134 N 0.82 0.95 0.00 4.88 5.08 -0.92 -1.69 114.58 123.70 2dxq h GLU 134 Ca 0.18 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2dxq h GLU 134 Cb 0.31 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2dxq h GLU 134 CO -0.00 0.73 0.00 0.66 -1.00 0.00 0.00 179.01 179.40 2dxq h SER 135 N 0.95 0.00 0.40 1.42 4.64 -0.38 -0.88 113.55 119.71 2dxq h SER 135 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2dxq h SER 135 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2dxq h SER 135 CO -0.03 0.00 -0.19 0.00 -0.87 0.00 0.00 176.83 175.73 2dxq n GLY 137 N 1.35 0.56 3.77 0.00 0.00 -0.33 -4.79 105.19 105.74 2dxq n GLY 137 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2dxq n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dxq s PHE 138 N -2.00 2.69 -0.07 1.61 0.08 -0.97 -5.00 117.98 114.33 2dxq s PHE 138 Ca 0.00 1.51 0.02 0.00 0.12 0.00 0.00 56.93 58.59 2dxq s PHE 138 Cb 0.00 -3.43 -0.02 0.00 -0.57 0.00 0.00 43.02 39.00 2dxq s PHE 138 CO 0.00 -1.80 -0.13 0.08 -0.10 0.00 0.00 175.22 173.28 2dxq s VAL 139 N -1.57 3.19 -1.30 -0.44 1.01 -1.26 -4.13 120.40 115.91 2dxq s VAL 139 Ca 0.68 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 2dxq s VAL 139 Cb -0.29 -2.28 0.12 0.00 0.00 0.00 0.00 36.38 33.93 2dxq s VAL 139 CO 0.34 0.58 1.76 1.67 0.00 0.00 0.00 175.10 179.46 2dxq n GLN 140 N 2.50 3.29 -0.18 2.72 0.00 -1.26 -4.56 117.38 119.88 2dxq n GLN 140 Ca -0.17 -3.39 0.05 0.00 -0.00 0.00 0.00 57.00 53.49 2dxq n GLN 140 Cb 0.52 -3.19 0.08 0.00 0.00 0.00 0.00 30.24 27.65 2dxq n GLN 140 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2dxq n ASN 141 N 6.08 1.51 -4.18 1.69 0.23 -1.26 -5.04 115.26 114.29 2dxq n ASN 141 Ca 0.44 -2.54 -0.15 0.00 -0.53 0.00 0.00 54.58 51.80 2dxq n ASN 141 Cb 0.41 -0.29 -0.11 0.00 -2.08 0.00 0.00 39.78 37.72 2dxq n ASN 141 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2dxq s LYS 142 N -1.69 0.87 -0.17 -3.83 -0.14 -1.26 -5.15 119.74 108.37 2dxq s LYS 142 Ca 0.17 -1.17 -0.03 0.00 -1.36 0.00 0.00 55.97 53.58 2dxq s LYS 142 Cb 0.15 -0.56 -0.02 0.00 -1.68 0.00 0.00 37.83 35.72 2dxq s LYS 142 CO 0.02 0.09 -0.06 0.99 -0.76 0.00 0.00 175.35 175.63 2dxq s THR 143 N -2.45 3.53 0.08 2.17 2.01 -1.26 -5.10 115.64 114.62 2dxq s THR 143 Ca 0.06 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 61.47 2dxq s THR 143 Cb -0.03 -2.56 -0.06 0.00 0.01 0.00 0.00 72.50 69.87 2dxq s THR 143 CO 0.00 0.47 0.43 -0.83 -0.69 0.00 0.00 174.62 174.01 2dxq s GLY 144 N 0.75 2.39 0.04 4.40 0.00 -1.26 -5.09 107.32 108.54 2dxq s GLY 144 Ca -0.03 -0.30 0.04 0.00 0.00 0.00 0.00 44.72 44.43 2dxq s GLY 144 CO 0.02 -0.04 -0.11 -1.36 0.00 0.00 0.00 173.10 171.61 2dxq s PHE 145 N -1.35 0.97 -0.09 1.90 0.08 -1.26 -5.16 117.98 113.07 2dxq s PHE 145 Ca 0.32 -0.37 -0.14 0.00 0.12 0.00 0.00 56.93 56.87 2dxq s PHE 145 Cb -0.15 -0.58 0.03 0.00 -0.57 0.00 0.00 43.02 41.76 2dxq s PHE 145 CO 0.17 0.00 0.35 -1.14 -0.10 0.00 0.00 175.22 174.50 2dxq s GLN 146 N -1.19 0.51 -0.02 0.44 0.74 -1.26 -5.15 119.66 113.74 2dxq s GLN 146 Ca -0.02 0.27 0.04 0.00 0.05 0.00 0.00 55.36 55.70 2dxq s GLN 146 Cb -0.08 0.24 -0.01 0.00 1.10 0.00 0.00 33.01 34.26 2dxq s GLN 146 CO 0.01 -0.10 -0.15 -1.50 -0.55 0.00 0.00 175.29 173.00 2dxq s ILE 147 N -0.33 1.17 0.24 -2.34 2.07 -1.26 -5.15 121.20 115.60 2dxq s ILE 147 Ca -0.05 -0.62 0.10 0.00 -1.41 0.00 0.00 60.65 58.68 2dxq s ILE 147 Cb -0.03 -0.99 -0.05 0.00 0.13 0.00 0.00 42.46 41.52 2dxq s ILE 147 CO 0.02 0.34 -0.17 -0.13 -1.91 0.00 0.00 174.94 173.08 2dxq s ARG 148 N -0.21 1.50 0.08 3.50 0.52 -1.26 -5.16 118.95 117.92 2dxq s ARG 148 Ca 0.03 -1.67 0.02 0.00 -0.52 0.00 0.00 55.73 53.59 2dxq s ARG 148 Cb -0.07 -1.45 -0.04 0.00 0.52 0.00 0.00 34.95 33.92 2dxq s ARG 148 CO 0.00 0.26 -0.08 1.14 0.02 0.00 0.00 175.30 176.64 2dxq s GLN 149 N -3.56 0.74 0.00 3.54 -2.07 -1.26 -5.38 119.66 111.67 2dxq s GLN 149 Ca 0.26 -1.12 0.00 0.00 -1.82 0.00 0.00 55.36 52.68 2dxq s GLN 149 Cb -0.03 -0.30 0.00 0.00 -1.09 0.00 0.00 33.01 31.60 2dxq s GLN 149 CO 0.11 0.02 0.44 -0.25 -1.32 0.00 0.00 175.29 174.29