#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mtq h LEU -4 N 0.00 0.00 -7.88 1.20 4.07 -2.08 -3.42 115.31 107.20 3mtq h LEU -4 Ca 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.80 3mtq h LEU -4 Cb 0.00 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 41.53 3mtq h LEU -4 CO 0.00 0.21 -0.62 -0.72 -1.08 0.00 0.00 178.44 176.23 3mtq s TYR -3 N -4.44 0.16 0.00 1.13 1.13 -1.26 -5.16 117.35 108.92 3mtq s TYR -3 Ca -0.03 -0.35 -0.29 0.00 -1.41 0.00 0.00 57.07 54.99 3mtq s TYR -3 Cb 0.15 -0.13 0.10 0.00 -1.10 0.00 0.00 41.96 40.98 3mtq s TYR -3 CO 0.68 -0.22 1.02 -0.59 -2.51 0.00 0.00 175.55 173.93 3mtq s PHE -2 N -1.36 -0.21 0.40 -3.49 -0.12 -1.26 -5.16 117.98 106.78 3mtq s PHE -2 Ca -0.15 0.05 -0.24 0.00 -0.05 0.00 0.00 56.93 56.55 3mtq s PHE -2 Cb -0.09 0.56 -0.09 0.00 -0.63 0.00 0.00 43.02 42.77 3mtq s PHE -2 CO 0.00 -0.52 1.01 -1.14 -0.05 0.00 0.00 175.22 174.51 3mtq s GLN -1 N -2.95 4.24 3.81 1.99 0.74 -1.26 -5.11 119.66 121.12 3mtq s GLN -1 Ca 0.09 1.38 0.00 0.00 0.05 0.00 0.00 55.36 56.88 3mtq s GLN -1 Cb -0.00 -2.49 0.00 0.00 1.10 0.00 0.00 33.01 31.62 3mtq s GLN -1 CO -0.05 -0.05 0.00 0.41 -0.55 0.00 0.00 175.29 175.05 3mtq n GLY 0 N 0.14 0.54 2.80 2.59 0.00 -1.26 -5.24 105.19 104.77 3mtq n GLY 0 Ca 0.05 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 3mtq n GLY 0 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mtq s LYS 2 N 0.00 -0.03 -0.17 1.61 2.20 -1.26 -5.11 119.74 116.98 3mtq s LYS 2 Ca 0.00 0.13 -0.02 0.00 -0.36 0.00 0.00 55.97 55.72 3mtq s LYS 2 Cb 0.00 -0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.14 3mtq s LYS 2 CO 0.00 -0.12 -0.08 0.50 -0.36 0.00 0.00 175.35 175.29 3mtq s ARG 3 N 0.73 3.41 0.05 4.03 3.52 -1.26 -0.45 118.95 128.98 3mtq s ARG 3 Ca -0.06 -0.64 0.07 0.00 -0.13 0.00 0.00 55.73 54.97 3mtq s ARG 3 Cb -0.09 -2.82 -0.03 0.00 -1.56 0.00 0.00 34.95 30.45 3mtq s ARG 3 CO -0.02 0.04 -0.17 -1.01 -0.81 0.00 0.00 175.30 173.33 3mtq s HIS 4 N 0.83 2.58 -0.02 5.12 3.76 0.73 -4.96 115.29 123.34 3mtq s HIS 4 Ca -0.03 -0.24 0.07 0.00 -0.15 0.00 0.00 55.06 54.71 3mtq s HIS 4 Cb -0.15 -1.46 -0.02 0.00 1.11 0.00 0.00 32.58 32.06 3mtq s HIS 4 CO 0.01 0.28 -0.23 0.71 -0.85 0.00 0.00 174.74 174.66 3mtq s TYR 5 N -0.96 2.43 -0.12 1.40 2.02 -0.10 -0.74 117.35 121.29 3mtq s TYR 5 Ca 0.15 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.52 3mtq s TYR 5 Cb -0.11 -1.53 0.01 0.00 -0.40 0.00 0.00 41.96 39.94 3mtq s TYR 5 CO 0.06 0.03 -0.19 0.42 -1.57 0.00 0.00 175.55 174.31 3mtq s ILE 6 N -0.66 1.79 -0.25 2.71 1.01 -0.22 -0.20 121.20 125.39 3mtq s ILE 6 Ca 0.11 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.82 3mtq s ILE 6 Cb -0.10 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 3mtq s ILE 6 CO -0.00 0.50 0.22 -0.36 0.00 0.00 0.00 174.94 175.30 3mtq s PHE 7 N 0.90 3.29 -0.12 3.97 0.08 0.07 -0.17 117.98 126.00 3mtq s PHE 7 Ca -0.07 0.27 0.01 0.00 0.12 0.00 0.00 56.93 57.26 3mtq s PHE 7 Cb -0.15 -2.37 0.02 0.00 -0.57 0.00 0.00 43.02 39.94 3mtq s PHE 7 CO -0.02 -0.04 -0.15 0.00 -0.10 0.00 0.00 175.22 174.90 3mtq s ALA 8 N 1.41 1.78 0.06 5.36 0.00 0.17 0.37 121.76 130.92 3mtq s ALA 8 Ca 0.10 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 3mtq s ALA 8 Cb -0.15 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 3mtq s ALA 8 CO 0.07 -0.17 0.08 -1.54 0.00 0.00 0.00 175.76 174.20 3mtq s SER 9 N 1.14 0.27 0.00 0.00 1.04 -0.40 -0.69 113.70 115.06 3mtq s SER 9 Ca -0.03 -0.75 -0.30 0.00 0.48 0.00 0.00 55.95 55.36 3mtq s SER 9 Cb -0.14 0.25 -0.07 0.00 0.10 0.00 0.00 66.02 66.16 3mtq s SER 9 CO -0.05 -0.62 1.73 -1.00 0.98 0.00 0.00 173.24 174.29 3mtq s HIS 10 N -3.51 1.93 0.00 5.02 3.76 -1.26 -0.55 115.29 120.68 3mtq s HIS 10 Ca 0.03 0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.01 3mtq s HIS 10 Cb 0.04 -4.01 0.00 0.00 1.11 0.00 0.00 32.58 29.73 3mtq s HIS 10 CO -0.09 -4.26 0.00 0.41 -0.85 0.00 0.00 174.74 169.95 3mtq n GLY 11 N 4.19 -1.11 0.36 -2.22 0.00 0.61 -4.13 105.19 102.88 3mtq n GLY 11 Ca 0.17 -1.20 0.10 0.00 0.00 0.00 0.00 46.02 45.10 3mtq n GLY 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mtq n SER 12 N -0.79 1.07 -0.27 1.61 3.41 -1.26 -4.14 113.62 113.26 3mtq n SER 12 Ca 0.00 -1.61 -0.02 0.00 -0.26 0.00 0.00 58.87 56.99 3mtq n SER 12 Cb 0.00 -0.07 0.05 0.00 -0.26 0.00 0.00 64.21 63.93 3mtq n SER 12 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3mtq h PHE 13 N 1.43 -0.77 -0.65 7.33 3.57 -1.92 -1.40 116.94 124.53 3mtq h PHE 13 Ca 0.00 0.08 0.10 0.00 3.53 0.00 0.00 57.97 61.68 3mtq h PHE 13 Cb 0.31 0.45 -0.08 0.00 2.79 0.00 0.00 35.95 39.42 3mtq h PHE 13 CO 0.07 -0.37 0.25 0.00 -2.23 0.00 0.00 178.31 176.03 3mtq h ALA 14 N 1.37 0.86 -0.53 2.41 0.00 -1.88 0.22 119.26 121.72 3mtq h ALA 14 Ca 0.31 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.20 3mtq h ALA 14 Cb 0.57 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3mtq h ALA 14 CO -0.79 -0.18 -0.09 -0.91 0.00 0.00 0.00 179.25 177.27 3mtq h ASN 15 N 0.44 1.00 -0.76 0.00 4.21 -1.63 -2.08 115.58 116.76 3mtq h ASN 15 Ca 0.33 -0.35 -0.00 0.00 1.21 0.00 0.00 56.30 57.49 3mtq h ASN 15 Cb 0.43 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 37.32 3mtq h ASN 15 CO -0.32 1.11 0.46 1.23 -1.29 0.00 0.00 177.43 178.61 3mtq h GLY 16 N 0.87 1.10 0.95 2.83 0.00 -0.26 -1.32 103.07 107.23 3mtq h GLY 16 Ca 0.14 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 3mtq h GLY 16 CO 0.05 0.44 0.11 -2.00 0.00 0.00 0.00 176.54 175.14 3mtq h LEU 17 N 1.03 0.64 -1.30 3.11 5.85 -0.97 -2.35 115.31 121.33 3mtq h LEU 17 Ca 0.27 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.83 3mtq h LEU 17 Cb -0.04 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 3mtq h LEU 17 CO -0.05 0.69 0.51 0.25 -0.34 0.00 0.00 178.44 179.50 3mtq h LEU 18 N 0.55 0.76 -0.35 2.25 5.85 -1.17 -1.66 115.31 121.53 3mtq h LEU 18 Ca 0.13 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3mtq h LEU 18 Cb 0.30 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3mtq h LEU 18 CO -0.00 0.49 0.16 -1.13 -0.34 0.00 0.00 178.44 177.63 3mtq h ASN 19 N 0.86 0.23 -0.23 1.25 -0.00 -0.76 -1.26 115.58 115.67 3mtq h ASN 19 Ca 0.33 0.02 0.04 0.00 -0.00 0.00 0.00 56.30 56.69 3mtq h ASN 19 Cb 0.20 -0.02 -0.04 0.00 -0.00 0.00 0.00 38.32 38.46 3mtq h ASN 19 CO -0.11 0.17 -0.00 0.28 -0.00 0.00 0.00 177.43 177.77 3mtq h SER 20 N 0.34 -0.10 -0.73 1.15 0.02 -0.85 -1.38 113.55 112.00 3mtq h SER 20 Ca 0.15 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3mtq h SER 20 Cb 0.07 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 3mtq h SER 20 CO -0.11 -0.02 0.47 0.58 -1.14 0.00 0.00 176.83 176.61 3mtq h VAL 21 N 0.07 1.20 0.00 2.27 2.07 -1.14 -2.17 116.25 118.54 3mtq h VAL 21 Ca 0.11 -0.38 -0.16 0.00 0.82 0.00 0.00 66.70 67.09 3mtq h VAL 21 Cb 0.14 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 3mtq h VAL 21 CO -0.19 0.19 -0.77 -0.33 0.02 0.00 0.00 177.57 176.49 3mtq h GLU 22 N 1.00 0.00 0.00 1.57 5.08 -0.92 0.30 114.58 121.60 3mtq h GLU 22 Ca 0.27 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 3mtq h GLU 22 Cb -0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3mtq h GLU 22 CO -0.06 0.77 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.41 3mtq h LEU 23 N 0.00 0.00 0.02 1.33 3.38 -1.00 -1.03 115.31 118.01 3mtq h LEU 23 Ca -0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.67 3mtq h LEU 23 Cb 1.38 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.09 3mtq h LEU 23 CO 0.10 0.25 -1.61 -0.38 0.09 0.00 0.00 178.44 176.89 3mtq n ILE 24 N -4.04 1.58 -0.11 1.22 5.41 -0.84 -4.65 119.36 117.92 3mtq n ILE 24 Ca -0.02 -0.21 0.05 0.00 1.00 0.00 0.00 62.75 63.57 3mtq n ILE 24 Cb 0.31 -1.95 0.12 0.00 -0.71 0.00 0.00 39.64 37.42 3mtq n ILE 24 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3mtq n LEU 25 N -4.20 2.70 -0.08 1.39 4.77 0.10 -5.10 117.00 116.58 3mtq n LEU 25 Ca -0.36 -1.93 0.01 0.00 -0.03 0.00 0.00 56.01 53.70 3mtq n LEU 25 Cb 0.79 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3mtq n LEU 25 CO 0.21 0.67 -0.02 0.61 -1.33 0.00 0.00 177.39 177.53 3mtq n GLY 26 N 0.35 -1.85 3.63 -0.72 0.00 -0.39 -4.96 105.19 101.25 3mtq n GLY 26 Ca 0.09 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 3mtq n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mtq n LYS 27 N -2.33 1.58 -3.92 1.61 5.02 -1.26 -4.29 118.16 114.57 3mtq n LYS 27 Ca -0.00 0.56 -0.29 0.00 -2.02 0.00 0.00 58.31 56.55 3mtq n LYS 27 Cb 0.04 -2.05 -0.13 0.00 -0.02 0.00 0.00 35.03 32.87 3mtq n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3mtq s GLN 28 N -1.80 2.20 0.56 1.97 -1.52 -1.26 -4.95 119.66 114.86 3mtq s GLN 28 Ca 0.59 -2.93 0.27 0.00 -1.95 0.00 0.00 55.36 51.34 3mtq s GLN 28 Cb -0.62 -3.38 1.62 0.00 -0.22 0.00 0.00 33.01 30.42 3mtq s GLN 28 CO 0.60 -1.18 2.18 -1.00 -0.25 0.00 0.00 175.29 175.64 3mtq h PRO 29 N 6.05 0.00 -0.66 2.91 0.13 -2.03 -2.59 132.00 135.81 3mtq h PRO 29 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3mtq h PRO 29 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3mtq h PRO 29 CO 0.70 0.04 0.00 -0.25 -0.23 0.00 0.00 178.00 178.27 3mtq n ASP 30 N -3.90 4.63 -4.57 1.44 8.00 -1.26 -4.83 116.55 116.07 3mtq n ASP 30 Ca -0.03 -2.37 -0.36 0.00 0.71 0.00 0.00 54.79 52.74 3mtq n ASP 30 Cb 0.13 -0.56 -0.11 0.00 -0.02 0.00 0.00 41.12 40.56 3mtq n ASP 30 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3mtq s ILE 31 N -1.70 4.78 0.08 0.53 1.01 -0.98 -0.92 121.20 123.99 3mtq s ILE 31 Ca 0.51 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.20 3mtq s ILE 31 Cb 0.32 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 3mtq s ILE 31 CO 0.26 0.37 -0.10 -1.00 0.00 0.00 0.00 174.94 174.48 3mtq s HIS 32 N 1.09 2.76 -0.02 3.97 3.76 0.73 -4.99 115.29 122.58 3mtq s HIS 32 Ca 0.05 -0.14 0.07 0.00 -0.15 0.00 0.00 55.06 54.89 3mtq s HIS 32 Cb -0.14 -1.47 -0.02 0.00 1.11 0.00 0.00 32.58 32.06 3mtq s HIS 32 CO 0.04 0.40 -0.22 0.95 -0.85 0.00 0.00 174.74 175.06 3mtq s THR 33 N -1.15 2.40 -0.23 1.30 -4.23 -1.26 -0.75 115.64 111.72 3mtq s THR 33 Ca 0.20 -1.01 -0.00 0.00 -1.18 0.00 0.00 61.69 59.70 3mtq s THR 33 Cb -0.11 -1.88 0.03 0.00 1.34 0.00 0.00 72.50 71.88 3mtq s THR 33 CO 0.12 0.56 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.43 3mtq s LEU 34 N -0.72 2.93 -0.34 4.79 0.20 0.16 -4.95 118.68 120.75 3mtq s LEU 34 Ca 0.11 -0.87 -0.02 0.00 0.69 0.00 0.00 54.13 54.03 3mtq s LEU 34 Cb -0.10 -1.60 0.07 0.00 -0.43 0.00 0.00 46.19 44.13 3mtq s LEU 34 CO -0.00 -0.10 0.08 0.00 -0.29 0.00 0.00 176.35 176.04 3mtq s ALA 36 N 1.22 3.19 -1.46 0.00 0.00 0.28 -4.09 121.76 120.91 3mtq s ALA 36 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3mtq s ALA 36 Cb -0.21 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3mtq s ALA 36 CO -0.02 0.19 0.00 0.66 0.00 0.00 0.00 175.76 176.59 3mtq n TYR 37 N 0.17 -0.52 0.12 0.00 4.01 -1.26 -0.28 117.16 119.39 3mtq n TYR 37 Ca 0.03 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.88 3mtq n TYR 37 Cb 0.52 -3.11 0.02 0.00 -0.31 0.00 0.00 39.34 36.46 3mtq n TYR 37 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 3mtq h VAL 38 N 0.00 0.03 -3.24 -0.72 -1.51 -1.95 -3.45 116.25 105.42 3mtq h VAL 38 Ca -0.36 -1.06 -0.52 0.00 -1.23 0.00 0.00 66.70 63.53 3mtq h VAL 38 Cb 1.20 1.60 -0.37 0.00 -2.13 0.00 0.00 31.29 31.58 3mtq h VAL 38 CO 0.45 0.02 -0.79 -1.61 -1.23 0.00 0.00 177.57 174.41 3mtq s GLU 39 N -3.32 1.36 0.39 5.19 2.02 -1.26 -5.02 118.70 118.06 3mtq s GLU 39 Ca 0.00 -0.30 0.14 0.00 0.02 0.00 0.00 54.97 54.83 3mtq s GLU 39 Cb 0.09 -1.67 0.97 0.00 0.10 0.00 0.00 34.13 33.62 3mtq s GLU 39 CO 0.78 -0.34 1.88 1.05 0.02 0.00 0.00 175.26 178.64 3mtq h GLU 40 N 8.18 0.51 0.37 1.61 -0.00 -2.03 -3.24 114.58 119.98 3mtq h GLU 40 Ca -0.26 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.36 59.05 3mtq h GLU 40 Cb 1.12 -0.11 -0.00 0.00 -0.00 0.00 0.00 28.75 29.75 3mtq h GLU 40 CO 0.39 0.34 -0.26 1.05 -0.00 0.00 0.00 179.01 180.52 3mtq h GLU 41 N 0.52 -0.58 -6.73 1.06 4.11 -2.01 -3.45 114.58 107.50 3mtq h GLU 41 Ca 0.44 0.04 -0.51 0.00 0.07 0.00 0.00 59.36 59.40 3mtq h GLU 41 Cb 0.91 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3mtq h GLU 41 CO -0.18 -0.39 0.44 0.54 0.07 0.00 0.00 179.01 179.50 3mtq s VAL 42 N -4.51 3.80 0.27 -1.06 0.11 -1.23 -5.05 120.40 112.73 3mtq s VAL 42 Ca -0.10 1.70 -0.00 0.00 -2.93 0.00 0.00 61.98 60.65 3mtq s VAL 42 Cb 0.02 -4.08 -0.04 0.00 -1.53 0.00 0.00 36.38 30.74 3mtq s VAL 42 CO 0.31 0.36 0.46 1.51 -3.33 0.00 0.00 175.10 174.41 3mtq s ASP 43 N -0.63 6.36 -0.09 3.54 -4.77 -1.26 -4.92 116.67 114.89 3mtq s ASP 43 Ca 0.45 0.43 -0.26 0.00 -3.30 0.00 0.00 52.55 49.87 3mtq s ASP 43 Cb -0.29 -2.02 -0.26 0.00 -1.09 0.00 0.00 42.92 39.26 3mtq s ASP 43 CO 0.36 -0.15 0.88 0.25 0.70 0.00 0.00 175.17 177.22 3mtq h LEU 44 N 1.47 0.14 -0.75 2.11 5.85 -1.98 -2.65 115.31 119.49 3mtq h LEU 44 Ca -0.49 -0.91 0.13 0.00 0.84 0.00 0.00 57.88 57.45 3mtq h LEU 44 Cb 1.20 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 42.10 3mtq h LEU 44 CO 0.65 1.04 0.33 0.74 -0.34 0.00 0.00 178.44 180.86 3mtq h THR 45 N -0.73 0.72 -0.30 1.05 2.02 -1.97 0.25 112.91 113.94 3mtq h THR 45 Ca -0.03 -0.17 -0.12 0.00 0.77 0.00 0.00 66.41 66.85 3mtq h THR 45 Cb 1.10 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3mtq h THR 45 CO 0.04 0.09 -0.29 0.06 0.37 0.00 0.00 175.52 175.80 3mtq h GLN 46 N 0.51 0.72 -0.21 6.66 -0.00 -1.99 -0.97 115.11 119.83 3mtq h GLN 46 Ca 0.40 -0.38 0.06 0.00 -0.00 0.00 0.00 58.65 58.73 3mtq h GLN 46 Cb 0.56 0.01 -0.07 0.00 -0.00 0.00 0.00 27.48 27.99 3mtq h GLN 46 CO -0.36 0.99 -0.24 0.37 -0.00 0.00 0.00 178.83 179.60 3mtq h GLN 47 N 0.47 -0.25 0.28 0.06 4.15 -1.02 -0.66 115.11 118.15 3mtq h GLN 47 Ca 0.05 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 3mtq h GLN 47 Cb 0.86 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.61 3mtq h GLN 47 CO 0.07 -0.16 -0.13 0.28 -1.93 0.00 0.00 178.83 176.95 3mtq h VAL 48 N -0.26 0.76 -0.18 2.39 2.07 -0.45 -2.44 116.25 118.15 3mtq h VAL 48 Ca 0.13 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 3mtq h VAL 48 Cb 0.45 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3mtq h VAL 48 CO -0.36 0.07 -0.17 1.05 0.02 0.00 0.00 177.57 178.18 3mtq h GLU 49 N -0.55 0.30 -0.36 1.57 4.11 -1.10 -2.13 114.58 116.42 3mtq h GLU 49 Ca -0.04 -0.08 -0.09 0.00 0.07 0.00 0.00 59.36 59.21 3mtq h GLU 49 Cb 0.40 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3mtq h GLU 49 CO 0.06 0.47 -0.14 0.00 0.07 0.00 0.00 179.01 179.47 3mtq h ALA 50 N 1.55 0.50 -0.10 1.06 0.00 -1.10 -1.61 119.26 119.56 3mtq h ALA 50 Ca 0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3mtq h ALA 50 Cb 0.47 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3mtq h ALA 50 CO 0.03 0.40 0.06 1.25 0.00 0.00 0.00 179.25 180.99 3mtq h LEU 51 N 0.52 0.13 -0.53 0.00 5.85 -1.06 -3.15 115.31 117.06 3mtq h LEU 51 Ca 0.08 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 3mtq h LEU 51 Cb 0.68 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3mtq h LEU 51 CO 0.05 0.15 -0.00 0.58 -0.34 0.00 0.00 178.44 178.87 3mtq h VAL 52 N 0.09 1.26 -0.05 1.05 2.07 -1.40 -2.66 116.25 116.61 3mtq h VAL 52 Ca 0.04 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.46 3mtq h VAL 52 Cb 0.05 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3mtq h VAL 52 CO -0.01 0.39 0.25 0.00 0.02 0.00 0.00 177.57 178.23 3mtq h ALA 53 N 0.95 1.37 0.00 1.67 0.00 -1.29 -1.74 119.26 120.21 3mtq h ALA 53 Ca 0.15 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3mtq h ALA 53 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3mtq h ALA 53 CO 0.03 -0.28 -0.18 0.00 0.00 0.00 0.00 179.25 178.82 3mtq h ARG 54 N 0.00 0.00 -5.47 0.00 3.08 -1.43 -3.45 114.38 107.12 3mtq h ARG 54 Ca 0.02 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.48 3mtq h ARG 54 Cb 0.53 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.47 3mtq h ARG 54 CO -0.00 0.18 -0.26 -0.06 -1.07 0.00 0.00 179.97 178.76 3mtq s PHE 55 N -3.90 3.42 0.48 3.04 0.40 -0.66 -5.05 117.98 115.72 3mtq s PHE 55 Ca -0.01 0.62 -0.23 0.00 -0.60 0.00 0.00 56.93 56.70 3mtq s PHE 55 Cb 0.12 -2.44 -0.07 0.00 0.51 0.00 0.00 43.02 41.13 3mtq s PHE 55 CO 0.61 0.11 1.33 -2.14 0.70 0.00 0.00 175.22 175.83 3mtq s PRO 56 N 0.89 3.51 0.55 0.24 0.02 -1.26 -4.88 135.00 134.08 3mtq s PRO 56 Ca 0.18 2.18 0.23 0.00 0.02 0.00 0.00 61.00 63.61 3mtq s PRO 56 Cb -0.14 -2.46 1.53 0.00 0.02 0.00 0.00 34.50 33.45 3mtq s PRO 56 CO 0.06 -0.87 2.19 0.00 -0.33 0.00 0.00 177.00 178.05 3mtq h ALA 57 N 1.97 1.81 0.00 -1.55 0.00 -1.96 -2.01 119.26 117.52 3mtq h ALA 57 Ca -0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3mtq h ALA 57 Cb 1.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3mtq h ALA 57 CO 0.60 -0.04 -0.04 0.37 0.00 0.00 0.00 179.25 180.13 3mtq h GLN 58 N 0.00 0.00 -6.79 0.00 5.75 -1.90 -3.43 115.11 108.74 3mtq h GLN 58 Ca 0.01 0.00 -0.50 0.00 -0.15 0.00 0.00 58.65 58.02 3mtq h GLN 58 Cb 0.07 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.62 3mtq h GLN 58 CO -0.00 0.04 0.08 -0.51 -2.65 0.00 0.00 178.83 175.79 3mtq s ASP 59 N -5.89 6.51 0.01 -0.69 1.01 -0.76 -4.77 116.67 112.09 3mtq s ASP 59 Ca 0.02 1.07 -0.22 0.00 0.71 0.00 0.00 52.55 54.14 3mtq s ASP 59 Cb 0.08 -2.30 -0.05 0.00 1.01 0.00 0.00 42.92 41.66 3mtq s ASP 59 CO 0.59 -0.37 0.65 -1.61 0.21 0.00 0.00 175.17 174.64 3mtq s GLU 60 N -3.79 4.38 -0.22 8.23 2.02 0.41 -4.81 118.70 124.92 3mtq s GLU 60 Ca 0.50 0.84 0.00 0.00 0.02 0.00 0.00 54.97 56.33 3mtq s GLU 60 Cb -0.10 -3.35 0.03 0.00 0.10 0.00 0.00 34.13 30.80 3mtq s GLU 60 CO 0.31 0.32 -0.13 -1.17 0.02 0.00 0.00 175.26 174.61 3mtq s LEU 61 N -0.09 2.76 -0.35 1.80 2.96 -0.73 -0.19 118.68 124.83 3mtq s LEU 61 Ca 0.34 -0.85 -0.07 0.00 -0.22 0.00 0.00 54.13 53.32 3mtq s LEU 61 Cb -0.19 -1.57 0.04 0.00 0.50 0.00 0.00 46.19 44.98 3mtq s LEU 61 CO 0.19 -0.08 0.14 -0.63 -1.32 0.00 0.00 176.35 174.65 3mtq s ILE 62 N 1.27 3.96 -0.21 6.68 1.01 0.08 -1.11 121.20 132.88 3mtq s ILE 62 Ca 0.01 -1.13 -0.11 0.00 0.00 0.00 0.00 60.65 59.42 3mtq s ILE 62 Cb -0.16 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 3mtq s ILE 62 CO -0.08 -0.23 0.17 -0.69 0.00 0.00 0.00 174.94 174.10 3mtq s VAL 63 N 1.43 5.37 -0.19 2.92 1.01 0.79 -1.06 120.40 130.67 3mtq s VAL 63 Ca -0.00 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.22 3mtq s VAL 63 Cb -0.20 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.71 3mtq s VAL 63 CO 0.03 0.39 -0.14 -0.63 0.00 0.00 0.00 175.10 174.75 3mtq s ILE 64 N 0.67 1.82 0.26 2.22 1.01 0.76 0.16 121.20 128.11 3mtq s ILE 64 Ca 0.09 -1.00 0.06 0.00 0.00 0.00 0.00 60.65 59.80 3mtq s ILE 64 Cb -0.12 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 3mtq s ILE 64 CO 0.01 0.31 0.33 0.42 0.00 0.00 0.00 174.94 176.01 3mtq s THR 65 N 1.34 4.74 0.14 2.92 -4.23 -0.44 -0.65 115.64 119.46 3mtq s THR 65 Ca 0.01 -1.13 -0.17 0.00 -1.18 0.00 0.00 61.69 59.22 3mtq s THR 65 Cb -0.15 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.06 3mtq s THR 65 CO -0.10 -0.30 1.73 -2.24 -0.54 0.00 0.00 174.62 173.18 3mtq h ASP 66 N 1.22 0.46 -3.75 3.99 2.03 -1.24 0.30 116.42 119.43 3mtq h ASP 66 Ca -0.50 -0.09 -0.09 0.00 -0.73 0.00 0.00 57.03 55.62 3mtq h ASP 66 Cb 1.24 -0.12 -0.23 0.00 -0.83 0.00 0.00 39.33 39.39 3mtq h ASP 66 CO 0.60 0.42 -0.14 -0.51 -1.03 0.00 0.00 179.24 178.57 3mtq s ILE 67 N -5.84 -0.00 0.30 4.15 2.07 -1.26 -3.54 121.20 117.07 3mtq s ILE 67 Ca -0.13 0.01 -0.29 0.00 -1.41 0.00 0.00 60.65 58.83 3mtq s ILE 67 Cb 0.10 -0.71 -0.10 0.00 0.13 0.00 0.00 42.46 41.88 3mtq s ILE 67 CO 0.73 0.01 1.41 0.12 -1.91 0.00 0.00 174.94 175.30 3mtq s PHE 68 N 0.53 2.95 0.00 3.50 5.36 -1.26 -2.65 117.98 126.41 3mtq s PHE 68 Ca -0.02 1.16 0.00 0.00 -0.96 0.00 0.00 56.93 57.11 3mtq s PHE 68 Cb -0.04 -3.82 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 3mtq s PHE 68 CO -0.03 -2.50 0.00 0.00 -1.46 0.00 0.00 175.22 171.24 3mtq n ALA 69 N 1.57 0.00 -1.16 11.12 0.00 -1.26 -5.01 120.51 125.77 3mtq n ALA 69 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 3mtq n ALA 69 Cb 0.40 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.00 3mtq n ALA 69 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mtq s GLY 70 N -1.73 1.62 0.33 0.00 0.00 -1.09 -4.87 107.32 101.59 3mtq s GLY 70 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 44.72 44.74 3mtq s GLY 70 CO 0.00 0.45 1.83 1.76 0.00 0.00 0.00 173.10 177.14 3mtq h SER 71 N -1.60 0.37 -0.13 1.64 0.02 -1.95 -1.53 113.55 110.38 3mtq h SER 71 Ca -0.50 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.34 3mtq h SER 71 Cb 1.28 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 3mtq h SER 71 CO 0.54 0.56 -0.00 0.58 -1.14 0.00 0.00 176.83 177.36 3mtq h VAL 72 N 0.36 1.26 -0.58 2.27 2.07 -1.93 -2.25 116.25 117.45 3mtq h VAL 72 Ca 0.07 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.77 3mtq h VAL 72 Cb 0.49 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 3mtq h VAL 72 CO 0.03 0.24 0.37 -1.13 0.02 0.00 0.00 177.57 177.10 3mtq h ASN 73 N -0.04 0.62 -0.66 0.57 -1.24 -1.67 -2.62 115.58 110.54 3mtq h ASN 73 Ca 0.04 -0.01 0.12 0.00 0.71 0.00 0.00 56.30 57.16 3mtq h ASN 73 Cb 0.37 -0.14 -0.09 0.00 0.73 0.00 0.00 38.32 39.19 3mtq h ASN 73 CO 0.01 0.44 0.19 0.78 -1.29 0.00 0.00 177.43 177.55 3mtq h ASN 74 N 0.74 0.09 0.28 1.15 2.35 -1.17 -0.18 115.58 118.83 3mtq h ASN 74 Ca 0.22 0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 56.08 3mtq h ASN 74 Cb -0.03 0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3mtq h ASN 74 CO -0.07 0.04 -0.01 -0.33 -1.65 0.00 0.00 177.43 175.41 3mtq h GLU 75 N 0.32 0.00 0.00 0.81 4.39 -1.01 -2.79 114.58 116.30 3mtq h GLU 75 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 3mtq h GLU 75 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3mtq h GLU 75 CO -0.41 0.01 -1.34 1.19 -1.16 0.00 0.00 179.01 177.29 3mtq n PHE 76 N -3.14 0.48 -0.00 4.33 3.72 -0.11 -4.20 117.46 118.54 3mtq n PHE 76 Ca -0.02 0.14 0.21 0.00 -0.05 0.00 0.00 57.45 57.73 3mtq n PHE 76 Cb 0.14 -0.68 0.71 0.00 -0.94 0.00 0.00 39.48 38.71 3mtq n PHE 76 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3mtq h VAL 77 N 0.00 0.63 0.00 -4.37 2.07 -1.20 -0.95 116.25 112.43 3mtq h VAL 77 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3mtq h VAL 77 Cb 0.93 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3mtq h VAL 77 CO 0.00 0.00 -0.19 0.08 0.02 0.00 0.00 177.57 177.48 3mtq h ARG 78 N 0.00 0.00 -0.02 1.57 0.11 -1.76 -2.81 114.38 111.48 3mtq h ARG 78 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 3mtq h ARG 78 Cb 1.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.19 3mtq h ARG 78 CO -0.00 0.19 0.00 1.19 0.10 0.00 0.00 179.97 181.45 3mtq n PHE 79 N -3.66 0.02 0.17 4.08 3.72 -0.36 -3.66 117.46 117.77 3mtq n PHE 79 Ca -0.01 -0.01 0.02 0.00 -0.05 0.00 0.00 57.45 57.40 3mtq n PHE 79 Cb 0.32 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.96 3mtq n PHE 79 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3mtq n LEU 80 N -0.69 0.00 -0.00 4.37 4.77 -1.06 -0.54 117.00 123.85 3mtq n LEU 80 Ca 0.19 0.42 0.13 0.00 -0.03 0.00 0.00 56.01 56.72 3mtq n LEU 80 Cb 0.13 -0.42 0.49 0.00 -2.33 0.00 0.00 43.42 41.30 3mtq n LEU 80 CO 0.14 -0.36 0.79 -1.54 -1.33 0.00 0.00 177.39 175.09 3mtq n SER 81 N -1.42 0.17 -4.76 -1.43 3.41 -1.24 -4.88 113.62 103.47 3mtq n SER 81 Ca 0.01 0.24 -0.39 0.00 -0.26 0.00 0.00 58.87 58.47 3mtq n SER 81 Cb 0.04 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 63.71 3mtq n SER 81 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3mtq s ARG 82 N -3.00 4.50 0.55 4.33 3.52 0.30 -5.02 118.95 124.14 3mtq s ARG 82 Ca 0.13 1.77 -0.19 0.00 -0.13 0.00 0.00 55.73 57.31 3mtq s ARG 82 Cb 0.18 -3.03 -0.05 0.00 -1.56 0.00 0.00 34.95 30.50 3mtq s ARG 82 CO 0.59 0.09 1.10 -1.25 -0.81 0.00 0.00 175.30 175.02 3mtq s PRO 83 N -1.72 3.36 -1.81 5.12 0.04 -1.26 -3.55 135.00 135.18 3mtq s PRO 83 Ca 0.48 1.50 0.00 0.00 0.04 0.00 0.00 61.00 63.02 3mtq s PRO 83 Cb -0.30 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3mtq s PRO 83 CO 0.39 -0.82 0.00 0.72 0.04 0.00 0.00 177.00 177.32 3mtq n HIS 84 N -1.46 -0.29 -3.93 0.56 8.25 -1.26 -4.87 115.22 112.22 3mtq n HIS 84 Ca 0.11 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.22 3mtq n HIS 84 Cb 0.52 -3.27 -0.08 0.00 1.12 0.00 0.00 29.99 28.27 3mtq n HIS 84 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3mtq s PHE 85 N -2.76 3.37 -0.05 4.41 5.36 -1.23 -1.78 117.98 125.30 3mtq s PHE 85 Ca 0.00 0.26 0.01 0.00 -0.96 0.00 0.00 56.93 56.25 3mtq s PHE 85 Cb 0.00 -2.05 0.02 0.00 -0.34 0.00 0.00 43.02 40.66 3mtq s PHE 85 CO 0.00 0.36 -0.05 -1.01 -1.46 0.00 0.00 175.22 173.05 3mtq s HIS 86 N -0.06 0.82 -0.23 10.12 3.76 -0.27 -4.95 115.29 124.47 3mtq s HIS 86 Ca 0.08 -0.24 0.02 0.00 -0.15 0.00 0.00 55.06 54.77 3mtq s HIS 86 Cb -0.12 -0.71 0.05 0.00 1.11 0.00 0.00 32.58 32.91 3mtq s HIS 86 CO 0.00 -0.20 -0.14 -1.17 -0.85 0.00 0.00 174.74 172.38 3mtq s LEU 87 N 0.92 3.01 -0.05 0.89 2.96 -1.26 -0.15 118.68 125.00 3mtq s LEU 87 Ca -0.11 -1.14 0.00 0.00 -0.22 0.00 0.00 54.13 52.66 3mtq s LEU 87 Cb -0.14 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 3mtq s LEU 87 CO 0.00 -0.13 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.12 3mtq s LEU 88 N 1.17 3.42 -0.13 -0.68 1.02 0.12 -4.99 118.68 118.61 3mtq s LEU 88 Ca -0.04 0.03 0.00 0.00 0.02 0.00 0.00 54.13 54.14 3mtq s LEU 88 Cb -0.18 -1.84 -0.01 0.00 0.02 0.00 0.00 46.19 44.18 3mtq s LEU 88 CO -0.08 0.34 -0.14 -0.44 0.02 0.00 0.00 176.35 176.05 3mtq s SER 89 N -1.10 3.89 0.00 2.29 0.01 -1.26 -1.33 113.70 116.20 3mtq s SER 89 Ca 0.15 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.05 3mtq s SER 89 Cb -0.11 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.53 3mtq s SER 89 CO 0.05 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.46 3mtq n GLY 90 N 3.59 0.76 3.49 3.44 0.00 0.87 -4.78 105.19 112.58 3mtq n GLY 90 Ca -0.18 -0.15 -0.51 0.00 0.00 0.00 0.00 46.02 45.18 3mtq n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mtq n LEU 91 N 0.00 0.06 -3.52 0.99 4.77 -0.04 -4.97 117.00 114.29 3mtq n LEU 91 Ca 0.00 1.15 -0.09 0.00 -0.03 0.00 0.00 56.01 57.03 3mtq n LEU 91 Cb 0.00 -1.04 -0.03 0.00 -2.33 0.00 0.00 43.42 40.02 3mtq n LEU 91 CO 0.00 -2.13 0.69 0.54 -1.33 0.00 0.00 177.39 175.16 3mtq s ASN 92 N -0.43 -0.38 0.03 -1.43 2.20 -1.26 -4.96 114.94 108.71 3mtq s ASN 92 Ca 0.73 0.11 -0.22 0.00 -0.94 0.00 0.00 52.86 52.54 3mtq s ASN 92 Cb -0.98 0.38 -0.15 0.00 -2.00 0.00 0.00 41.25 38.50 3mtq s ASN 92 CO 0.56 -0.57 1.36 0.25 -2.94 0.00 0.00 177.10 175.75 3mtq h LEU 93 N 2.15 0.27 -0.90 3.54 5.85 -1.96 -2.97 115.31 121.29 3mtq h LEU 93 Ca -0.22 -0.45 0.07 0.00 0.84 0.00 0.00 57.88 58.12 3mtq h LEU 93 Cb 1.22 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 3mtq h LEU 93 CO 0.31 0.66 0.56 -0.65 -0.34 0.00 0.00 178.44 178.99 3mtq h PRO 94 N -0.11 0.99 -0.25 5.25 0.10 -1.98 -1.44 132.00 134.56 3mtq h PRO 94 Ca 0.02 -0.06 0.05 0.00 0.10 0.00 0.00 66.00 66.12 3mtq h PRO 94 Cb 0.57 -0.22 -0.05 0.00 0.10 0.00 0.00 31.00 31.39 3mtq h PRO 94 CO 0.02 0.65 -0.10 1.25 0.10 0.00 0.00 178.00 179.93 3mtq h LEU 95 N 1.02 -0.33 -0.68 2.35 5.85 -1.84 -0.91 115.31 120.77 3mtq h LEU 95 Ca 0.40 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.20 3mtq h LEU 95 Cb 0.19 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3mtq h LEU 95 CO -0.18 -0.13 0.40 0.40 -0.34 0.00 0.00 178.44 178.60 3mtq h ILE 96 N -0.05 1.20 -0.59 4.05 1.08 -1.26 -1.66 117.51 120.27 3mtq h ILE 96 Ca 0.13 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 3mtq h ILE 96 Cb 0.25 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.24 3mtq h ILE 96 CO -0.29 0.21 0.28 0.40 -0.69 0.00 0.00 178.15 178.06 3mtq h ILE 97 N 0.92 1.21 -0.63 -0.67 2.04 -0.96 -1.38 117.51 118.04 3mtq h ILE 97 Ca 0.24 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 3mtq h ILE 97 Cb -0.02 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 3mtq h ILE 97 CO -0.04 0.24 0.11 0.44 0.00 0.00 0.00 178.15 178.89 3mtq h ASP 98 N 0.80 1.00 -0.49 1.72 5.19 -1.00 -1.15 116.42 122.49 3mtq h ASP 98 Ca 0.20 -0.26 0.02 0.00 -0.62 0.00 0.00 57.03 56.38 3mtq h ASP 98 Cb 0.12 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.34 3mtq h ASP 98 CO -0.02 1.00 0.29 -0.07 -3.12 0.00 0.00 179.24 177.32 3mtq h LEU 99 N 0.95 0.46 -0.28 1.55 3.38 -1.12 -2.32 115.31 117.93 3mtq h LEU 99 Ca 0.19 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 3mtq h LEU 99 Cb 0.43 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3mtq h LEU 99 CO 0.01 0.33 -0.33 -0.07 0.09 0.00 0.00 178.44 178.46 3mtq h LEU 100 N 0.57 0.78 -0.38 1.67 3.38 -1.00 -2.88 115.31 117.45 3mtq h LEU 100 Ca 0.20 -0.49 0.08 0.00 0.09 0.00 0.00 57.88 57.76 3mtq h LEU 100 Cb 0.03 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.47 3mtq h LEU 100 CO -0.09 1.11 -0.23 0.40 0.09 0.00 0.00 178.44 179.72 3mtq h ILE 101 N 0.46 0.37 -0.25 1.22 2.04 -1.22 -2.69 117.51 117.44 3mtq h ILE 101 Ca 0.04 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.77 3mtq h ILE 101 Cb 0.92 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 3mtq h ILE 101 CO 0.08 0.00 0.16 -1.20 0.00 0.00 0.00 178.15 177.19 3mtq n SER 102 N -5.39 3.14 0.21 1.72 7.64 -0.88 -4.58 113.62 115.48 3mtq n SER 102 Ca 0.02 -2.40 0.14 0.00 1.01 0.00 0.00 58.87 57.64 3mtq n SER 102 Cb 0.30 -0.58 0.48 0.00 -1.01 0.00 0.00 64.21 63.39 3mtq n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mtq h ALA 103 N 1.79 1.00 0.00 -0.43 0.00 -1.25 -2.04 119.26 118.32 3mtq h ALA 103 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3mtq h ALA 103 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3mtq h ALA 103 CO 0.27 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.52 3mtq n ALA 104 N -1.98 1.85 -1.75 0.00 0.00 -1.26 -4.85 120.51 112.52 3mtq n ALA 104 Ca 0.03 0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 3mtq n ALA 104 Cb 0.36 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 3mtq n ALA 104 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3mtq s GLU 105 N -3.24 4.15 0.08 0.00 2.56 -0.77 -4.93 118.70 116.55 3mtq s GLU 105 Ca 0.06 2.55 0.19 0.00 0.00 0.00 0.00 54.97 57.77 3mtq s GLU 105 Cb 0.10 -3.55 -0.13 0.00 2.00 0.00 0.00 34.13 32.56 3mtq s GLU 105 CO 0.45 -0.81 0.80 -0.40 -0.56 0.00 0.00 175.26 174.74 3mtq n ASP 106 N 5.51 0.70 -4.53 -1.70 5.75 -1.26 -4.69 116.55 116.33 3mtq n ASP 106 Ca 0.17 0.29 -0.42 0.00 -0.01 0.00 0.00 54.79 54.83 3mtq n ASP 106 Cb 0.38 0.52 -0.03 0.00 -1.03 0.00 0.00 41.12 40.96 3mtq n ASP 106 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3mtq s ASN 107 N -5.48 6.20 0.38 -1.12 3.84 -1.26 -4.87 114.94 112.64 3mtq s ASN 107 Ca -0.03 -0.70 0.10 0.00 0.21 0.00 0.00 52.86 52.44 3mtq s ASN 107 Cb 0.09 -2.53 0.76 0.00 -0.55 0.00 0.00 41.25 39.03 3mtq s ASN 107 CO 0.82 -1.71 1.89 0.74 -2.79 0.00 0.00 177.10 176.05 3mtq h THR 108 N 6.08 1.20 -0.57 -5.21 2.02 -2.00 -1.19 112.91 113.24 3mtq h THR 108 Ca -0.23 -0.92 -0.09 0.00 0.77 0.00 0.00 66.41 65.95 3mtq h THR 108 Cb 1.05 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 3mtq h THR 108 CO 1.27 0.28 0.02 -0.33 0.37 0.00 0.00 175.52 177.13 3mtq h GLU 109 N 0.17 0.99 -0.19 6.66 3.07 -1.99 -2.00 114.58 121.30 3mtq h GLU 109 Ca 0.03 -0.30 -0.03 0.00 -0.50 0.00 0.00 59.36 58.55 3mtq h GLU 109 Cb 0.46 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 3mtq h GLU 109 CO 0.03 0.98 -0.01 -0.22 -1.40 0.00 0.00 179.01 178.39 3mtq h LYS 110 N 0.88 0.33 -0.18 2.33 3.64 -1.83 -1.67 116.57 120.08 3mtq h LYS 110 Ca 0.16 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3mtq h LYS 110 Cb 0.52 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.24 3mtq h LYS 110 CO 0.02 0.55 -0.38 1.25 -2.27 0.00 0.00 179.45 178.63 3mtq h LEU 111 N 0.08 -1.19 -0.09 5.20 5.85 -1.11 -1.49 115.31 122.56 3mtq h LEU 111 Ca 0.05 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3mtq h LEU 111 Cb 0.41 0.50 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 3mtq h LEU 111 CO 0.01 -0.39 -0.01 0.40 -0.34 0.00 0.00 178.44 178.11 3mtq h ILE 112 N -0.42 1.27 -0.17 4.05 2.04 -1.36 -0.32 117.51 122.59 3mtq h ILE 112 Ca 0.10 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3mtq h ILE 112 Cb 0.59 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 3mtq h ILE 112 CO -0.41 0.24 0.07 0.71 0.00 0.00 0.00 178.15 178.76 3mtq h THR 113 N -0.13 1.16 -0.47 -0.27 1.35 -1.32 -0.41 112.91 112.83 3mtq h THR 113 Ca 0.03 -0.48 0.02 0.00 -0.55 0.00 0.00 66.41 65.43 3mtq h THR 113 Cb 0.38 1.16 -0.03 0.00 -1.73 0.00 0.00 68.15 67.93 3mtq h THR 113 CO 0.01 0.15 0.28 -0.33 -0.25 0.00 0.00 175.52 175.38 3mtq h GLU 114 N 0.12 0.55 -0.58 4.72 5.08 -1.31 0.04 114.58 123.20 3mtq h GLU 114 Ca 0.06 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3mtq h GLU 114 Cb 0.18 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3mtq h GLU 114 CO -0.00 0.36 0.38 0.00 -1.00 0.00 0.00 179.01 178.75 3mtq h ALA 115 N 1.20 0.73 -0.55 3.43 0.00 -0.93 -0.09 119.26 123.05 3mtq h ALA 115 Ca 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3mtq h ALA 115 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3mtq h ALA 115 CO -0.08 0.16 0.25 -0.07 0.00 0.00 0.00 179.25 179.51 3mtq h LEU 116 N 0.77 0.74 -0.30 0.00 3.38 -0.75 0.79 115.31 119.93 3mtq h LEU 116 Ca 0.21 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3mtq h LEU 116 Cb -0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3mtq h LEU 116 CO -0.05 0.68 0.19 0.74 0.09 0.00 0.00 178.44 180.09 3mtq h THR 117 N 0.75 1.10 -0.04 0.22 2.02 -0.71 -0.93 112.91 115.31 3mtq h THR 117 Ca 0.19 -0.22 -0.13 0.00 0.77 0.00 0.00 66.41 67.02 3mtq h THR 117 Cb 0.15 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3mtq h THR 117 CO -0.02 0.10 -0.58 0.78 0.37 0.00 0.00 175.52 176.17 3mtq h ASN 118 N 0.40 0.15 -0.17 4.18 2.35 -0.86 -2.17 115.58 119.47 3mtq h ASN 118 Ca 0.11 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3mtq h ASN 118 Cb -0.01 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3mtq h ASN 118 CO -0.02 0.70 0.05 0.00 -1.65 0.00 0.00 177.43 176.51 3mtq h ALA 119 N 1.30 0.22 -0.55 -0.83 0.00 -0.70 -2.54 119.26 116.16 3mtq h ALA 119 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3mtq h ALA 119 Cb 1.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3mtq h ALA 119 CO 0.08 -0.17 0.26 0.87 0.00 0.00 0.00 179.25 180.30 3mtq h LYS 120 N 0.09 0.77 -0.83 0.00 1.57 -0.95 -1.92 116.57 115.31 3mtq h LYS 120 Ca 0.05 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3mtq h LYS 120 Cb 0.22 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 3mtq h LYS 120 CO -0.00 0.60 0.37 0.93 -0.57 0.00 0.00 179.45 180.77 3mtq h GLU 121 N 0.77 1.21 0.00 3.15 5.08 -1.30 -2.88 114.58 120.61 3mtq h GLU 121 Ca 0.19 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3mtq h GLU 121 Cb 0.08 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3mtq h GLU 121 CO -0.03 0.95 -0.23 1.03 -1.00 0.00 0.00 179.01 179.73 3mtq h SER 122 N 1.19 0.00 -3.53 1.42 0.87 -0.94 -3.42 113.55 109.15 3mtq h SER 122 Ca 0.28 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.28 3mtq h SER 122 Cb 0.16 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.06 3mtq h SER 122 CO -0.03 0.23 0.93 -0.63 -0.53 0.00 0.00 176.83 176.80 3mtq s ILE 123 N -3.97 4.24 0.16 2.23 1.01 -0.84 -4.98 121.20 119.05 3mtq s ILE 123 Ca -0.02 1.32 -0.18 0.00 0.00 0.00 0.00 60.65 61.77 3mtq s ILE 123 Cb 0.12 -4.48 0.04 0.00 0.01 0.00 0.00 42.46 38.15 3mtq s ILE 123 CO 0.64 -0.82 0.49 0.00 0.00 0.00 0.00 174.94 175.25 3mtq s GLN 124 N 4.30 1.24 -0.62 2.79 -2.07 -1.26 -4.96 119.66 119.08 3mtq s GLN 124 Ca 0.49 -0.73 -0.20 0.00 -1.82 0.00 0.00 55.36 53.11 3mtq s GLN 124 Cb -0.10 0.51 0.10 0.00 -1.09 0.00 0.00 33.01 32.43 3mtq s GLN 124 CO 0.27 -0.52 0.77 -0.47 -1.32 0.00 0.00 175.29 174.03 3mtq s TYR 125 N -3.82 2.93 0.57 9.60 5.04 -1.26 -4.96 117.35 125.44 3mtq s TYR 125 Ca 0.05 -0.89 0.26 0.00 -2.44 0.00 0.00 57.07 54.06 3mtq s TYR 125 Cb 0.00 -4.08 1.67 0.00 0.35 0.00 0.00 41.96 39.90 3mtq s TYR 125 CO -0.08 -1.38 2.22 0.00 -1.34 0.00 0.00 175.55 174.97 3mtq h ASN 127 N 0.00 0.00 0.01 0.00 4.21 -1.99 -0.32 115.58 117.50 3mtq h ASN 127 Ca -0.00 0.00 -0.41 0.00 1.21 0.00 0.00 56.30 57.10 3mtq h ASN 127 Cb 0.02 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.16 3mtq h ASN 127 CO 0.00 0.12 -2.36 0.00 -1.29 0.00 0.00 177.43 173.89 3mtq n GLN 128 N -3.64 0.63 -0.08 0.81 6.02 -0.48 -3.69 117.38 116.96 3mtq n GLN 128 Ca -0.02 0.24 -0.13 0.00 -0.01 0.00 0.00 57.00 57.08 3mtq n GLN 128 Cb 0.24 -1.55 -0.05 0.00 1.02 0.00 0.00 30.24 29.90 3mtq n GLN 128 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 3mtq h THR 129 N -0.46 1.32 -0.39 5.09 1.35 -1.32 -1.86 112.91 116.65 3mtq h THR 129 Ca -0.60 -1.37 -0.06 0.00 -0.55 0.00 0.00 66.41 63.83 3mtq h THR 129 Cb 1.76 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.86 3mtq h THR 129 CO -0.21 0.42 0.01 0.40 -0.25 0.00 0.00 175.52 175.89 3mtq h ILE 130 N 0.24 1.26 -0.74 6.82 2.04 -1.29 -2.70 117.51 123.14 3mtq h ILE 130 Ca 0.04 -0.98 0.14 0.00 1.00 0.00 0.00 64.86 65.06 3mtq h ILE 130 Cb 0.76 1.13 -0.10 0.00 -0.74 0.00 0.00 36.82 37.88 3mtq h ILE 130 CO 0.05 0.33 0.27 0.00 0.00 0.00 0.00 178.15 178.81 3mtq h ALA 131 N 0.89 1.02 -0.21 1.87 0.00 -1.63 -2.54 119.26 118.66 3mtq h ALA 131 Ca 0.11 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3mtq h ALA 131 Cb 0.45 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3mtq h ALA 131 CO 0.02 -0.23 0.07 0.66 0.00 0.00 0.00 179.25 179.77 3mtq h SER 132 N 0.41 0.31 0.00 0.00 4.64 -1.24 -3.51 113.55 114.16 3mtq h SER 132 Ca 0.41 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3mtq h SER 132 Cb 0.62 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3mtq h SER 132 CO -0.41 0.43 0.00 0.00 -0.87 0.00 0.00 176.83 175.97