#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmq s LEU 2 N 0.00 4.48 0.03 -0.89 1.43 -1.26 -4.93 118.68 117.53 1xmq s LEU 2 Ca 0.00 2.07 0.10 0.00 -1.03 0.00 0.00 54.13 55.27 1xmq s LEU 2 Cb 0.00 -3.60 -0.22 0.00 0.03 0.00 0.00 46.19 42.39 1xmq s LEU 2 CO 0.00 -0.23 0.92 0.00 0.23 0.00 0.00 176.35 177.27 1xmq h THR 3 N 3.80 1.22 -1.35 5.49 1.03 -2.06 -3.43 112.91 117.60 1xmq h THR 3 Ca -0.44 -3.00 -0.15 0.00 -0.01 0.00 0.00 66.41 62.81 1xmq h THR 3 Cb 1.21 2.61 -0.24 0.00 -1.07 0.00 0.00 68.15 70.66 1xmq h THR 3 CO 0.73 0.70 -0.51 -0.62 -0.01 0.00 0.00 175.52 175.81 1xmq s ASP 4 N -6.38 -0.57 0.15 0.00 -1.08 -1.26 -4.95 116.67 102.58 1xmq s ASP 4 Ca -0.03 -0.79 -0.17 0.00 -0.52 0.00 0.00 52.55 51.05 1xmq s ASP 4 Cb 0.09 1.49 0.05 0.00 -1.46 0.00 0.00 42.92 43.08 1xmq s ASP 4 CO 0.82 -0.24 1.74 -0.65 0.52 0.00 0.00 175.17 177.37 1xmq h PRO 5 N 7.33 0.23 -0.65 4.34 0.11 -1.99 -1.12 132.00 140.26 1xmq h PRO 5 Ca 0.02 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.27 1xmq h PRO 5 Cb 1.14 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1xmq h PRO 5 CO 0.16 0.15 0.45 0.82 -0.21 0.00 0.00 178.00 179.37 1xmq h ILE 6 N 0.24 0.75 0.24 4.15 1.08 -1.99 0.39 117.51 122.37 1xmq h ILE 6 Ca 0.15 -0.06 -0.34 0.00 -0.39 0.00 0.00 64.86 64.23 1xmq h ILE 6 Cb 0.14 0.56 0.04 0.00 -3.07 0.00 0.00 36.82 34.48 1xmq h ILE 6 CO -0.17 0.03 -1.49 0.00 -0.69 0.00 0.00 178.15 175.83 1xmq h ALA 7 N 1.69 -0.13 0.01 1.87 0.00 -1.82 -1.60 119.26 119.28 1xmq h ALA 7 Ca 0.31 -0.88 0.01 0.00 0.00 0.00 0.00 54.91 54.35 1xmq h ALA 7 Cb 0.98 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1xmq h ALA 7 CO -0.05 0.74 -0.06 0.22 0.00 0.00 0.00 179.25 180.09 1xmq h ASP 8 N 0.14 -0.17 0.09 0.00 3.58 0.41 0.19 116.42 120.66 1xmq h ASP 8 Ca -0.26 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.23 1xmq h ASP 8 Cb 2.16 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 43.25 1xmq h ASP 8 CO 0.27 -0.09 -0.17 -0.03 -2.88 0.00 0.00 179.24 176.34 1xmq h MET 9 N -0.11 -0.32 -0.60 0.28 4.05 -0.43 0.36 114.93 118.17 1xmq h MET 9 Ca 0.02 0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.58 1xmq h MET 9 Cb 0.13 0.07 -0.10 0.00 -0.80 0.00 0.00 31.60 30.91 1xmq h MET 9 CO -0.05 -0.21 0.02 -0.07 0.23 0.00 0.00 176.91 176.83 1xmq h LEU 10 N -0.33 -0.21 -0.04 3.39 3.38 -0.94 -1.19 115.31 119.37 1xmq h LEU 10 Ca 0.03 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1xmq h LEU 10 Cb 0.35 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1xmq h LEU 10 CO -0.10 -0.09 0.01 0.74 0.09 0.00 0.00 178.44 179.09 1xmq h THR 11 N 0.14 1.16 -0.91 0.22 2.02 0.15 -0.81 112.91 114.88 1xmq h THR 11 Ca 0.31 -0.48 0.24 0.00 0.77 0.00 0.00 66.41 67.25 1xmq h THR 11 Cb 0.49 1.41 -0.13 0.00 -1.74 0.00 0.00 68.15 68.18 1xmq h THR 11 CO -0.49 0.13 0.38 0.03 0.37 0.00 0.00 175.52 175.94 1xmq h ARG 12 N -0.12 0.32 -0.12 6.66 3.08 0.43 0.56 114.38 125.19 1xmq h ARG 12 Ca 0.01 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1xmq h ARG 12 Cb 0.20 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1xmq h ARG 12 CO -0.00 0.21 -0.00 0.82 -1.07 0.00 0.00 179.97 179.93 1xmq h ILE 13 N 0.33 1.26 -0.23 2.04 2.04 -0.86 0.70 117.51 122.79 1xmq h ILE 13 Ca 0.59 -0.83 0.05 0.00 1.00 0.00 0.00 64.86 65.67 1xmq h ILE 13 Cb 1.18 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 38.79 1xmq h ILE 13 CO -0.58 0.24 -0.10 -0.09 0.00 0.00 0.00 178.15 177.62 1xmq h ARG 14 N -0.06 -0.06 0.59 2.37 2.43 0.12 -1.38 114.38 118.38 1xmq h ARG 14 Ca 0.03 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1xmq h ARG 14 Cb 0.37 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1xmq h ARG 14 CO 0.01 -0.04 -0.28 -0.91 -1.51 0.00 0.00 179.97 177.23 1xmq h ASN 15 N -0.07 -0.67 -0.99 -3.80 2.35 -0.05 -2.57 115.58 109.78 1xmq h ASN 15 Ca 0.12 0.01 0.16 0.00 -0.55 0.00 0.00 56.30 56.04 1xmq h ASN 15 Cb 0.25 0.17 -0.09 0.00 0.05 0.00 0.00 38.32 38.70 1xmq h ASN 15 CO -0.28 -0.45 0.62 0.00 -1.65 0.00 0.00 177.43 175.67 1xmq h ALA 16 N -0.43 1.67 -0.01 -0.83 0.00 -0.68 -1.37 119.26 117.60 1xmq h ALA 16 Ca -0.08 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1xmq h ALA 16 Cb 0.62 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1xmq h ALA 16 CO 0.13 0.01 -0.70 1.79 0.00 0.00 0.00 179.25 180.49 1xmq h THR 17 N 0.82 1.49 0.00 0.00 1.35 -1.19 -0.28 112.91 115.09 1xmq h THR 17 Ca 0.54 -2.35 -0.02 0.00 -0.55 0.00 0.00 66.41 64.02 1xmq h THR 17 Cb 0.77 2.26 -0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1xmq h THR 17 CO -0.32 0.67 -0.11 0.03 -0.25 0.00 0.00 175.52 175.55 1xmq h ARG 18 N 0.02 0.00 -0.33 4.72 -0.00 -0.83 -0.25 114.38 117.72 1xmq h ARG 18 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1xmq h ARG 18 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.20 1xmq h ARG 18 CO 0.09 0.11 0.00 1.33 0.00 0.00 0.00 179.97 181.50 1xmq n VAL 19 N -3.61 0.58 -2.45 2.04 0.24 -1.18 -4.98 118.33 108.97 1xmq n VAL 19 Ca -0.02 -0.79 -0.16 0.00 -2.04 0.00 0.00 64.34 61.34 1xmq n VAL 19 Cb 0.23 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 1xmq n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1xmq n TYR 20 N 1.05 -0.95 -0.61 6.34 4.01 -0.11 -5.00 117.16 121.90 1xmq n TYR 20 Ca 0.15 0.12 -0.31 0.00 -0.16 0.00 0.00 57.90 57.70 1xmq n TYR 20 Cb 0.49 -3.30 0.20 0.00 -0.31 0.00 0.00 39.34 36.42 1xmq n TYR 20 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1xmq n LYS 21 N -2.68 -1.71 -0.12 -0.72 4.76 -0.14 -4.97 118.16 112.59 1xmq n LYS 21 Ca -0.15 -0.47 -0.24 0.00 -2.87 0.00 0.00 58.31 54.58 1xmq n LYS 21 Cb 0.62 -1.96 -0.09 0.00 -1.84 0.00 0.00 35.03 31.77 1xmq n LYS 21 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1xmq n GLU 22 N -3.36 0.50 -1.00 1.97 2.13 -1.26 -4.81 120.64 114.81 1xmq n GLU 22 Ca 0.03 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.06 1xmq n GLU 22 Cb 0.57 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.94 1xmq n GLU 22 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1xmq n SER 23 N -3.96 0.31 0.00 4.31 2.88 -1.26 -1.51 113.62 114.39 1xmq n SER 23 Ca -0.45 -0.87 0.00 0.00 -1.33 0.00 0.00 58.87 56.22 1xmq n SER 23 Cb 0.83 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 1xmq n SER 23 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1xmq n THR 24 N -0.73 0.00 -3.26 2.46 5.66 -1.20 -4.79 114.28 112.42 1xmq n THR 24 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 1xmq n THR 24 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1xmq n THR 24 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1xmq s ASP 25 N 0.00 6.39 -0.25 1.09 1.11 -1.26 -0.51 116.67 123.25 1xmq s ASP 25 Ca 0.00 0.69 -0.15 0.00 0.18 0.00 0.00 52.55 53.27 1xmq s ASP 25 Cb 0.00 -2.13 0.07 0.00 1.07 0.00 0.00 42.92 41.93 1xmq s ASP 25 CO 0.00 -0.26 0.61 0.68 1.18 0.00 0.00 175.17 177.38 1xmq s VAL 26 N -2.21 -0.01 0.30 -1.27 -7.23 -1.21 -4.96 120.40 103.81 1xmq s VAL 26 Ca 0.44 0.03 -0.27 0.00 -1.81 0.00 0.00 61.98 60.37 1xmq s VAL 26 Cb -0.10 -0.88 -0.14 0.00 0.56 0.00 0.00 36.38 35.81 1xmq s VAL 26 CO 0.33 0.01 0.77 -2.65 -0.31 0.00 0.00 175.10 173.25 1xmq n PRO 27 N 4.19 0.82 -3.38 4.82 -0.02 -1.26 -0.92 135.00 139.25 1xmq n PRO 27 Ca -0.21 0.29 -0.33 0.00 -2.02 0.00 0.00 63.50 61.24 1xmq n PRO 27 Cb 0.58 -1.55 -0.06 0.00 -0.02 0.00 0.00 33.50 32.45 1xmq n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xmq s ALA 28 N -1.15 3.54 -0.20 3.55 0.00 -0.30 -4.67 121.76 122.54 1xmq s ALA 28 Ca 0.61 -0.21 -0.27 0.00 0.00 0.00 0.00 51.96 52.09 1xmq s ALA 28 Cb -0.73 -2.48 0.07 0.00 0.00 0.00 0.00 23.12 19.97 1xmq s ALA 28 CO 0.58 0.48 0.72 -1.54 0.00 0.00 0.00 175.76 176.01 1xmq s SER 29 N -2.22 -0.70 0.17 0.00 1.04 -1.26 -4.94 113.70 105.78 1xmq s SER 29 Ca 0.46 1.17 -0.23 0.00 0.48 0.00 0.00 55.95 57.83 1xmq s SER 29 Cb -0.12 1.13 0.07 0.00 0.10 0.00 0.00 66.02 67.20 1xmq s SER 29 CO 0.20 -0.37 1.59 0.03 0.98 0.00 0.00 173.24 175.68 1xmq h ARG 30 N 4.28 -0.22 -0.15 4.02 2.47 -1.98 0.41 114.38 123.21 1xmq h ARG 30 Ca -0.28 0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.49 1xmq h ARG 30 Cb 1.15 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.49 1xmq h ARG 30 CO 0.17 -0.15 -0.09 0.35 0.56 0.00 0.00 179.97 180.81 1xmq h PHE 31 N -0.23 -0.21 -0.66 3.04 3.57 -1.99 0.12 116.94 120.59 1xmq h PHE 31 Ca 0.19 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.79 1xmq h PHE 31 Cb 0.55 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.34 1xmq h PHE 31 CO -0.60 -0.14 0.33 0.87 -2.23 0.00 0.00 178.31 176.54 1xmq h LYS 32 N -0.08 0.56 -0.38 1.11 1.57 -1.61 -1.86 116.57 115.88 1xmq h LYS 32 Ca 0.09 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1xmq h LYS 32 Cb 0.21 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1xmq h LYS 32 CO -0.20 0.37 0.13 1.49 -0.57 0.00 0.00 179.45 180.67 1xmq h GLU 33 N 0.58 0.28 -0.99 3.15 4.81 0.13 -1.36 114.58 121.17 1xmq h GLU 33 Ca 0.31 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.62 1xmq h GLU 33 Cb 0.29 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.54 1xmq h GLU 33 CO -0.24 0.18 0.63 0.93 -0.73 0.00 0.00 179.01 179.78 1xmq h GLU 34 N 0.29 1.03 -0.26 1.92 4.39 -0.03 -0.45 114.58 121.46 1xmq h GLU 34 Ca 0.18 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 1xmq h GLU 34 Cb 0.16 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1xmq h GLU 34 CO -0.18 0.68 -0.05 0.82 -1.16 0.00 0.00 179.01 179.12 1xmq h ILE 35 N 1.07 1.28 -0.37 3.13 2.04 -0.77 -2.85 117.51 121.03 1xmq h ILE 35 Ca 0.46 -1.04 0.08 0.00 1.00 0.00 0.00 64.86 65.36 1xmq h ILE 35 Cb 0.33 1.43 -0.08 0.00 -0.74 0.00 0.00 36.82 37.77 1xmq h ILE 35 CO -0.22 0.33 -0.12 -0.07 0.00 0.00 0.00 178.15 178.06 1xmq h LEU 36 N 0.25 -0.44 -0.94 1.44 3.38 -0.34 -0.91 115.31 117.75 1xmq h LEU 36 Ca 0.07 0.12 0.25 0.00 0.09 0.00 0.00 57.88 58.41 1xmq h LEU 36 Cb 0.51 0.27 -0.17 0.00 0.09 0.00 0.00 40.66 41.36 1xmq h LEU 36 CO 0.02 -0.16 0.03 0.03 0.09 0.00 0.00 178.44 178.45 1xmq h ARG 37 N -0.04 0.04 -0.06 1.13 3.08 -0.88 0.26 114.38 117.90 1xmq h ARG 37 Ca 0.18 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1xmq h ARG 37 Cb 0.32 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1xmq h ARG 37 CO -0.41 0.02 -0.07 0.82 -1.07 0.00 0.00 179.97 179.26 1xmq h ILE 38 N 0.04 1.39 -0.60 2.04 2.04 -1.11 -1.85 117.51 119.46 1xmq h ILE 38 Ca 0.56 -1.27 0.12 0.00 1.00 0.00 0.00 64.86 65.27 1xmq h ILE 38 Cb 1.12 2.10 -0.09 0.00 -0.74 0.00 0.00 36.82 39.21 1xmq h ILE 38 CO -0.87 0.35 0.05 -0.07 0.00 0.00 0.00 178.15 177.62 1xmq h LEU 39 N -0.30 -0.16 -0.02 1.44 -0.00 0.52 0.17 115.31 116.95 1xmq h LEU 39 Ca 0.01 0.13 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 1xmq h LEU 39 Cb 0.60 0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 41.48 1xmq h LEU 39 CO 0.02 -0.06 0.01 0.00 -0.00 0.00 0.00 178.44 178.40 1xmq h ALA 40 N 1.52 0.03 -0.49 1.53 0.00 -0.62 -0.86 119.26 120.36 1xmq h ALA 40 Ca 0.31 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1xmq h ALA 40 Cb 0.49 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1xmq h ALA 40 CO -0.47 -0.48 0.32 -0.09 0.00 0.00 0.00 179.25 178.53 1xmq h ARG 41 N 0.03 0.62 0.00 0.00 2.43 -0.40 -0.40 114.38 116.65 1xmq h ARG 41 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1xmq h ARG 41 Cb 0.00 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1xmq h ARG 41 CO -0.01 0.41 0.00 0.39 -1.51 0.00 0.00 179.97 179.25 1xmq n GLU 42 N -4.77 0.01 -2.61 0.20 -0.58 0.49 -4.90 120.64 108.48 1xmq n GLU 42 Ca 0.03 0.21 -0.08 0.00 -0.42 0.00 0.00 57.16 56.90 1xmq n GLU 42 Cb 0.04 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.45 1xmq n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xmq n GLY 43 N 0.21 0.05 0.00 0.62 0.00 -0.16 -4.94 105.19 100.98 1xmq n GLY 43 Ca 0.04 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.98 1xmq n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xmq n PHE 44 N -2.43 0.00 -4.03 1.61 3.72 -0.42 -4.98 117.46 110.94 1xmq n PHE 44 Ca -0.12 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.20 1xmq n PHE 44 Cb 0.58 -0.18 -0.10 0.00 -0.94 0.00 0.00 39.48 38.83 1xmq n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1xmq s ILE 45 N -2.79 0.16 -1.25 4.37 -4.36 -1.24 -4.33 121.20 111.76 1xmq s ILE 45 Ca 0.00 -1.32 0.00 0.00 -0.26 0.00 0.00 60.65 59.07 1xmq s ILE 45 Cb 0.11 -0.86 0.00 0.00 1.25 0.00 0.00 42.46 42.96 1xmq s ILE 45 CO 0.65 -0.73 0.45 0.29 0.24 0.00 0.00 174.94 175.84 1xmq n LYS 46 N 0.88 0.71 0.00 0.37 5.02 0.08 -4.62 118.16 120.60 1xmq n LYS 46 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1xmq n LYS 46 Cb 0.58 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 1xmq n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xmq n GLY 47 N 0.16 -1.42 3.49 0.72 0.00 -1.23 -4.83 105.19 102.08 1xmq n GLY 47 Ca 0.00 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 1xmq n GLY 47 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xmq s TYR 48 N 0.00 -0.39 0.07 1.61 -0.85 -1.26 -1.71 117.35 114.82 1xmq s TYR 48 Ca 0.00 0.27 -0.03 0.00 -0.52 0.00 0.00 57.07 56.80 1xmq s TYR 48 Cb 0.00 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.84 1xmq s TYR 48 CO 0.00 -0.59 0.03 -1.83 -1.52 0.00 0.00 175.55 171.64 1xmq s GLU 49 N -3.09 0.71 0.37 -3.49 -1.05 -0.16 -4.97 118.70 107.02 1xmq s GLU 49 Ca 0.04 -1.20 -0.21 0.00 -0.15 0.00 0.00 54.97 53.44 1xmq s GLU 49 Cb -0.01 0.24 -0.10 0.00 -0.44 0.00 0.00 34.13 33.82 1xmq s GLU 49 CO -0.09 -0.17 0.89 1.03 0.95 0.00 0.00 175.26 177.88 1xmq s ARG 50 N -3.93 4.26 0.33 -4.83 0.52 -1.26 -0.58 118.95 113.46 1xmq s ARG 50 Ca 0.09 1.06 -0.07 0.00 -0.52 0.00 0.00 55.73 56.28 1xmq s ARG 50 Cb 0.07 -2.42 0.03 0.00 0.52 0.00 0.00 34.95 33.16 1xmq s ARG 50 CO -0.08 0.11 0.57 0.28 0.02 0.00 0.00 175.30 176.19 1xmq n VAL 51 N -0.22 0.00 -4.15 3.52 0.31 -0.80 -4.82 118.33 112.17 1xmq n VAL 51 Ca 0.05 -1.21 -0.15 0.00 -0.01 0.00 0.00 64.34 63.02 1xmq n VAL 51 Cb 0.53 0.92 -0.11 0.00 -0.91 0.00 0.00 33.84 34.26 1xmq n VAL 51 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1xmq s ASP 52 N -2.86 1.37 -0.15 4.52 1.11 -1.26 -1.27 116.67 118.13 1xmq s ASP 52 Ca 0.20 -0.73 -0.06 0.00 0.18 0.00 0.00 52.55 52.14 1xmq s ASP 52 Cb -0.03 0.00 0.07 0.00 1.07 0.00 0.00 42.92 44.03 1xmq s ASP 52 CO 0.14 -0.22 0.32 -0.69 1.18 0.00 0.00 175.17 175.90 1xmq s VAL 53 N -2.03 -0.32 -0.21 -1.27 1.01 -0.77 -4.80 120.40 112.01 1xmq s VAL 53 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1xmq s VAL 53 Cb -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.82 1xmq s VAL 53 CO 0.00 0.08 0.00 -0.67 0.00 0.00 0.00 175.10 174.52 1xmq n ASP 54 N 4.93 -4.59 -0.01 3.32 2.03 -1.26 -1.06 116.55 119.90 1xmq n ASP 54 Ca -0.14 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1xmq n ASP 54 Cb 0.51 -2.95 0.00 0.00 -0.72 0.00 0.00 41.12 37.96 1xmq n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xmq n GLY 55 N 0.64 1.67 2.92 0.27 0.00 -1.26 -5.12 105.19 104.31 1xmq n GLY 55 Ca -0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1xmq n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xmq s LYS 56 N -1.22 0.07 -0.39 1.61 3.01 -0.23 -5.11 119.74 117.49 1xmq s LYS 56 Ca 0.00 -0.03 -0.27 0.00 -1.01 0.00 0.00 55.97 54.66 1xmq s LYS 56 Cb 0.00 0.03 -0.07 0.00 -1.01 0.00 0.00 37.83 36.78 1xmq s LYS 56 CO 0.00 -0.01 2.34 -0.35 0.51 0.00 0.00 175.35 177.84 1xmq n PRO 57 N 2.89 1.37 -4.60 -1.68 -0.04 -1.26 -1.85 135.00 129.83 1xmq n PRO 57 Ca -0.13 0.22 -0.32 0.00 -0.04 0.00 0.00 63.50 63.22 1xmq n PRO 57 Cb 0.59 -3.26 -0.06 0.00 -0.04 0.00 0.00 33.50 30.74 1xmq n PRO 57 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xmq n TYR 58 N 13.82 0.90 -3.65 0.54 4.02 -0.40 -1.15 117.16 131.24 1xmq n TYR 58 Ca 0.35 -2.54 -0.29 0.00 -0.01 0.00 0.00 57.90 55.41 1xmq n TYR 58 Cb 0.48 -0.37 -0.15 0.00 -0.02 0.00 0.00 39.34 39.28 1xmq n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1xmq s LEU 59 N 0.00 1.42 0.15 7.72 1.43 -0.10 -1.91 118.68 127.39 1xmq s LEU 59 Ca 0.06 -1.40 -0.31 0.00 -1.03 0.00 0.00 54.13 51.44 1xmq s LEU 59 Cb -0.00 -0.62 -0.10 0.00 0.03 0.00 0.00 46.19 45.50 1xmq s LEU 59 CO 0.04 -0.41 1.57 -0.13 0.23 0.00 0.00 176.35 177.64 1xmq s ARG 60 N 1.84 4.22 -0.32 1.70 0.52 0.25 -3.35 118.95 123.81 1xmq s ARG 60 Ca 0.08 2.34 -0.02 0.00 -0.52 0.00 0.00 55.73 57.61 1xmq s ARG 60 Cb -0.17 -3.22 0.06 0.00 0.52 0.00 0.00 34.95 32.14 1xmq s ARG 60 CO -0.28 -0.61 0.04 0.08 0.02 0.00 0.00 175.30 174.55 1xmq s VAL 61 N 1.35 3.03 -0.29 3.52 1.01 0.33 -0.98 120.40 128.37 1xmq s VAL 61 Ca 0.70 -1.54 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 1xmq s VAL 61 Cb -0.43 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1xmq s VAL 61 CO 0.31 -0.23 1.19 -0.31 0.00 0.00 0.00 175.10 176.06 1xmq s TYR 62 N 1.22 2.92 0.53 5.22 2.02 -0.69 -3.25 117.35 125.31 1xmq s TYR 62 Ca -0.02 1.04 -0.11 0.00 -0.37 0.00 0.00 57.07 57.61 1xmq s TYR 62 Cb -0.20 -3.76 -0.05 0.00 -0.40 0.00 0.00 41.96 37.55 1xmq s TYR 62 CO -0.02 -1.27 0.92 -0.51 -1.57 0.00 0.00 175.55 173.10 1xmq s LEU 63 N 3.93 3.51 -0.03 -1.29 1.02 -0.57 -0.74 118.68 124.52 1xmq s LEU 63 Ca 0.51 1.30 0.04 0.00 0.02 0.00 0.00 54.13 56.00 1xmq s LEU 63 Cb -0.15 -4.28 -0.00 0.00 0.02 0.00 0.00 46.19 41.78 1xmq s LEU 63 CO 0.18 -0.66 -0.13 -0.75 0.02 0.00 0.00 176.35 175.02 1xmq s LYS 64 N -4.59 1.26 0.07 1.70 2.20 -1.26 -4.37 119.74 114.74 1xmq s LYS 64 Ca 0.54 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.71 1xmq s LYS 64 Cb -0.10 -1.15 -0.04 0.00 -1.51 0.00 0.00 37.83 35.03 1xmq s LYS 64 CO 0.43 0.20 -0.06 0.71 -0.36 0.00 0.00 175.35 176.27 1xmq s TYR 65 N 0.01 0.70 0.00 4.03 1.51 -1.26 -3.95 117.35 118.38 1xmq s TYR 65 Ca -0.01 -0.85 0.00 0.00 -1.01 0.00 0.00 57.07 55.20 1xmq s TYR 65 Cb -0.09 -0.43 0.00 0.00 -0.11 0.00 0.00 41.96 41.33 1xmq s TYR 65 CO 0.01 -0.20 0.00 0.41 -1.11 0.00 0.00 175.55 174.65 1xmq n GLY 66 N 0.41 -2.32 3.96 0.71 0.00 -0.30 -4.92 105.19 102.73 1xmq n GLY 66 Ca -0.16 -1.39 -0.22 0.00 0.00 0.00 0.00 46.02 44.25 1xmq n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xmq s PRO 67 N -0.65 3.15 0.78 1.61 0.04 -1.26 -4.63 135.00 134.03 1xmq s PRO 67 Ca 0.00 -0.59 -0.15 0.00 0.04 0.00 0.00 61.00 60.30 1xmq s PRO 67 Cb 0.00 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1xmq s PRO 67 CO 0.00 -0.11 0.69 -2.13 0.04 0.00 0.00 177.00 175.49 1xmq n ARG 68 N -1.92 0.21 -4.46 4.56 0.63 -1.26 -4.01 116.66 110.41 1xmq n ARG 68 Ca -0.00 0.12 -0.22 0.00 -0.92 0.00 0.00 57.85 56.83 1xmq n ARG 68 Cb 0.58 -2.00 -0.11 0.00 0.45 0.00 0.00 32.46 31.38 1xmq n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1xmq s ARG 69 N -3.24 1.65 0.83 -0.14 0.52 -1.19 -4.89 118.95 112.49 1xmq s ARG 69 Ca 0.67 -1.89 -0.12 0.00 -0.52 0.00 0.00 55.73 53.87 1xmq s ARG 69 Cb -0.31 -1.04 0.11 0.00 0.52 0.00 0.00 34.95 34.22 1xmq s ARG 69 CO 0.57 -0.10 1.18 -0.65 0.02 0.00 0.00 175.30 176.32 1xmq s GLN 70 N -3.82 1.69 1.76 3.54 -1.52 -1.26 -4.39 119.66 115.66 1xmq s GLN 70 Ca 0.34 -0.10 0.00 0.00 -1.95 0.00 0.00 55.36 53.65 1xmq s GLN 70 Cb 0.07 -1.97 0.00 0.00 -0.22 0.00 0.00 33.01 30.89 1xmq s GLN 70 CO 0.14 -1.72 0.00 0.41 -0.25 0.00 0.00 175.29 173.87 1xmq n GLY 71 N -3.35 -1.20 3.76 3.09 0.00 -1.26 -4.66 105.19 101.58 1xmq n GLY 71 Ca 0.10 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 1xmq n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xmq s PRO 72 N 0.00 2.59 -0.49 1.61 0.04 -1.26 -4.09 135.00 133.40 1xmq s PRO 72 Ca 0.00 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 62.37 1xmq s PRO 72 Cb 0.00 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.64 1xmq s PRO 72 CO 0.00 -1.42 0.62 -3.47 0.04 0.00 0.00 177.00 172.77 1xmq n ASP 73 N -2.57 -7.80 -1.76 6.66 4.64 -1.26 -4.85 116.55 109.62 1xmq n ASP 73 Ca 0.11 0.38 -0.14 0.00 -1.38 0.00 0.00 54.79 53.77 1xmq n ASP 73 Cb 0.52 -5.19 0.05 0.00 -1.04 0.00 0.00 41.12 35.45 1xmq n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1xmq n PRO 74 N -0.59 1.67 -3.07 -0.67 -0.04 -1.26 -4.80 135.00 126.25 1xmq n PRO 74 Ca 0.08 -1.39 -0.39 0.00 -0.04 0.00 0.00 63.50 61.77 1xmq n PRO 74 Cb 0.48 -1.54 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 1xmq n PRO 74 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xmq s ARG 75 N -1.59 4.43 0.59 0.54 0.52 -1.26 -3.15 118.95 119.03 1xmq s ARG 75 Ca 0.27 0.96 -0.18 0.00 -0.52 0.00 0.00 55.73 56.26 1xmq s ARG 75 Cb 0.22 -3.33 -0.06 0.00 0.52 0.00 0.00 34.95 32.29 1xmq s ARG 75 CO 0.01 0.38 0.80 -2.30 0.02 0.00 0.00 175.30 174.21 1xmq n PRO 76 N 2.49 0.74 -2.03 3.54 -0.02 -1.26 -4.50 135.00 133.96 1xmq n PRO 76 Ca -0.05 0.29 -0.33 0.00 -2.02 0.00 0.00 63.50 61.39 1xmq n PRO 76 Cb 0.50 -1.99 0.02 0.00 -0.02 0.00 0.00 33.50 32.01 1xmq n PRO 76 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1xmq s GLU 77 N -2.50 3.18 0.18 -0.52 2.12 -1.26 -4.80 118.70 115.11 1xmq s GLU 77 Ca 0.73 1.37 -0.18 0.00 0.36 0.00 0.00 54.97 57.25 1xmq s GLU 77 Cb -0.43 -2.00 -0.08 0.00 0.26 0.00 0.00 34.13 31.88 1xmq s GLU 77 CO 0.50 -0.94 0.66 -0.65 -0.54 0.00 0.00 175.26 174.28 1xmq s GLN 78 N -3.83 4.18 -0.04 4.30 -1.52 -1.26 -1.15 119.66 120.34 1xmq s GLN 78 Ca 0.67 0.76 -0.22 0.00 -1.95 0.00 0.00 55.36 54.62 1xmq s GLN 78 Cb -0.19 -2.95 -0.30 0.00 -0.22 0.00 0.00 33.01 29.35 1xmq s GLN 78 CO 0.35 0.45 0.92 0.28 -0.25 0.00 0.00 175.29 177.04 1xmq h VAL 79 N 2.86 1.51 -3.36 1.09 2.07 -1.91 -3.39 116.25 115.14 1xmq h VAL 79 Ca -0.48 -2.46 -0.76 0.00 0.82 0.00 0.00 66.70 63.81 1xmq h VAL 79 Cb 1.20 3.13 -0.23 0.00 -1.52 0.00 0.00 31.29 33.86 1xmq h VAL 79 CO 0.65 0.70 0.36 -0.63 0.02 0.00 0.00 177.57 178.67 1xmq s ILE 80 N -2.53 5.36 -0.06 4.57 1.01 -1.26 -4.89 121.20 123.40 1xmq s ILE 80 Ca -0.14 -2.26 -0.23 0.00 0.00 0.00 0.00 60.65 58.02 1xmq s ILE 80 Cb 0.01 -4.58 -0.18 0.00 0.01 0.00 0.00 42.46 37.72 1xmq s ILE 80 CO 0.82 -1.19 0.94 0.45 0.00 0.00 0.00 174.94 175.96 1xmq h HIS 81 N 8.02 -0.11 -4.36 3.97 3.86 -1.62 -3.46 115.15 121.45 1xmq h HIS 81 Ca 0.13 -0.00 -0.70 0.00 -1.16 0.00 0.00 60.37 58.64 1xmq h HIS 81 Cb 1.02 0.04 -0.27 0.00 1.06 0.00 0.00 27.41 29.26 1xmq h HIS 81 CO 1.06 0.42 -0.88 -1.58 0.86 0.00 0.00 177.93 177.82 1xmq s HIS 82 N -3.40 2.34 -0.29 2.45 5.65 -1.15 -5.01 115.29 115.88 1xmq s HIS 82 Ca -0.14 -0.41 -0.00 0.00 0.25 0.00 0.00 55.06 54.76 1xmq s HIS 82 Cb 0.00 -1.42 0.19 0.00 -1.18 0.00 0.00 32.58 30.17 1xmq s HIS 82 CO 0.55 0.09 0.71 -1.50 -0.65 0.00 0.00 174.74 173.94 1xmq s ILE 83 N -0.76 -0.82 -0.03 0.89 2.07 -1.26 -1.17 121.20 120.11 1xmq s ILE 83 Ca 0.11 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.39 1xmq s ILE 83 Cb -0.10 -0.88 -0.00 0.00 0.13 0.00 0.00 42.46 41.61 1xmq s ILE 83 CO 0.01 0.00 -0.12 -0.60 -1.91 0.00 0.00 174.94 172.33 1xmq s ARG 84 N 2.87 1.21 0.35 3.50 3.52 -0.49 -4.91 118.95 125.00 1xmq s ARG 84 Ca 0.15 -0.41 -0.28 0.00 -0.13 0.00 0.00 55.73 55.05 1xmq s ARG 84 Cb -0.10 -1.10 -0.10 0.00 -1.56 0.00 0.00 34.95 32.09 1xmq s ARG 84 CO -0.23 0.17 1.27 1.03 -0.81 0.00 0.00 175.30 176.73 1xmq s ARG 85 N 0.08 4.27 -0.02 5.12 0.52 -1.26 -1.37 118.95 126.29 1xmq s ARG 85 Ca -0.02 2.12 -0.04 0.00 -0.52 0.00 0.00 55.73 57.27 1xmq s ARG 85 Cb -0.09 -2.97 -0.01 0.00 0.52 0.00 0.00 34.95 32.40 1xmq s ARG 85 CO 0.01 -0.23 -0.07 -0.89 0.02 0.00 0.00 175.30 174.14 1xmq n ILE 86 N 0.61 0.52 -2.64 1.52 5.41 -0.55 -4.91 119.36 119.32 1xmq n ILE 86 Ca 0.01 0.27 -0.39 0.00 1.00 0.00 0.00 62.75 63.64 1xmq n ILE 86 Cb 0.43 -1.55 -0.05 0.00 -0.71 0.00 0.00 39.64 37.76 1xmq n ILE 86 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1xmq s SER 87 N -5.01 7.33 0.01 4.38 0.15 -1.09 -4.80 113.70 114.67 1xmq s SER 87 Ca -0.06 2.04 -0.11 0.00 0.70 0.00 0.00 55.95 58.52 1xmq s SER 87 Cb 0.01 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.72 1xmq s SER 87 CO 0.09 -0.08 0.22 -0.54 1.20 0.00 0.00 173.24 174.13 1xmq s LYS 88 N -1.64 0.61 0.30 5.44 1.02 -0.61 -4.87 119.74 120.00 1xmq s LYS 88 Ca 0.46 -0.37 -0.30 0.00 0.02 0.00 0.00 55.97 55.79 1xmq s LYS 88 Cb -0.26 0.26 -0.12 0.00 -0.52 0.00 0.00 37.83 37.20 1xmq s LYS 88 CO 0.33 -0.16 1.55 -0.35 -0.92 0.00 0.00 175.35 175.80 1xmq n PRO 89 N 1.20 2.62 -1.46 -1.68 -0.04 -1.26 -1.80 135.00 132.57 1xmq n PRO 89 Ca -0.21 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 1xmq n PRO 89 Cb 0.56 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1xmq n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xmq n GLY 90 N 1.88 0.91 0.00 0.55 0.00 -1.26 -4.87 105.19 102.41 1xmq n GLY 90 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1xmq n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xmq n ARG 91 N -1.45 0.00 -2.52 1.61 0.00 -0.75 -5.11 116.66 108.44 1xmq n ARG 91 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.45 1xmq n ARG 91 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.90 1xmq n ARG 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1xmq s ARG 92 N -0.91 4.68 -0.20 -0.14 6.06 -0.98 -1.57 118.95 125.88 1xmq s ARG 92 Ca 0.00 1.75 0.01 0.00 -2.50 0.00 0.00 55.73 54.99 1xmq s ARG 92 Cb 0.00 -3.20 0.04 0.00 0.06 0.00 0.00 34.95 31.84 1xmq s ARG 92 CO 0.00 0.27 -0.15 0.08 -2.50 0.00 0.00 175.30 173.00 1xmq s VAL 93 N -1.17 1.96 0.29 7.11 1.01 -1.26 -4.87 120.40 123.47 1xmq s VAL 93 Ca 0.44 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 61.37 1xmq s VAL 93 Cb -0.31 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1xmq s VAL 93 CO 0.39 0.29 0.14 -0.31 0.00 0.00 0.00 175.10 175.61 1xmq s TYR 94 N 1.28 2.85 -0.01 5.22 1.51 -1.26 -0.43 117.35 126.50 1xmq s TYR 94 Ca -0.00 -0.25 -0.19 0.00 -1.01 0.00 0.00 57.07 55.62 1xmq s TYR 94 Cb -0.16 -1.46 0.04 0.00 -0.11 0.00 0.00 41.96 40.27 1xmq s TYR 94 CO -0.10 0.45 0.42 0.14 -1.11 0.00 0.00 175.55 175.35 1xmq s VAL 95 N -2.30 0.04 0.57 0.71 -7.23 -0.34 -4.84 120.40 107.01 1xmq s VAL 95 Ca 0.35 -0.37 -0.07 0.00 -1.81 0.00 0.00 61.98 60.08 1xmq s VAL 95 Cb -0.06 -0.79 -0.01 0.00 0.56 0.00 0.00 36.38 36.09 1xmq s VAL 95 CO 0.23 -0.20 0.90 -0.83 -0.31 0.00 0.00 175.10 174.89 1xmq s GLY 96 N -1.46 1.58 0.45 2.32 0.00 -1.26 -2.46 107.32 106.49 1xmq s GLY 96 Ca -0.11 -0.51 0.15 0.00 0.00 0.00 0.00 44.72 44.25 1xmq s GLY 96 CO 0.04 -0.26 2.00 -0.24 0.00 0.00 0.00 173.10 174.64 1xmq h VAL 97 N -0.11 0.90 0.00 1.40 3.04 -1.90 0.77 116.25 120.34 1xmq h VAL 97 Ca -0.46 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 1xmq h VAL 97 Cb 1.23 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 1xmq h VAL 97 CO 0.61 0.06 0.00 0.07 -1.01 0.00 0.00 177.57 177.30 1xmq h LYS 98 N 0.33 0.00 -0.50 4.17 2.10 -1.97 -3.12 116.57 117.58 1xmq h LYS 98 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1xmq h LYS 98 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1xmq h LYS 98 CO -0.06 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.78 1xmq n GLU 99 N -2.64 3.62 -2.63 0.07 1.02 0.26 -4.97 120.64 115.36 1xmq n GLU 99 Ca 0.03 -2.81 -0.41 0.00 -0.02 0.00 0.00 57.16 53.95 1xmq n GLU 99 Cb 0.36 -1.86 -0.04 0.00 -0.02 0.00 0.00 31.44 29.89 1xmq n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xmq s ILE 100 N -2.12 4.42 0.49 -3.67 1.01 -0.94 -4.65 121.20 115.73 1xmq s ILE 100 Ca 0.46 1.88 -0.19 0.00 0.00 0.00 0.00 60.65 62.80 1xmq s ILE 100 Cb 0.32 -4.20 -0.08 0.00 0.01 0.00 0.00 42.46 38.50 1xmq s ILE 100 CO 0.18 0.23 1.01 -2.16 0.00 0.00 0.00 174.94 174.20 1xmq s PRO 101 N 0.41 3.86 -1.09 2.79 0.04 -1.26 -5.01 135.00 134.74 1xmq s PRO 101 Ca 0.51 1.23 -0.07 0.00 0.04 0.00 0.00 61.00 62.71 1xmq s PRO 101 Cb -0.25 -2.11 0.28 0.00 0.04 0.00 0.00 34.50 32.46 1xmq s PRO 101 CO 0.30 -0.36 1.18 0.54 0.04 0.00 0.00 177.00 178.69 1xmq n ARG 102 N -1.10 3.69 -1.45 4.56 1.74 -1.26 -4.88 116.66 117.96 1xmq n ARG 102 Ca 0.08 -4.49 -0.48 0.00 -0.77 0.00 0.00 57.85 52.20 1xmq n ARG 102 Cb 0.53 -2.53 -0.08 0.00 -1.02 0.00 0.00 32.46 29.36 1xmq n ARG 102 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1xmq n VAL 103 N 2.30 0.09 -3.31 1.55 0.31 -1.26 -3.09 118.33 114.92 1xmq n VAL 103 Ca 0.24 -0.27 -0.10 0.00 -0.01 0.00 0.00 64.34 64.20 1xmq n VAL 103 Cb 0.37 -1.50 0.01 0.00 -0.91 0.00 0.00 33.84 31.81 1xmq n VAL 103 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1xmq n ARG 104 N 8.31 -1.45 -2.75 5.55 5.12 -1.26 -1.83 116.66 128.35 1xmq n ARG 104 Ca 0.46 1.16 -0.17 0.00 -1.93 0.00 0.00 57.85 57.37 1xmq n ARG 104 Cb 0.22 -4.83 -0.03 0.00 -1.16 0.00 0.00 32.46 26.65 1xmq n ARG 104 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1xmq n ARG 105 N -2.37 -1.23 0.00 5.56 3.00 -1.18 0.96 116.66 121.40 1xmq n ARG 105 Ca -0.09 0.06 0.00 0.00 -0.01 0.00 0.00 57.85 57.81 1xmq n ARG 105 Cb 0.56 -2.63 0.00 0.00 0.00 0.00 0.00 32.46 30.39 1xmq n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xmq n GLY 106 N -0.66 3.19 0.00 -0.13 0.00 -1.06 -4.88 105.19 101.65 1xmq n GLY 106 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1xmq n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xmq n LEU 107 N 0.00 0.00 -4.50 0.99 4.77 0.27 -4.74 117.00 113.79 1xmq n LEU 107 Ca 0.00 0.19 -0.25 0.00 -0.03 0.00 0.00 56.01 55.92 1xmq n LEU 107 Cb 0.00 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1xmq n LEU 107 CO 0.00 -0.10 -0.18 -0.83 -1.33 0.00 0.00 177.39 174.96 1xmq s GLY 108 N -2.38 2.64 0.33 -0.72 0.00 -0.76 -4.90 107.32 101.53 1xmq s GLY 108 Ca 0.17 -1.27 0.03 0.00 0.00 0.00 0.00 44.72 43.66 1xmq s GLY 108 CO 0.21 -1.80 0.09 -0.26 0.00 0.00 0.00 173.10 171.34 1xmq s ILE 109 N -3.22 0.88 -0.09 0.90 -4.36 0.84 -4.61 121.20 111.54 1xmq s ILE 109 Ca 0.24 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.60 1xmq s ILE 109 Cb 0.02 -2.64 0.05 0.00 1.25 0.00 0.00 42.46 41.13 1xmq s ILE 109 CO 0.16 0.00 0.14 0.00 0.24 0.00 0.00 174.94 175.48 1xmq s ALA 110 N -3.38 -0.07 -0.41 2.27 0.00 -1.26 -1.75 121.76 117.16 1xmq s ALA 110 Ca 0.34 0.42 -0.21 0.00 0.00 0.00 0.00 51.96 52.51 1xmq s ALA 110 Cb 0.07 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.37 1xmq s ALA 110 CO 0.15 -0.63 0.65 0.42 0.00 0.00 0.00 175.76 176.35 1xmq s ILE 111 N 2.27 4.83 0.18 0.00 1.01 -0.98 -0.84 121.20 127.67 1xmq s ILE 111 Ca 0.04 0.32 0.09 0.00 0.00 0.00 0.00 60.65 61.09 1xmq s ILE 111 Cb -0.12 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 1xmq s ILE 111 CO -0.06 -0.50 -0.08 -1.48 0.00 0.00 0.00 174.94 172.81 1xmq s LEU 112 N 2.82 3.01 -0.25 2.97 2.34 -1.05 -1.20 118.68 127.32 1xmq s LEU 112 Ca 0.24 -0.56 -0.08 0.00 0.06 0.00 0.00 54.13 53.79 1xmq s LEU 112 Cb -0.14 -1.69 -0.03 0.00 -0.56 0.00 0.00 46.19 43.77 1xmq s LEU 112 CO 0.18 0.10 0.08 -0.55 -1.06 0.00 0.00 176.35 175.09 1xmq s SER 113 N -2.86 5.18 0.43 1.48 0.15 0.08 -1.38 113.70 116.78 1xmq s SER 113 Ca 0.25 -0.20 0.06 0.00 0.70 0.00 0.00 55.95 56.77 1xmq s SER 113 Cb -0.09 -1.93 -0.06 0.00 -1.71 0.00 0.00 66.02 62.23 1xmq s SER 113 CO 0.16 -0.04 0.04 0.42 1.20 0.00 0.00 173.24 175.02 1xmq s THR 114 N 1.62 1.88 -0.15 6.45 -4.23 0.19 -1.45 115.64 119.94 1xmq s THR 114 Ca 0.06 -1.95 0.28 0.00 -1.18 0.00 0.00 61.69 58.90 1xmq s THR 114 Cb -0.15 -2.83 0.30 0.00 1.34 0.00 0.00 72.50 71.16 1xmq s THR 114 CO 0.04 0.00 1.84 0.77 -0.54 0.00 0.00 174.62 176.73 1xmq h SER 115 N 1.63 0.00 -0.52 3.99 4.64 -1.95 0.28 113.55 121.61 1xmq h SER 115 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1xmq h SER 115 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1xmq h SER 115 CO 0.78 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 177.03 1xmq n LYS 116 N -2.53 2.85 0.00 4.77 5.02 -1.26 -5.04 118.16 121.96 1xmq n LYS 116 Ca 0.00 -2.15 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 1xmq n LYS 116 Cb 0.18 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 1xmq n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xmq n GLY 117 N 1.10 -3.84 3.72 0.72 0.00 0.97 -4.97 105.19 102.89 1xmq n GLY 117 Ca 0.20 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 1xmq n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xmq s VAL 118 N -0.79 4.65 -0.14 1.61 1.01 -1.26 -0.64 120.40 124.84 1xmq s VAL 118 Ca 0.00 2.07 -0.29 0.00 0.00 0.00 0.00 61.98 63.76 1xmq s VAL 118 Cb 0.00 -4.32 0.08 0.00 0.00 0.00 0.00 36.38 32.13 1xmq s VAL 118 CO 0.00 0.25 0.73 -1.48 0.00 0.00 0.00 175.10 174.60 1xmq s LEU 119 N 0.42 -0.66 0.75 3.92 2.34 -0.48 -4.95 118.68 120.01 1xmq s LEU 119 Ca 0.49 0.96 -0.15 0.00 0.06 0.00 0.00 54.13 55.49 1xmq s LEU 119 Cb -0.22 2.45 0.03 0.00 -0.56 0.00 0.00 46.19 47.88 1xmq s LEU 119 CO 0.29 -0.45 0.99 0.35 -1.06 0.00 0.00 176.35 176.47 1xmq n THR 120 N 1.57 2.47 -0.30 5.48 -2.24 -1.26 -2.53 114.28 117.48 1xmq n THR 120 Ca -0.16 -0.32 0.23 0.00 -2.27 0.00 0.00 64.05 61.52 1xmq n THR 120 Cb 0.56 -1.09 0.53 0.00 -2.10 0.00 0.00 70.33 68.23 1xmq n THR 120 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1xmq h ASP 121 N -0.48 0.40 0.43 3.42 2.03 -1.34 0.11 116.42 120.99 1xmq h ASP 121 Ca -0.47 0.06 -0.02 0.00 -0.73 0.00 0.00 57.03 55.87 1xmq h ASP 121 Cb 1.32 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 1xmq h ASP 121 CO 0.46 0.10 -0.21 0.03 -1.03 0.00 0.00 179.24 178.59 1xmq h ARG 122 N 0.37 -0.56 -0.79 4.15 2.47 -1.88 -0.05 114.38 118.09 1xmq h ARG 122 Ca 0.55 0.04 0.03 0.00 -1.26 0.00 0.00 59.98 59.34 1xmq h ARG 122 Cb 1.46 0.13 -0.05 0.00 -1.65 0.00 0.00 29.97 29.87 1xmq h ARG 122 CO -0.24 -0.34 0.51 0.93 0.56 0.00 0.00 179.97 181.39 1xmq h GLU 123 N -0.65 0.97 -0.57 0.04 5.08 -1.37 -1.25 114.58 116.83 1xmq h GLU 123 Ca -0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1xmq h GLU 123 Cb 0.49 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1xmq h GLU 123 CO 0.10 0.64 0.37 0.00 -1.00 0.00 0.00 179.01 179.12 1xmq h ALA 124 N 1.32 0.73 -0.49 3.43 0.00 -0.65 -1.39 119.26 122.20 1xmq h ALA 124 Ca 0.31 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1xmq h ALA 124 Cb -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1xmq h ALA 124 CO -0.10 0.18 0.06 -0.09 0.00 0.00 0.00 179.25 179.30 1xmq h ARG 125 N 0.78 0.78 0.00 0.00 2.43 -0.56 0.39 114.38 118.20 1xmq h ARG 125 Ca 0.21 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1xmq h ARG 125 Cb -0.07 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 1xmq h ARG 125 CO -0.04 0.75 0.00 1.17 -1.51 0.00 0.00 179.97 180.34 1xmq n LYS 126 N -4.25 0.00 0.11 0.20 4.81 -0.51 -1.55 118.16 116.97 1xmq n LYS 126 Ca 0.03 0.53 0.08 0.00 -0.87 0.00 0.00 58.31 58.08 1xmq n LYS 126 Cb 0.26 -1.43 0.40 0.00 0.02 0.00 0.00 35.03 34.28 1xmq n LYS 126 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1xmq n LEU 127 N -1.97 0.38 -2.99 3.14 4.77 -0.66 -4.86 117.00 114.81 1xmq n LEU 127 Ca 0.00 0.67 -0.13 0.00 -0.03 0.00 0.00 56.01 56.51 1xmq n LEU 127 Cb 0.00 -0.70 0.07 0.00 -2.33 0.00 0.00 43.42 40.46 1xmq n LEU 127 CO 0.00 -0.76 0.05 0.61 -1.33 0.00 0.00 177.39 175.97 1xmq n GLY 128 N -1.19 -0.56 3.20 -0.72 0.00 0.12 -5.04 105.19 101.00 1xmq n GLY 128 Ca -0.01 0.25 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 1xmq n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xmq s VAL 129 N -3.31 -0.03 0.00 1.61 -7.23 -0.43 -4.90 120.40 106.11 1xmq s VAL 129 Ca 0.21 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 1xmq s VAL 129 Cb -0.03 -0.53 0.00 0.00 0.56 0.00 0.00 36.38 36.38 1xmq s VAL 129 CO 0.61 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 176.06 1xmq n GLY 130 N 4.11 0.72 0.00 2.32 0.00 -1.26 -4.69 105.19 106.38 1xmq n GLY 130 Ca -0.23 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1xmq n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmq n GLY 131 N 5.00 -0.77 3.62 -0.02 0.00 -1.03 -4.58 105.19 107.42 1xmq n GLY 131 Ca 0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1xmq n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xmq s GLU 132 N -0.34 4.03 -0.61 1.61 2.12 -0.53 -1.20 118.70 123.78 1xmq s GLU 132 Ca 0.00 0.75 -0.27 0.00 0.36 0.00 0.00 54.97 55.81 1xmq s GLU 132 Cb 0.00 -3.71 -0.01 0.00 0.26 0.00 0.00 34.13 30.67 1xmq s GLU 132 CO 0.00 -0.67 1.76 -1.17 -0.54 0.00 0.00 175.26 174.64 1xmq s LEU 133 N 3.03 3.29 -0.00 2.70 0.20 0.43 -0.74 118.68 127.59 1xmq s LEU 133 Ca 0.35 0.30 -0.01 0.00 0.69 0.00 0.00 54.13 55.46 1xmq s LEU 133 Cb -0.14 -2.63 -0.01 0.00 -0.43 0.00 0.00 46.19 42.99 1xmq s LEU 133 CO 0.12 -2.23 0.56 0.40 -0.29 0.00 0.00 176.35 174.90 1xmq h ILE 134 N 6.75 0.00 -4.59 6.68 2.04 -1.44 -2.88 117.51 124.07 1xmq h ILE 134 Ca -0.27 -0.02 -0.45 0.00 1.00 0.00 0.00 64.86 65.12 1xmq h ILE 134 Cb 1.14 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.11 1xmq h ILE 134 CO 1.21 0.00 -0.41 0.00 0.00 0.00 0.00 178.15 178.95 1xmq s GLU 136 N -3.27 0.47 -0.18 0.00 2.12 -0.47 -2.33 118.70 115.04 1xmq s GLU 136 Ca 0.29 -0.46 -0.09 0.00 0.36 0.00 0.00 54.97 55.07 1xmq s GLU 136 Cb 0.01 -0.35 0.06 0.00 0.26 0.00 0.00 34.13 34.12 1xmq s GLU 136 CO 0.20 0.08 0.42 0.08 -0.54 0.00 0.00 175.26 175.50 1xmq s VAL 137 N -0.72 -0.13 0.00 3.70 1.01 -0.72 -1.40 120.40 122.14 1xmq s VAL 137 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1xmq s VAL 137 Cb -0.06 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.69 1xmq s VAL 137 CO 0.00 0.04 0.00 -2.67 0.00 0.00 0.00 175.10 172.47