#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dub s ASN 32 N 0.00 7.25 -0.11 0.00 3.84 -1.26 -5.02 114.94 119.64 1dub s ASN 32 Ca 0.00 1.56 -0.14 0.00 0.21 0.00 0.00 52.86 54.48 1dub s ASN 32 Cb 0.00 -2.56 -0.05 0.00 -0.55 0.00 0.00 41.25 38.09 1dub s ASN 32 CO 0.00 -0.44 0.34 -0.36 -2.79 0.00 0.00 177.10 173.85 1dub s PHE 33 N 1.94 3.55 -0.16 0.43 0.08 -1.26 -5.00 117.98 117.56 1dub s PHE 33 Ca 0.49 0.75 -0.21 0.00 0.12 0.00 0.00 56.93 58.07 1dub s PHE 33 Cb -0.19 -2.33 -0.24 0.00 -0.57 0.00 0.00 43.02 39.69 1dub s PHE 33 CO 0.19 0.37 0.47 0.37 -0.10 0.00 0.00 175.22 176.53 1dub h GLN 34 N 6.03 0.08 0.00 0.44 4.15 -1.96 -3.41 115.11 120.44 1dub h GLN 34 Ca -0.45 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 58.83 1dub h GLN 34 Cb 1.19 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1dub h GLN 34 CO 0.70 1.07 -1.19 0.66 -1.93 0.00 0.00 178.83 178.14 1dub n TYR 35 N -4.30 0.06 -4.16 3.99 4.01 -1.26 -4.93 117.16 110.56 1dub n TYR 35 Ca -0.24 0.02 -0.11 0.00 -0.16 0.00 0.00 57.90 57.40 1dub n TYR 35 Cb 0.71 -0.22 -0.10 0.00 -0.31 0.00 0.00 39.34 39.41 1dub n TYR 35 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1dub s ILE 36 N -3.16 0.73 -0.18 -0.72 -4.36 -1.26 0.80 121.20 113.06 1dub s ILE 36 Ca 0.04 -1.81 0.01 0.00 -0.26 0.00 0.00 60.65 58.62 1dub s ILE 36 Cb 0.15 -1.53 0.02 0.00 1.25 0.00 0.00 42.46 42.34 1dub s ILE 36 CO 0.85 -0.78 -0.19 -0.63 0.24 0.00 0.00 174.94 174.44 1dub s ILE 37 N -3.22 2.21 0.12 8.37 1.01 0.11 -4.67 121.20 125.13 1dub s ILE 37 Ca 0.09 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.89 1dub s ILE 37 Cb 0.02 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1dub s ILE 37 CO -0.03 0.53 0.05 0.42 0.00 0.00 0.00 174.94 175.90 1dub s THR 38 N 1.23 4.19 -0.00 2.92 -4.23 -1.26 0.43 115.64 118.93 1dub s THR 38 Ca 0.03 -1.04 -0.23 0.00 -1.18 0.00 0.00 61.69 59.28 1dub s THR 38 Cb -0.13 -3.05 0.05 0.00 1.34 0.00 0.00 72.50 70.70 1dub s THR 38 CO -0.10 0.03 0.51 -0.70 -0.54 0.00 0.00 174.62 173.81 1dub s GLU 39 N -2.62 0.93 -0.27 3.99 2.12 0.19 -5.00 118.70 118.06 1dub s GLU 39 Ca 0.28 -0.07 -0.06 0.00 0.36 0.00 0.00 54.97 55.47 1dub s GLU 39 Cb -0.11 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 34.70 1dub s GLU 39 CO 0.20 -0.30 0.05 0.15 -0.54 0.00 0.00 175.26 174.82 1dub s LYS 40 N -1.74 3.34 0.13 4.30 1.02 -1.26 0.36 119.74 125.87 1dub s LYS 40 Ca -0.09 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.21 1dub s LYS 40 Cb -0.02 -3.28 -0.00 0.00 -0.52 0.00 0.00 37.83 34.01 1dub s LYS 40 CO 0.04 -0.31 0.00 1.63 -0.92 0.00 0.00 175.35 175.79 1dub n LYS 41 N 4.87 1.64 -0.76 1.68 5.02 0.23 -4.88 118.16 125.96 1dub n LYS 41 Ca -0.16 -0.92 0.10 0.00 -2.02 0.00 0.00 58.31 55.31 1dub n LYS 41 Cb 0.50 0.26 -0.04 0.00 -0.02 0.00 0.00 35.03 35.73 1dub n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dub n GLY 42 N 3.36 -2.34 3.66 0.72 0.00 -1.26 -1.63 105.19 107.69 1dub n GLY 42 Ca -0.05 -1.29 -0.46 0.00 0.00 0.00 0.00 46.02 44.22 1dub n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1dub n LYS 43 N -3.45 1.93 -1.13 1.61 4.81 -1.26 0.51 118.16 121.19 1dub n LYS 43 Ca -0.02 0.69 -0.04 0.00 -0.87 0.00 0.00 58.31 58.07 1dub n LYS 43 Cb 0.35 -2.36 -0.02 0.00 0.02 0.00 0.00 35.03 33.02 1dub n LYS 43 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1dub n ASN 44 N 2.48 -5.60 -3.99 3.14 3.02 -1.26 -2.94 115.26 110.10 1dub n ASN 44 Ca 0.14 0.11 -0.26 0.00 -0.03 0.00 0.00 54.58 54.53 1dub n ASN 44 Cb 0.29 -3.48 -0.03 0.00 -0.61 0.00 0.00 39.78 35.96 1dub n ASN 44 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1dub n SER 45 N -0.93 -0.30 0.02 6.41 7.64 0.18 -4.87 113.62 121.77 1dub n SER 45 Ca -0.04 -1.03 0.12 0.00 1.01 0.00 0.00 58.87 58.92 1dub n SER 45 Cb 0.49 -2.93 0.12 0.00 -1.01 0.00 0.00 64.21 60.88 1dub n SER 45 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1dub n SER 46 N -2.97 0.62 -4.56 6.43 3.41 -1.03 -4.50 113.62 111.03 1dub n SER 46 Ca -0.30 -0.20 -0.37 0.00 -0.26 0.00 0.00 58.87 57.74 1dub n SER 46 Cb 0.68 0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 65.01 1dub n SER 46 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1dub s VAL 47 N -3.11 4.87 -0.50 -3.33 1.01 -0.65 -1.07 120.40 117.62 1dub s VAL 47 Ca 0.07 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 1dub s VAL 47 Cb 0.15 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 33.31 1dub s VAL 47 CO 0.75 0.33 0.62 -0.83 0.00 0.00 0.00 175.10 175.98 1dub s GLY 48 N 1.34 1.78 -0.04 4.51 0.00 -0.47 0.77 107.32 115.21 1dub s GLY 48 Ca 0.06 -1.74 -0.22 0.00 0.00 0.00 0.00 44.72 42.82 1dub s GLY 48 CO 0.05 1.47 0.64 -2.27 0.00 0.00 0.00 173.10 173.00 1dub s LEU 49 N 2.61 4.36 -0.14 0.66 2.96 0.16 -1.07 118.68 128.22 1dub s LEU 49 Ca 0.15 1.16 0.01 0.00 -0.22 0.00 0.00 54.13 55.23 1dub s LEU 49 Cb -0.19 -3.00 0.02 0.00 0.50 0.00 0.00 46.19 43.52 1dub s LEU 49 CO 0.12 -0.02 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.34 1dub s ILE 50 N 0.36 1.67 -0.15 6.68 1.01 0.63 -0.63 121.20 130.77 1dub s ILE 50 Ca 0.34 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.29 1dub s ILE 50 Cb -0.18 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.77 1dub s ILE 50 CO 0.17 0.47 -0.19 -1.58 0.00 0.00 0.00 174.94 173.81 1dub s GLN 51 N 1.20 3.09 -0.11 2.79 0.74 0.17 -1.40 119.66 126.13 1dub s GLN 51 Ca -0.01 -0.82 -0.30 0.00 0.05 0.00 0.00 55.36 54.29 1dub s GLN 51 Cb -0.14 -2.51 -0.03 0.00 1.10 0.00 0.00 33.01 31.43 1dub s GLN 51 CO -0.07 -0.02 1.30 -0.51 -0.55 0.00 0.00 175.29 175.44 1dub s LEU 52 N 0.86 4.23 -0.64 3.68 1.43 0.25 0.07 118.68 128.56 1dub s LEU 52 Ca -0.05 1.82 0.05 0.00 -1.03 0.00 0.00 54.13 54.91 1dub s LEU 52 Cb -0.15 -3.54 0.18 0.00 0.03 0.00 0.00 46.19 42.71 1dub s LEU 52 CO -0.02 -0.73 0.51 -3.20 0.23 0.00 0.00 176.35 173.14 1dub n ASN 53 N 6.18 2.43 -2.85 2.29 5.15 0.24 -4.25 115.26 124.45 1dub n ASN 53 Ca 0.13 -3.08 -0.11 0.00 -0.60 0.00 0.00 54.58 50.92 1dub n ASN 53 Cb 0.45 -0.71 0.04 0.00 -0.53 0.00 0.00 39.78 39.03 1dub n ASN 53 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1dub n ARG 54 N 1.93 1.07 0.10 1.20 0.63 -1.25 -4.35 116.66 115.99 1dub n ARG 54 Ca 0.23 -2.70 0.19 0.00 -0.92 0.00 0.00 57.85 54.65 1dub n ARG 54 Cb 0.39 -1.09 0.75 0.00 0.45 0.00 0.00 32.46 32.95 1dub n ARG 54 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1dub h PRO 55 N 2.80 0.00 -0.42 -0.14 0.13 -1.93 -0.75 132.00 131.68 1dub h PRO 55 Ca -0.08 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.00 1dub h PRO 55 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1dub h PRO 55 CO 0.30 0.00 0.02 0.87 -0.23 0.00 0.00 178.00 178.96 1dub h LYS 56 N 0.00 0.66 -0.58 0.86 1.57 -2.02 -2.26 116.57 114.80 1dub h LYS 56 Ca 0.17 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 1dub h LYS 56 Cb 0.83 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.96 1dub h LYS 56 CO -0.00 0.67 0.15 0.00 -0.57 0.00 0.00 179.45 179.70 1dub n ALA 57 N -2.47 4.16 -4.07 3.86 0.00 -0.85 -4.92 120.51 116.22 1dub n ALA 57 Ca 0.02 -2.42 -0.33 0.00 0.00 0.00 0.00 53.44 50.72 1dub n ALA 57 Cb 0.26 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 1dub n ALA 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1dub n LEU 58 N -0.31 -2.11 -2.26 0.00 4.77 -0.85 -0.33 117.00 115.91 1dub n LEU 58 Ca 0.35 -0.92 -0.21 0.00 -0.03 0.00 0.00 56.01 55.20 1dub n LEU 58 Cb 1.23 -2.29 -0.02 0.00 -2.33 0.00 0.00 43.42 40.00 1dub n LEU 58 CO 0.34 0.37 -0.26 0.59 -1.33 0.00 0.00 177.39 177.10 1dub n ASN 59 N -2.76 -5.88 -4.70 -1.43 3.02 -0.35 -0.96 115.26 102.21 1dub n ASN 59 Ca 0.02 0.08 -0.44 0.00 -0.03 0.00 0.00 54.58 54.21 1dub n ASN 59 Cb 0.52 -4.94 -0.02 0.00 -0.61 0.00 0.00 39.78 34.73 1dub n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dub n ALA 60 N -1.42 1.61 -1.90 5.41 0.00 0.55 -4.22 120.51 120.54 1dub n ALA 60 Ca -0.24 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 1dub n ALA 60 Cb 0.69 -2.34 -0.01 0.00 0.00 0.00 0.00 19.45 17.79 1dub n ALA 60 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1dub n LEU 61 N 2.01 5.65 -4.75 0.00 4.77 0.13 -4.75 117.00 120.07 1dub n LEU 61 Ca 0.10 -3.83 -0.30 0.00 -0.03 0.00 0.00 56.01 51.95 1dub n LEU 61 Cb 0.34 -1.61 0.12 0.00 -2.33 0.00 0.00 43.42 39.93 1dub n LEU 61 CO 0.63 0.41 0.68 0.00 -1.33 0.00 0.00 177.39 177.79 1dub h ASN 63 N -1.35 0.81 -0.26 0.00 2.35 -1.97 -1.47 115.58 113.68 1dub h ASN 63 Ca -0.48 0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.24 1dub h ASN 63 Cb 1.27 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.55 1dub h ASN 63 CO 0.55 0.34 -0.26 1.23 -1.65 0.00 0.00 177.43 177.64 1dub h GLY 64 N 0.83 0.82 0.80 2.83 0.00 -1.99 -0.33 103.07 106.03 1dub h GLY 64 Ca 0.55 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1dub h GLY 64 CO -0.34 0.66 0.01 -2.00 0.00 0.00 0.00 176.54 174.87 1dub h LEU 65 N 0.65 0.09 -0.88 3.11 7.12 -1.70 -2.39 115.31 121.31 1dub h LEU 65 Ca 0.08 -0.22 0.04 0.00 0.13 0.00 0.00 57.88 57.91 1dub h LEU 65 Cb 0.78 -0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.83 1dub h LEU 65 CO 0.06 0.29 0.57 0.40 -0.13 0.00 0.00 178.44 179.63 1dub h ILE 66 N -0.12 1.13 -0.64 4.05 1.08 -1.11 0.61 117.51 122.51 1dub h ILE 66 Ca 0.02 -0.37 -0.03 0.00 -0.39 0.00 0.00 64.86 64.08 1dub h ILE 66 Cb 0.23 -0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 33.90 1dub h ILE 66 CO 0.00 0.20 0.26 -0.08 -0.69 0.00 0.00 178.15 177.84 1dub h GLU 67 N 1.09 0.94 0.02 2.37 4.81 -0.95 -0.46 114.58 122.40 1dub h GLU 67 Ca 0.35 -0.15 -0.19 0.00 -0.13 0.00 0.00 59.36 59.25 1dub h GLU 67 Cb 0.03 -0.16 0.02 0.00 0.63 0.00 0.00 28.75 29.26 1dub h GLU 67 CO -0.12 0.76 -0.76 0.93 -0.73 0.00 0.00 179.01 179.09 1dub h GLU 68 N 0.92 0.47 -0.52 1.92 5.08 -0.81 -2.41 114.58 119.24 1dub h GLU 68 Ca 0.22 -0.54 0.07 0.00 -1.00 0.00 0.00 59.36 58.11 1dub h GLU 68 Cb 0.17 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 1dub h GLU 68 CO -0.02 1.18 0.20 1.25 -1.00 0.00 0.00 179.01 180.62 1dub h LEU 69 N -0.00 0.22 -1.37 1.33 5.85 -0.70 0.91 115.31 121.54 1dub h LEU 69 Ca -0.10 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 1dub h LEU 69 Cb 1.47 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 1dub h LEU 69 CO 0.15 0.15 -0.17 0.78 -0.34 0.00 0.00 178.44 179.01 1dub h ASN 70 N 0.39 0.20 -0.11 1.25 2.35 -1.08 -0.67 115.58 117.90 1dub h ASN 70 Ca 0.25 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 1dub h ASN 70 Cb 0.26 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1dub h ASN 70 CO -0.24 0.39 -0.09 1.56 -1.65 0.00 0.00 177.43 177.39 1dub h GLN 71 N 0.19 0.26 -0.88 0.81 4.20 -0.68 -1.96 115.11 117.05 1dub h GLN 71 Ca 0.04 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1dub h GLN 71 Cb 0.42 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 1dub h GLN 71 CO 0.03 0.65 0.56 0.00 -0.67 0.00 0.00 178.83 179.40 1dub h ALA 72 N 0.60 1.34 -0.10 3.87 0.00 -0.44 -0.96 119.26 123.57 1dub h ALA 72 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1dub h ALA 72 Cb 0.60 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1dub h ALA 72 CO 0.02 0.60 0.02 -0.07 0.00 0.00 0.00 179.25 179.82 1dub h LEU 73 N 1.20 0.16 -1.54 0.00 3.38 -1.10 -1.18 115.31 116.23 1dub h LEU 73 Ca 0.32 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1dub h LEU 73 Cb -0.11 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1dub h LEU 73 CO -0.07 0.36 0.12 -0.08 0.09 0.00 0.00 178.44 178.87 1dub h GLU 74 N -0.06 0.42 0.48 1.13 4.57 -1.03 0.10 114.58 120.21 1dub h GLU 74 Ca 0.03 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1dub h GLU 74 Cb 0.27 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1dub h GLU 74 CO 0.00 0.36 -0.23 1.15 -1.18 0.00 0.00 179.01 179.11 1dub h THR 75 N 0.43 0.34 -0.57 0.32 2.02 -0.83 0.43 112.91 115.04 1dub h THR 75 Ca 0.11 -0.49 0.10 0.00 0.77 0.00 0.00 66.41 66.90 1dub h THR 75 Cb 0.09 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1dub h THR 75 CO -0.01 0.06 0.39 -0.26 0.37 0.00 0.00 175.52 176.06 1dub h PHE 76 N -1.01 0.36 -0.57 3.16 0.04 -1.04 0.11 116.94 117.99 1dub h PHE 76 Ca -0.07 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.64 1dub h PHE 76 Cb 0.59 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 1dub h PHE 76 CO 0.01 0.17 0.07 1.49 -0.60 0.00 0.00 178.31 179.46 1dub h GLU 77 N 0.34 0.96 -0.00 1.51 4.57 -0.51 -2.36 114.58 119.08 1dub h GLU 77 Ca 0.26 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1dub h GLU 77 Cb 0.59 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1dub h GLU 77 CO -0.07 0.93 -0.06 0.39 -1.18 0.00 0.00 179.01 179.02 1dub n GLU 78 N -4.31 0.86 -2.95 1.92 1.02 0.21 -4.77 120.64 112.61 1dub n GLU 78 Ca 0.02 -0.25 -0.42 0.00 -0.02 0.00 0.00 57.16 56.49 1dub n GLU 78 Cb 0.29 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.16 1dub n GLU 78 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1dub s ASP 79 N -2.32 6.59 0.42 1.62 -1.08 -0.17 -4.93 116.67 116.80 1dub s ASP 79 Ca 0.34 0.47 0.30 0.00 -0.52 0.00 0.00 52.55 53.14 1dub s ASP 79 Cb 0.21 -2.40 1.43 0.00 -1.46 0.00 0.00 42.92 40.70 1dub s ASP 79 CO 0.43 -0.69 1.89 -0.65 0.52 0.00 0.00 175.17 176.68 1dub h PRO 80 N 8.35 0.00 0.00 4.34 0.11 -1.86 -1.45 132.00 141.49 1dub h PRO 80 Ca -0.25 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.83 1dub h PRO 80 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1dub h PRO 80 CO 0.90 0.00 -0.79 0.00 -0.21 0.00 0.00 178.00 177.90 1dub h ALA 81 N 2.07 0.66 -2.92 -0.75 0.00 -1.91 -3.45 119.26 112.95 1dub h ALA 81 Ca 0.00 -0.18 -0.59 0.00 0.00 0.00 0.00 54.91 54.14 1dub h ALA 81 Cb 0.20 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 1dub h ALA 81 CO 0.00 0.21 -0.19 0.08 0.00 0.00 0.00 179.25 179.35 1dub s VAL 82 N -3.22 5.21 -0.03 0.00 1.01 -0.55 -3.94 120.40 118.88 1dub s VAL 82 Ca 0.01 0.79 0.10 0.00 0.00 0.00 0.00 61.98 62.88 1dub s VAL 82 Cb 0.08 -3.75 -0.16 0.00 0.00 0.00 0.00 36.38 32.55 1dub s VAL 82 CO 0.76 0.30 0.23 0.61 0.00 0.00 0.00 175.10 177.00 1dub n GLY 83 N 3.56 -0.45 3.26 4.51 0.00 -0.23 -4.87 105.19 110.97 1dub n GLY 83 Ca -0.08 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1dub n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dub s ALA 84 N -2.68 -0.81 0.02 4.61 0.00 -1.21 -4.10 121.76 117.59 1dub s ALA 84 Ca -0.03 0.29 0.07 0.00 0.00 0.00 0.00 51.96 52.29 1dub s ALA 84 Cb 0.07 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 1dub s ALA 84 CO 0.42 -0.31 -0.21 0.42 0.00 0.00 0.00 175.76 176.08 1dub s ILE 85 N -1.67 2.52 -0.17 0.00 1.01 0.01 -1.37 121.20 121.53 1dub s ILE 85 Ca -0.11 -1.17 0.01 0.00 0.00 0.00 0.00 60.65 59.37 1dub s ILE 85 Cb -0.04 -2.00 0.01 0.00 0.01 0.00 0.00 42.46 40.44 1dub s ILE 85 CO 0.02 0.42 -0.17 -0.69 0.00 0.00 0.00 174.94 174.52 1dub s VAL 86 N -0.81 2.35 -0.18 2.92 1.01 -0.23 -0.40 120.40 125.05 1dub s VAL 86 Ca 0.13 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 1dub s VAL 86 Cb -0.10 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1dub s VAL 86 CO 0.03 0.52 0.01 -0.22 0.00 0.00 0.00 175.10 175.43 1dub s LEU 87 N 1.12 3.44 0.27 3.92 2.96 0.50 -0.27 118.68 130.62 1dub s LEU 87 Ca 0.00 -0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 1dub s LEU 87 Cb -0.14 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 1dub s LEU 87 CO -0.07 0.14 0.40 0.28 -1.32 0.00 0.00 176.35 175.79 1dub s THR 88 N 0.54 0.00 0.00 3.68 -1.32 -0.49 0.04 115.64 118.09 1dub s THR 88 Ca -0.00 -1.60 0.00 0.00 -1.21 0.00 0.00 61.69 58.88 1dub s THR 88 Cb -0.14 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 1dub s THR 88 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 1dub n GLY 89 N -0.42 2.82 3.55 6.08 0.00 -1.26 -0.58 105.19 115.38 1dub n GLY 89 Ca 0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1dub n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dub n GLY 90 N 3.58 2.64 0.27 -0.02 0.00 -0.18 -4.61 105.19 106.86 1dub n GLY 90 Ca 0.00 -2.28 -0.02 0.00 0.00 0.00 0.00 46.02 43.73 1dub n GLY 90 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1dub h GLU 91 N 0.00 0.57 0.07 1.61 4.81 -1.98 -3.18 114.58 116.49 1dub h GLU 91 Ca -0.31 -0.14 -0.30 0.00 -0.13 0.00 0.00 59.36 58.48 1dub h GLU 91 Cb 1.18 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1dub h GLU 91 CO 0.48 0.63 -1.56 -0.22 -0.73 0.00 0.00 179.01 177.62 1dub h LYS 92 N 0.54 0.16 -2.57 1.92 3.64 -1.96 -3.17 116.57 115.14 1dub h LYS 92 Ca 0.11 -0.27 -0.10 0.00 -1.27 0.00 0.00 60.65 59.12 1dub h LYS 92 Cb 0.41 0.10 -0.25 0.00 -0.41 0.00 0.00 32.23 32.07 1dub h LYS 92 CO 0.02 0.95 -0.23 0.00 -2.27 0.00 0.00 179.45 177.92 1dub s ALA 93 N -2.62 -1.16 -0.08 5.00 0.00 -1.20 -1.77 121.76 119.93 1dub s ALA 93 Ca -0.08 1.58 -0.27 0.00 0.00 0.00 0.00 51.96 53.18 1dub s ALA 93 Cb 0.07 -0.94 -0.23 0.00 0.00 0.00 0.00 23.12 22.02 1dub s ALA 93 CO 0.83 -0.27 1.02 0.35 0.00 0.00 0.00 175.76 177.70 1dub h PHE 94 N 6.70 -0.00 -0.63 0.00 3.57 0.36 -0.47 116.94 126.47 1dub h PHE 94 Ca -0.34 -0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.38 1dub h PHE 94 Cb 1.19 0.00 -0.28 0.00 2.79 0.00 0.00 35.95 39.65 1dub h PHE 94 CO 0.26 0.73 0.51 0.00 -2.23 0.00 0.00 178.31 177.58 1dub s ALA 95 N -3.27 -2.95 -1.84 2.41 0.00 -0.87 -4.35 121.76 110.88 1dub s ALA 95 Ca -0.17 1.92 0.30 0.00 0.00 0.00 0.00 51.96 54.01 1dub s ALA 95 Cb -0.01 -2.13 1.73 0.00 0.00 0.00 0.00 23.12 22.71 1dub s ALA 95 CO 0.68 -0.77 2.12 0.00 0.00 0.00 0.00 175.76 177.78 1dub n ALA 96 N 4.23 2.58 0.00 0.00 0.00 -0.13 -1.84 120.51 125.36 1dub n ALA 96 Ca -0.10 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1dub n ALA 96 Cb 0.55 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1dub n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dub n GLY 97 N 0.99 0.70 3.81 0.00 0.00 -0.93 -4.55 105.19 105.21 1dub n GLY 97 Ca 0.20 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 1dub n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dub s ALA 98 N -1.42 2.29 -0.49 4.61 0.00 -1.26 0.22 121.76 125.72 1dub s ALA 98 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 1dub s ALA 98 Cb 0.00 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 20.06 1dub s ALA 98 CO 0.00 -1.70 1.17 0.34 0.00 0.00 0.00 175.76 175.57 1dub s ASP 99 N -3.97 6.58 0.27 0.00 -1.08 -1.24 -4.50 116.67 112.73 1dub s ASP 99 Ca 0.61 0.45 -0.01 0.00 -0.52 0.00 0.00 52.55 53.07 1dub s ASP 99 Cb -0.14 -2.55 0.38 0.00 -1.46 0.00 0.00 42.92 39.15 1dub s ASP 99 CO 0.54 -1.30 1.80 0.40 0.52 0.00 0.00 175.17 177.13 1dub h ILE 100 N 6.25 1.23 -0.51 4.11 2.04 -1.96 -2.14 117.51 126.53 1dub h ILE 100 Ca -0.24 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 1dub h ILE 100 Cb 1.06 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1dub h ILE 100 CO 1.13 0.32 0.21 0.11 0.00 0.00 0.00 178.15 179.92 1dub h LYS 101 N 0.78 0.73 0.00 2.37 1.57 -2.00 0.20 116.57 120.21 1dub h LYS 101 Ca 0.17 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1dub h LYS 101 Cb 0.34 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1dub h LYS 101 CO 0.01 0.60 -0.09 0.93 -0.57 0.00 0.00 179.45 180.32 1dub h GLU 102 N 0.72 0.00 0.00 3.15 5.08 -1.81 -3.29 114.58 118.43 1dub h GLU 102 Ca 0.18 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.33 1dub h GLU 102 Cb 0.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1dub h GLU 102 CO -0.02 0.09 -1.78 -1.33 -1.00 0.00 0.00 179.01 174.97 1dub n MET 103 N -3.12 0.65 -0.34 2.33 2.81 -0.55 -4.60 117.12 114.30 1dub n MET 103 Ca 0.04 0.10 0.18 0.00 -1.81 0.00 0.00 57.70 56.20 1dub n MET 103 Cb 0.56 -1.69 0.35 0.00 -0.71 0.00 0.00 33.22 31.73 1dub n MET 103 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 1dub h GLN 104 N 0.00 0.02 -0.53 0.03 4.15 -0.74 -1.04 115.11 117.00 1dub h GLN 104 Ca -0.25 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.17 1dub h GLN 104 Cb 1.69 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.38 1dub h GLN 104 CO 0.04 0.01 0.00 0.09 -1.93 0.00 0.00 178.83 177.04 1dub n ASN 105 N -5.43 2.90 -4.80 -0.69 3.02 -1.26 -4.95 115.26 104.06 1dub n ASN 105 Ca 0.26 -1.99 -0.34 0.00 -0.03 0.00 0.00 54.58 52.47 1dub n ASN 105 Cb 0.86 -0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.63 1dub n ASN 105 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1dub s ARG 106 N -1.29 3.95 0.38 3.52 1.81 -0.40 -5.07 118.95 121.86 1dub s ARG 106 Ca 0.36 1.36 0.08 0.00 -1.72 0.00 0.00 55.73 55.82 1dub s ARG 106 Cb 0.19 -2.21 -0.05 0.00 -0.45 0.00 0.00 34.95 32.43 1dub s ARG 106 CO 0.25 -0.31 0.12 0.95 -0.68 0.00 0.00 175.30 175.63 1dub s THR 107 N -1.93 2.49 0.18 0.02 -4.23 -1.26 -4.98 115.64 105.93 1dub s THR 107 Ca 0.64 -1.79 -0.13 0.00 -1.18 0.00 0.00 61.69 59.23 1dub s THR 107 Cb -0.17 -2.94 0.08 0.00 1.34 0.00 0.00 72.50 70.82 1dub s THR 107 CO 0.21 -0.08 1.76 0.15 -0.54 0.00 0.00 174.62 176.11 1dub h PHE 108 N 1.57 0.37 -0.02 3.99 3.57 -1.99 0.76 116.94 125.19 1dub h PHE 108 Ca -0.43 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.07 1dub h PHE 108 Cb 1.25 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 1dub h PHE 108 CO 0.65 0.15 -0.08 1.96 -2.23 0.00 0.00 178.31 178.77 1dub h GLN 109 N 0.41 0.03 -0.16 1.11 7.50 -1.99 -1.06 115.11 120.95 1dub h GLN 109 Ca 0.23 -0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.31 1dub h GLN 109 Cb 0.20 -0.01 -0.00 0.00 0.05 0.00 0.00 27.48 27.73 1dub h GLN 109 CO -0.21 0.11 -0.15 -0.44 -1.50 0.00 0.00 178.83 176.64 1dub h ASP 110 N 0.03 0.41 0.02 1.46 3.32 -1.28 -2.27 116.42 118.10 1dub h ASP 110 Ca 0.01 -0.48 0.03 0.00 0.02 0.00 0.00 57.03 56.61 1dub h ASP 110 Cb 0.16 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1dub h ASP 110 CO 0.01 0.80 -0.33 0.00 -1.72 0.00 0.00 179.24 178.01 1dub n TYR 112 N -5.42 0.00 0.17 0.00 9.36 -0.47 -1.80 117.16 119.00 1dub n TYR 112 Ca -0.05 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.25 1dub n TYR 112 Cb 0.33 -0.40 0.59 0.00 -0.63 0.00 0.00 39.34 39.23 1dub n TYR 112 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1dub h SER 113 N 0.00 0.13 -0.33 2.98 4.64 -1.46 -1.49 113.55 118.02 1dub h SER 113 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dub h SER 113 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1dub h SER 113 CO 0.00 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1dub n GLY 114 N -1.53 0.75 4.34 -0.77 0.00 0.91 -4.93 105.19 103.97 1dub n GLY 114 Ca -0.00 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 1dub n GLY 114 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dub n LYS 115 N 0.47 -1.07 -1.60 1.61 5.02 -0.56 -4.76 118.16 117.27 1dub n LYS 115 Ca 0.11 0.12 -0.55 0.00 -2.02 0.00 0.00 58.31 55.98 1dub n LYS 115 Cb 0.33 -3.88 -0.07 0.00 -0.02 0.00 0.00 35.03 31.39 1dub n LYS 115 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1dub n PHE 116 N -4.47 1.46 -1.10 2.13 7.35 -0.82 -1.72 117.46 120.29 1dub n PHE 116 Ca -0.23 0.72 -0.03 0.00 -0.76 0.00 0.00 57.45 57.14 1dub n PHE 116 Cb 0.65 -2.31 -0.01 0.00 0.35 0.00 0.00 39.48 38.16 1dub n PHE 116 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1dub n LEU 117 N 2.85 -0.11 0.16 -2.13 7.94 -1.26 -4.92 117.00 119.52 1dub n LEU 117 Ca 0.20 0.08 0.13 0.00 -1.11 0.00 0.00 56.01 55.32 1dub n LEU 117 Cb 0.15 -1.15 0.50 0.00 0.53 0.00 0.00 43.42 43.45 1dub n LEU 117 CO 0.66 -0.31 0.89 0.77 -1.11 0.00 0.00 177.39 178.28 1dub h SER 118 N 0.00 0.00 -0.17 1.96 4.64 -1.68 -2.29 113.55 116.01 1dub h SER 118 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1dub h SER 118 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1dub h SER 118 CO 0.10 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.47 1dub n HIS 119 N -2.44 0.21 -0.19 4.77 8.25 -1.26 -4.35 115.22 120.20 1dub n HIS 119 Ca 0.02 -0.10 -0.10 0.00 -0.26 0.00 0.00 57.72 57.28 1dub n HIS 119 Cb 0.29 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.41 1dub n HIS 119 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1dub h TRP 120 N 3.88 1.15 -0.61 4.41 4.06 -1.81 -3.18 115.95 123.85 1dub h TRP 120 Ca 0.00 -0.23 -0.25 0.00 2.06 0.00 0.00 58.89 60.47 1dub h TRP 120 Cb 0.84 -0.29 -0.15 0.00 -1.00 0.00 0.00 29.16 28.56 1dub h TRP 120 CO 0.10 1.05 0.32 -0.40 -3.56 0.00 0.00 178.44 175.96 1dub n ASP 121 N -4.17 3.77 0.18 -3.49 5.75 -1.26 -4.36 116.55 112.97 1dub n ASP 121 Ca 0.02 -2.98 0.02 0.00 -0.01 0.00 0.00 54.79 51.83 1dub n ASP 121 Cb 0.39 -0.71 0.32 0.00 -1.03 0.00 0.00 41.12 40.09 1dub n ASP 121 CO 0.00 0.00 0.00 -0.74 -0.11 0.00 0.00 177.20 176.35 1dub h HIS 122 N 1.33 0.00 -0.54 2.11 2.76 -1.84 -2.23 115.15 116.74 1dub h HIS 122 Ca 0.31 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.62 1dub h HIS 122 Cb 2.08 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 31.02 1dub h HIS 122 CO 1.01 0.43 0.38 0.97 -1.30 0.00 0.00 177.93 179.42 1dub h ILE 123 N 0.00 0.79 0.00 6.26 2.10 -1.86 0.32 117.51 125.12 1dub h ILE 123 Ca -0.00 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.89 1dub h ILE 123 Cb 0.77 0.65 0.00 0.00 -1.09 0.00 0.00 36.82 37.15 1dub h ILE 123 CO 0.06 0.02 0.00 0.35 -1.08 0.00 0.00 178.15 177.50 1dub n THR 124 N -4.42 0.31 0.91 2.19 -2.24 -0.84 -2.23 114.28 107.97 1dub n THR 124 Ca 0.10 0.08 0.10 0.00 -2.27 0.00 0.00 64.05 62.06 1dub n THR 124 Cb 0.52 -0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 67.93 1dub n THR 124 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1dub n ARG 125 N -1.20 0.06 -2.40 -0.78 1.74 0.11 -4.92 116.66 109.27 1dub n ARG 125 Ca 0.10 -0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.75 1dub n ARG 125 Cb 0.12 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 1dub n ARG 125 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1dub s ILE 126 N -3.04 4.04 0.07 0.55 -1.09 -0.95 -4.95 121.20 115.83 1dub s ILE 126 Ca 0.07 1.43 -0.10 0.00 -2.23 0.00 0.00 60.65 59.82 1dub s ILE 126 Cb 0.16 -3.92 -0.28 0.00 -1.58 0.00 0.00 42.46 36.84 1dub s ILE 126 CO 0.84 0.06 1.13 0.11 -1.23 0.00 0.00 174.94 175.85 1dub h LYS 127 N 7.15 0.49 -7.10 2.79 1.79 -1.91 -3.46 116.57 116.32 1dub h LYS 127 Ca -0.39 -0.69 -0.51 0.00 -2.18 0.00 0.00 60.65 56.88 1dub h LYS 127 Cb 1.19 0.23 0.09 0.00 -1.58 0.00 0.00 32.23 32.17 1dub h LYS 127 CO 0.85 1.30 0.44 0.15 -1.08 0.00 0.00 179.45 181.11 1dub s LYS 128 N -2.90 3.18 0.42 3.15 1.02 -1.26 -4.60 119.74 118.74 1dub s LYS 128 Ca -0.07 1.68 -0.25 0.00 0.02 0.00 0.00 55.97 57.34 1dub s LYS 128 Cb 0.06 -1.97 -0.08 0.00 -0.52 0.00 0.00 37.83 35.32 1dub s LYS 128 CO 0.91 -1.01 1.25 -2.14 -0.92 0.00 0.00 175.35 173.45 1dub s PRO 129 N -3.35 3.91 -0.08 -1.68 0.02 -1.26 -4.86 135.00 127.70 1dub s PRO 129 Ca 0.74 2.03 0.03 0.00 0.02 0.00 0.00 61.00 63.82 1dub s PRO 129 Cb -0.26 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.61 1dub s PRO 129 CO 0.30 -0.50 -0.19 0.08 -0.33 0.00 0.00 177.00 176.36 1dub s VAL 130 N -1.34 1.63 -0.12 3.83 1.01 -1.26 -0.81 120.40 123.34 1dub s VAL 130 Ca 0.59 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1dub s VAL 130 Cb -0.35 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 1dub s VAL 130 CO 0.44 0.46 -0.14 -0.63 0.00 0.00 0.00 175.10 175.23 1dub s ILE 131 N 0.43 2.93 -0.20 2.22 1.01 0.46 -1.50 121.20 126.55 1dub s ILE 131 Ca -0.15 -0.71 -0.15 0.00 0.00 0.00 0.00 60.65 59.64 1dub s ILE 131 Cb -0.16 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1dub s ILE 131 CO 0.06 0.53 0.35 0.00 0.00 0.00 0.00 174.94 175.89 1dub s ALA 132 N 0.32 3.57 -0.62 9.38 0.00 0.09 -0.37 121.76 134.13 1dub s ALA 132 Ca -0.12 -0.55 -0.09 0.00 0.00 0.00 0.00 51.96 51.20 1dub s ALA 132 Cb -0.16 -2.56 0.16 0.00 0.00 0.00 0.00 23.12 20.56 1dub s ALA 132 CO 0.06 -0.22 0.50 0.00 0.00 0.00 0.00 175.76 176.09 1dub s ALA 133 N 1.14 3.65 -0.45 0.00 0.00 0.11 -0.54 121.76 125.67 1dub s ALA 133 Ca 0.17 -2.97 -0.22 0.00 0.00 0.00 0.00 51.96 48.94 1dub s ALA 133 Cb -0.14 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.02 1dub s ALA 133 CO 0.07 -2.07 0.73 0.08 0.00 0.00 0.00 175.76 174.56 1dub s VAL 134 N 0.61 4.72 -0.09 0.00 1.01 0.41 -4.29 120.40 122.77 1dub s VAL 134 Ca 0.12 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.37 1dub s VAL 134 Cb -0.20 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 1dub s VAL 134 CO -0.04 -0.68 -0.07 0.20 0.00 0.00 0.00 175.10 174.51 1dub s ASN 135 N 2.11 4.60 0.64 3.32 0.01 -1.26 -0.22 114.94 124.14 1dub s ASN 135 Ca 0.26 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.34 1dub s ASN 135 Cb -0.13 -1.31 0.00 0.00 0.41 0.00 0.00 41.25 40.21 1dub s ASN 135 CO 0.21 0.31 0.00 0.61 -1.51 0.00 0.00 177.10 176.72 1dub n GLY 136 N 2.59 1.72 3.73 0.66 0.00 -1.20 -1.79 105.19 110.91 1dub n GLY 136 Ca -0.18 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1dub n GLY 136 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dub s TYR 137 N 0.00 3.30 -0.40 1.61 2.02 -0.73 -0.35 117.35 122.79 1dub s TYR 137 Ca 0.00 1.21 0.02 0.00 -0.37 0.00 0.00 57.07 57.93 1dub s TYR 137 Cb 0.00 -3.57 0.16 0.00 -0.40 0.00 0.00 41.96 38.14 1dub s TYR 137 CO 0.00 -1.81 0.29 0.00 -1.57 0.00 0.00 175.55 172.46 1dub s ALA 138 N 0.38 1.39 0.09 3.71 0.00 0.50 -0.04 121.76 127.78 1dub s ALA 138 Ca 0.58 -2.31 0.08 0.00 0.00 0.00 0.00 51.96 50.31 1dub s ALA 138 Cb -0.35 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1dub s ALA 138 CO 0.35 -2.03 -0.17 -0.51 0.00 0.00 0.00 175.76 173.40 1dub s LEU 139 N 0.37 2.69 0.00 0.00 1.43 -0.77 -2.62 118.68 119.79 1dub s LEU 139 Ca 0.26 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1dub s LEU 139 Cb -0.08 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.58 1dub s LEU 139 CO -0.11 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.29 1dub n GLY 140 N 1.09 3.60 0.34 -3.19 0.00 0.16 -0.23 105.19 106.95 1dub n GLY 140 Ca -0.16 0.01 0.20 0.00 0.00 0.00 0.00 46.02 46.08 1dub n GLY 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dub h GLY 141 N 0.00 0.00 0.89 -0.02 0.00 -1.85 -0.83 103.07 101.25 1dub h GLY 141 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1dub h GLY 141 CO 0.00 0.00 -0.52 -1.33 0.00 0.00 0.00 176.54 174.69 1dub h GLY 142 N 0.00 0.58 0.99 4.60 0.00 -0.74 -1.33 103.07 107.17 1dub h GLY 142 Ca 0.01 -0.83 -0.03 0.00 0.00 0.00 0.00 47.33 46.48 1dub h GLY 142 CO -0.00 0.74 0.23 0.00 0.00 0.00 0.00 176.54 177.51 1dub h GLU 144 N 0.77 0.64 -0.36 0.00 5.08 -1.33 0.42 114.58 119.80 1dub h GLU 144 Ca 0.19 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1dub h GLU 144 Cb 0.19 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1dub h GLU 144 CO -0.02 0.61 -0.17 1.25 -1.00 0.00 0.00 179.01 179.69 1dub h LEU 145 N 0.62 0.78 -0.51 1.33 5.85 -0.93 -1.51 115.31 120.93 1dub h LEU 145 Ca 0.14 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1dub h LEU 145 Cb 0.29 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1dub h LEU 145 CO 0.00 1.01 0.22 0.00 -0.34 0.00 0.00 178.44 179.33 1dub h ALA 146 N 0.80 0.66 0.00 1.25 0.00 -0.86 -2.37 119.26 118.73 1dub h ALA 146 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1dub h ALA 146 Cb 0.71 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1dub h ALA 146 CO 0.05 0.25 0.00 0.52 0.00 0.00 0.00 179.25 180.07 1dub h MET 147 N 0.68 0.00 0.00 0.00 2.86 -0.81 -1.91 114.93 115.75 1dub h MET 147 Ca 0.17 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.75 1dub h MET 147 Cb 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1dub h MET 147 CO -0.02 0.00 -0.32 0.52 1.06 0.00 0.00 176.91 178.15 1dub h MET 148 N 0.00 0.00 -7.18 1.72 2.07 -0.74 -3.44 114.93 107.35 1dub h MET 148 Ca 0.00 0.00 -0.50 0.00 -2.07 0.00 0.00 59.70 57.13 1dub h MET 148 Cb 0.50 0.00 0.09 0.00 -1.87 0.00 0.00 31.60 30.32 1dub h MET 148 CO 0.00 0.32 0.38 0.00 1.07 0.00 0.00 176.91 178.68 1dub h ASP 150 N 0.26 0.87 -4.26 0.00 3.32 -1.54 -3.45 116.42 111.63 1dub h ASP 150 Ca -0.47 -0.37 -0.41 0.00 0.02 0.00 0.00 57.03 55.80 1dub h ASP 150 Cb 1.24 -0.24 -0.26 0.00 0.22 0.00 0.00 39.33 40.29 1dub h ASP 150 CO 0.55 1.04 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.70 1dub s ILE 151 N -4.77 0.89 -0.11 0.35 1.01 -1.15 -5.05 121.20 112.37 1dub s ILE 151 Ca -0.12 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1dub s ILE 151 Cb 0.11 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.79 1dub s ILE 151 CO 0.84 0.05 -0.17 -0.63 0.00 0.00 0.00 174.94 175.03 1dub s ILE 152 N -0.64 1.64 -0.07 2.92 1.01 -1.26 -0.73 121.20 124.07 1dub s ILE 152 Ca 0.01 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1dub s ILE 152 Cb -0.06 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 1dub s ILE 152 CO 0.00 0.47 -0.09 -0.31 0.00 0.00 0.00 174.94 175.01 1dub s TYR 153 N 0.92 2.86 0.05 3.97 1.51 0.30 -1.85 117.35 125.11 1dub s TYR 153 Ca -0.07 -0.09 0.09 0.00 -1.01 0.00 0.00 57.07 55.99 1dub s TYR 153 Cb -0.15 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.96 1dub s TYR 153 CO -0.01 0.24 -0.25 0.00 -1.11 0.00 0.00 175.55 174.42 1dub s ALA 154 N -0.66 2.11 0.67 3.71 0.00 -0.49 -0.44 121.76 126.66 1dub s ALA 154 Ca 0.10 -1.22 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 1dub s ALA 154 Cb -0.11 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1dub s ALA 154 CO 0.01 0.49 1.05 0.20 0.00 0.00 0.00 175.76 177.52 1dub s GLY 155 N -1.28 1.68 0.61 0.00 0.00 0.69 -0.45 107.32 108.57 1dub s GLY 155 Ca 0.11 0.04 0.32 0.00 0.00 0.00 0.00 44.72 45.20 1dub s GLY 155 CO 0.02 0.34 2.20 0.83 0.00 0.00 0.00 173.10 176.49 1dub h GLU 156 N -0.56 0.00 -0.51 2.90 5.08 -1.37 -1.53 114.58 118.59 1dub h GLU 156 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1dub h GLU 156 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1dub h GLU 156 CO 0.58 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.22 1dub n LYS 157 N -3.60 3.04 -1.73 2.33 4.76 -1.26 -4.70 118.16 117.00 1dub n LYS 157 Ca -0.01 -2.49 -0.34 0.00 -2.87 0.00 0.00 58.31 52.60 1dub n LYS 157 Cb 0.19 -1.55 0.05 0.00 -1.84 0.00 0.00 35.03 31.88 1dub n LYS 157 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1dub s ALA 158 N -1.37 2.40 -0.05 7.82 0.00 -0.58 -4.10 121.76 125.88 1dub s ALA 158 Ca 0.39 0.66 -0.02 0.00 0.00 0.00 0.00 51.96 52.98 1dub s ALA 158 Cb 0.23 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 20.02 1dub s ALA 158 CO 0.22 -1.37 0.10 -0.65 0.00 0.00 0.00 175.76 174.06 1dub s GLN 159 N -3.97 0.06 0.06 0.00 -0.21 0.52 -2.51 119.66 113.62 1dub s GLN 159 Ca 0.69 0.27 0.07 0.00 0.02 0.00 0.00 55.36 56.41 1dub s GLN 159 Cb -0.23 -0.15 -0.04 0.00 1.00 0.00 0.00 33.01 33.60 1dub s GLN 159 CO 0.41 -0.13 -0.15 -0.06 -2.12 0.00 0.00 175.29 173.23 1dub s PHE 160 N 0.91 2.62 -0.19 0.91 0.40 -0.48 -0.37 117.98 121.78 1dub s PHE 160 Ca -0.07 -0.22 -0.35 0.00 -0.60 0.00 0.00 56.93 55.69 1dub s PHE 160 Cb -0.10 -1.45 0.14 0.00 0.51 0.00 0.00 43.02 42.12 1dub s PHE 160 CO -0.04 0.32 1.26 0.20 0.70 0.00 0.00 175.22 177.67 1dub s GLY 161 N -1.70 -0.29 -0.61 4.36 0.00 -1.08 -0.65 107.32 107.35 1dub s GLY 161 Ca 0.17 1.54 0.05 0.00 0.00 0.00 0.00 44.72 46.48 1dub s GLY 161 CO 0.08 0.50 0.43 1.20 0.00 0.00 0.00 173.10 175.31 1dub s GLN 162 N -2.33 1.98 -0.01 2.90 -1.52 -1.26 -0.66 119.66 118.76 1dub s GLN 162 Ca 0.11 -2.93 0.02 0.00 -1.95 0.00 0.00 55.36 50.61 1dub s GLN 162 Cb -0.00 -2.84 0.06 0.00 -0.22 0.00 0.00 33.01 30.01 1dub s GLN 162 CO -0.04 -1.30 0.87 -0.35 -0.25 0.00 0.00 175.29 174.22 1dub n PRO 163 N 2.33 1.23 -0.36 2.91 -0.04 -1.26 -4.26 135.00 135.54 1dub n PRO 163 Ca 0.21 -0.25 0.07 0.00 -0.04 0.00 0.00 63.50 63.49 1dub n PRO 163 Cb 0.38 -1.26 0.23 0.00 -0.04 0.00 0.00 33.50 32.81 1dub n PRO 163 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1dub h GLU 164 N 0.37 0.99 -0.04 0.54 3.07 -1.90 -1.66 114.58 115.95 1dub h GLU 164 Ca 0.00 -0.06 0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1dub h GLU 164 Cb 0.31 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1dub h GLU 164 CO 0.02 0.65 0.03 0.97 -1.40 0.00 0.00 179.01 179.28 1dub h ILE 165 N 1.02 0.96 0.00 3.13 6.09 -1.60 -0.30 117.51 126.81 1dub h ILE 165 Ca 0.49 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.98 1dub h ILE 165 Cb 0.45 0.98 0.00 0.00 0.47 0.00 0.00 36.82 38.72 1dub h ILE 165 CO -0.26 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.00 1dub n LEU 166 N -4.49 0.63 -1.02 2.19 4.77 -0.62 -1.81 117.00 116.65 1dub n LEU 166 Ca -0.02 0.64 0.08 0.00 -0.03 0.00 0.00 56.01 56.68 1dub n LEU 166 Cb 0.13 -0.54 0.25 0.00 -2.33 0.00 0.00 43.42 40.93 1dub n LEU 166 CO 0.34 -0.48 0.71 0.18 -1.33 0.00 0.00 177.39 176.81 1dub n LEU 167 N -2.18 3.71 -1.02 2.23 4.77 -0.17 -4.95 117.00 119.38 1dub n LEU 167 Ca 0.03 -2.29 -0.11 0.00 -0.03 0.00 0.00 56.01 53.61 1dub n LEU 167 Cb 0.25 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1dub n LEU 167 CO 0.21 0.78 -0.12 0.61 -1.33 0.00 0.00 177.39 177.54 1dub n GLY 168 N 0.64 0.58 3.06 -0.72 0.00 -0.75 -5.01 105.19 103.00 1dub n GLY 168 Ca 0.19 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 1dub n GLY 168 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1dub n THR 169 N -3.33 0.00 -4.49 2.61 5.66 -0.91 -5.01 114.28 108.81 1dub n THR 169 Ca -0.12 -2.26 -0.23 0.00 -3.05 0.00 0.00 64.05 58.39 1dub n THR 169 Cb 0.47 1.00 -0.11 0.00 -1.55 0.00 0.00 70.33 70.15 1dub n THR 169 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1dub s ILE 170 N -3.16 1.61 0.35 1.09 -4.36 -1.26 -2.10 121.20 113.37 1dub s ILE 170 Ca 0.30 -2.06 -0.29 0.00 -0.26 0.00 0.00 60.65 58.35 1dub s ILE 170 Cb 0.01 -2.72 -0.11 0.00 1.25 0.00 0.00 42.46 40.89 1dub s ILE 170 CO 0.21 -0.11 1.53 -2.84 0.24 0.00 0.00 174.94 173.97 1dub s PRO 171 N -3.77 4.11 0.00 0.37 0.02 -1.26 -4.91 135.00 129.55 1dub s PRO 171 Ca 0.34 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.94 1dub s PRO 171 Cb 0.07 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.60 1dub s PRO 171 CO 0.15 -0.58 0.84 0.41 -0.33 0.00 0.00 177.00 177.49 1dub n GLY 172 N 1.11 1.56 2.64 0.52 0.00 -1.26 -4.69 105.19 105.07 1dub n GLY 172 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 1dub n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dub n ALA 173 N -0.34 3.37 -0.11 4.61 0.00 -1.26 -4.96 120.51 121.82 1dub n ALA 173 Ca 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.31 1dub n ALA 173 Cb 0.18 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1dub n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dub n GLY 174 N -0.47 0.64 0.29 0.00 0.00 -1.26 -4.82 105.19 99.57 1dub n GLY 174 Ca 0.16 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.36 1dub n GLY 174 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dub h GLY 175 N 0.00 0.00 0.14 -0.02 0.00 -1.93 0.10 103.07 101.36 1dub h GLY 175 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dub h GLY 175 CO 0.00 0.00 -0.71 -1.30 0.00 0.00 0.00 176.54 174.53 1dub n THR 176 N -3.18 0.00 -0.06 4.70 -2.24 -1.26 -4.14 114.28 108.10 1dub n THR 176 Ca -0.01 -0.05 -0.07 0.00 -2.27 0.00 0.00 64.05 61.65 1dub n THR 176 Cb 0.23 0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 69.21 1dub n THR 176 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dub n GLN 177 N -1.18 0.42 -0.03 -0.78 1.13 -0.65 -4.17 117.38 112.12 1dub n GLN 177 Ca 0.06 0.16 -0.07 0.00 -1.94 0.00 0.00 57.00 55.21 1dub n GLN 177 Cb 0.36 -1.23 0.11 0.00 0.11 0.00 0.00 30.24 29.58 1dub n GLN 177 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dub h ARG 178 N -0.78 0.62 0.23 -1.09 3.08 -1.11 -1.83 114.38 113.50 1dub h ARG 178 Ca -0.00 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 1dub h ARG 178 Cb 0.79 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1dub h ARG 178 CO -0.00 0.88 -0.11 1.25 -1.07 0.00 0.00 179.97 180.91 1dub h LEU 179 N 0.52 -0.27 -0.61 3.04 5.85 -1.72 -1.98 115.31 120.15 1dub h LEU 179 Ca 0.05 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1dub h LEU 179 Cb 0.85 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 1dub h LEU 179 CO 0.07 -0.11 0.33 0.74 -0.34 0.00 0.00 178.44 179.13 1dub h THR 180 N -0.40 0.97 0.00 1.05 2.02 -1.70 0.28 112.91 115.13 1dub h THR 180 Ca -0.03 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1dub h THR 180 Cb 0.31 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1dub h THR 180 CO 0.05 0.11 -0.13 0.03 0.37 0.00 0.00 175.52 175.96 1dub h ARG 181 N 0.63 0.00 0.05 6.66 3.08 -1.17 -0.37 114.38 123.25 1dub h ARG 181 Ca 0.27 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.96 1dub h ARG 181 Cb 0.16 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1dub h ARG 181 CO -0.17 0.13 -2.17 0.00 -1.07 0.00 0.00 179.97 176.68 1dub n ALA 182 N -2.28 1.21 0.29 0.04 0.00 -0.68 -4.65 120.51 114.45 1dub n ALA 182 Ca -0.02 -0.87 0.08 0.00 0.00 0.00 0.00 53.44 52.64 1dub n ALA 182 Cb 0.25 -0.45 -0.11 0.00 0.00 0.00 0.00 19.45 19.14 1dub n ALA 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dub n VAL 183 N -3.28 0.00 0.00 0.00 0.31 0.00 -4.49 118.33 110.87 1dub n VAL 183 Ca -0.35 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 1dub n VAL 183 Cb 1.04 0.47 0.00 0.00 -0.91 0.00 0.00 33.84 34.43 1dub n VAL 183 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dub n GLY 184 N 1.49 2.28 0.14 2.92 0.00 -0.15 -4.54 105.19 107.32 1dub n GLY 184 Ca -0.01 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 1dub n GLY 184 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1dub h LYS 185 N 0.00 0.38 0.10 1.61 3.64 -1.95 -1.55 116.57 118.79 1dub h LYS 185 Ca 0.00 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1dub h LYS 185 Cb 0.00 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1dub h LYS 185 CO 0.00 0.31 -0.17 1.03 -2.27 0.00 0.00 179.45 178.35 1dub h SER 186 N 0.34 -0.48 -0.31 4.20 0.87 -1.96 0.18 113.55 116.39 1dub h SER 186 Ca 0.10 0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.59 1dub h SER 186 Cb 0.04 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1dub h SER 186 CO -0.02 -0.25 -0.31 0.25 -0.53 0.00 0.00 176.83 175.97 1dub h LEU 187 N -0.33 0.80 -0.27 2.23 5.85 -1.79 -0.80 115.31 120.99 1dub h LEU 187 Ca 0.03 -0.47 0.04 0.00 0.84 0.00 0.00 57.88 58.32 1dub h LEU 187 Cb 0.35 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1dub h LEU 187 CO -0.10 1.11 0.03 0.00 -0.34 0.00 0.00 178.44 179.14 1dub h ALA 188 N 0.72 0.27 -0.26 1.25 0.00 -1.16 0.89 119.26 120.96 1dub h ALA 188 Ca 0.05 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1dub h ALA 188 Cb 0.89 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1dub h ALA 188 CO 0.08 -0.39 0.15 0.52 0.00 0.00 0.00 179.25 179.61 1dub h MET 189 N 0.12 0.30 -0.80 0.00 2.86 -0.49 1.00 114.93 117.91 1dub h MET 189 Ca 0.13 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1dub h MET 189 Cb 0.15 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 1dub h MET 189 CO -0.19 0.20 0.53 1.49 1.06 0.00 0.00 176.91 180.00 1dub h GLU 190 N 0.31 1.06 -0.17 1.72 4.81 -0.61 0.90 114.58 122.60 1dub h GLU 190 Ca 0.10 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 1dub h GLU 190 Cb 0.00 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.15 1dub h GLU 190 CO -0.05 0.70 -0.42 0.52 -0.73 0.00 0.00 179.01 179.03 1dub h MET 191 N 1.09 0.59 -0.13 1.92 2.86 -0.25 -2.31 114.93 118.70 1dub h MET 191 Ca 0.29 -0.40 -0.17 0.00 -2.06 0.00 0.00 59.70 57.36 1dub h MET 191 Cb -0.13 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1dub h MET 191 CO -0.06 1.02 -0.63 0.28 1.06 0.00 0.00 176.91 178.57 1dub h VAL 192 N 0.24 1.35 0.00 -2.22 2.07 -0.66 0.92 116.25 117.95 1dub h VAL 192 Ca -0.00 -1.95 -0.18 0.00 0.82 0.00 0.00 66.70 65.38 1dub h VAL 192 Cb 1.03 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.70 1dub h VAL 192 CO 0.09 0.60 -0.98 -0.07 0.02 0.00 0.00 177.57 177.23 1dub h LEU 193 N 0.35 0.00 0.00 2.57 3.38 -0.87 -3.38 115.31 117.35 1dub h LEU 193 Ca -0.01 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 1dub h LEU 193 Cb 1.19 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 1dub h LEU 193 CO 0.11 0.79 -2.02 0.35 0.09 0.00 0.00 178.44 177.77 1dub n THR 194 N -3.22 1.01 -0.58 0.22 -2.24 -0.87 -4.98 114.28 103.62 1dub n THR 194 Ca -0.03 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1dub n THR 194 Cb 0.88 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1dub n THR 194 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dub n GLY 195 N 2.08 0.73 3.75 3.38 0.00 0.32 -4.85 105.19 110.60 1dub n GLY 195 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1dub n GLY 195 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dub s ASP 196 N -2.24 5.25 0.21 1.61 1.01 -1.23 -4.34 116.67 116.93 1dub s ASP 196 Ca 0.00 2.39 -0.03 0.00 0.71 0.00 0.00 52.55 55.62 1dub s ASP 196 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1dub s ASP 196 CO 0.00 -1.55 0.44 -0.13 0.21 0.00 0.00 175.17 174.14 1dub s ARG 197 N -3.28 3.59 0.17 8.23 0.52 -1.26 -4.44 118.95 122.47 1dub s ARG 197 Ca 0.77 -0.15 0.11 0.00 -0.52 0.00 0.00 55.73 55.93 1dub s ARG 197 Cb -0.30 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 1dub s ARG 197 CO 0.33 0.37 -0.24 0.96 0.02 0.00 0.00 175.30 176.74 1dub s ILE 198 N -1.87 2.24 0.96 1.52 -4.36 0.17 -4.96 121.20 114.91 1dub s ILE 198 Ca 0.41 -1.92 -0.16 0.00 -0.26 0.00 0.00 60.65 58.73 1dub s ILE 198 Cb -0.11 -2.03 0.20 0.00 1.25 0.00 0.00 42.46 41.76 1dub s ILE 198 CO 0.28 -0.07 1.32 -0.94 0.24 0.00 0.00 174.94 175.76 1dub s SER 199 N -2.45 3.12 0.21 4.36 1.04 -1.26 -1.38 113.70 117.34 1dub s SER 199 Ca 0.17 0.29 -0.09 0.00 0.48 0.00 0.00 55.95 56.81 1dub s SER 199 Cb -0.08 -0.35 0.16 0.00 0.10 0.00 0.00 66.02 65.84 1dub s SER 199 CO 0.08 -2.73 1.81 0.00 0.98 0.00 0.00 173.24 173.38 1dub h ALA 200 N -1.64 1.02 0.29 5.32 0.00 -1.77 -1.31 119.26 121.17 1dub h ALA 200 Ca -0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1dub h ALA 200 Cb 1.24 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1dub h ALA 200 CO 0.39 0.57 -0.14 1.96 0.00 0.00 0.00 179.25 182.03 1dub h GLN 201 N 1.11 -0.38 -0.72 0.00 1.08 -1.90 -0.18 115.11 114.13 1dub h GLN 201 Ca 0.27 0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.50 1dub h GLN 201 Cb 0.10 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.58 1dub h GLN 201 CO -0.04 -0.22 0.45 -0.44 -0.95 0.00 0.00 178.83 177.63 1dub h ASP 202 N -0.43 0.85 -0.56 1.46 3.32 -1.88 0.98 116.42 120.16 1dub h ASP 202 Ca -0.04 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 1dub h ASP 202 Cb 0.33 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1dub h ASP 202 CO 0.07 0.64 0.19 0.00 -1.72 0.00 0.00 179.24 178.41 1dub h ALA 203 N 1.51 0.73 -0.08 3.45 0.00 -0.75 -1.04 119.26 123.09 1dub h ALA 203 Ca 0.26 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1dub h ALA 203 Cb -0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1dub h ALA 203 CO -0.05 0.38 -0.12 -0.22 0.00 0.00 0.00 179.25 179.24 1dub h LYS 204 N 0.78 0.22 -1.00 0.00 3.64 -0.52 0.21 116.57 119.90 1dub h LYS 204 Ca 0.18 -0.13 0.14 0.00 -1.27 0.00 0.00 60.65 59.57 1dub h LYS 204 Cb 0.27 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.01 1dub h LYS 204 CO -0.01 0.70 0.63 0.37 -2.27 0.00 0.00 179.45 178.87 1dub h GLN 205 N -0.24 0.91 -0.00 1.90 4.15 -0.76 -0.25 115.11 120.83 1dub h GLN 205 Ca 0.01 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1dub h GLN 205 Cb 0.68 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1dub h GLN 205 CO 0.03 0.60 -0.07 0.00 -1.93 0.00 0.00 178.83 177.46 1dub n ALA 206 N -2.34 2.54 -0.66 3.38 0.00 -0.40 -4.93 120.51 118.10 1dub n ALA 206 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1dub n ALA 206 Cb 0.41 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1dub n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dub n GLY 207 N 1.44 0.66 0.24 0.00 0.00 -0.10 -4.12 105.19 103.30 1dub n GLY 207 Ca 0.09 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1dub n GLY 207 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1dub h LEU 208 N 0.00 0.82 -8.54 0.99 5.85 -0.85 -3.44 115.31 110.13 1dub h LEU 208 Ca 0.00 -0.41 -0.54 0.00 0.84 0.00 0.00 57.88 57.77 1dub h LEU 208 Cb 0.00 -0.23 -0.24 0.00 0.37 0.00 0.00 40.66 40.56 1dub h LEU 208 CO 0.00 1.16 -0.82 0.68 -0.34 0.00 0.00 178.44 179.12 1dub s VAL 209 N -4.18 1.54 -0.81 1.05 -7.23 -1.15 -4.67 120.40 104.96 1dub s VAL 209 Ca -0.09 -1.30 0.22 0.00 -1.81 0.00 0.00 61.98 59.00 1dub s VAL 209 Cb 0.11 -1.38 -0.22 0.00 0.56 0.00 0.00 36.38 35.45 1dub s VAL 209 CO 0.86 0.04 0.88 -1.54 -0.31 0.00 0.00 175.10 175.04 1dub n SER 210 N 1.54 0.77 -3.75 4.85 3.41 -0.77 -4.19 113.62 115.48 1dub n SER 210 Ca -0.18 -0.71 -0.13 0.00 -0.26 0.00 0.00 58.87 57.58 1dub n SER 210 Cb 0.54 1.09 -0.09 0.00 -0.26 0.00 0.00 64.21 65.48 1dub n SER 210 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1dub s LYS 211 N -3.10 0.56 -0.11 4.33 2.47 -1.25 -5.08 119.74 117.57 1dub s LYS 211 Ca 0.05 0.18 0.04 0.00 -1.56 0.00 0.00 55.97 54.68 1dub s LYS 211 Cb 0.16 0.26 0.00 0.00 -1.46 0.00 0.00 37.83 36.79 1dub s LYS 211 CO 0.86 -0.12 -0.24 0.42 0.16 0.00 0.00 175.35 176.43 1dub s ILE 212 N -0.55 2.07 0.13 5.43 1.01 -1.26 -1.40 121.20 126.64 1dub s ILE 212 Ca -0.07 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.62 1dub s ILE 212 Cb -0.04 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1dub s ILE 212 CO 0.03 0.56 -0.11 -0.36 0.00 0.00 0.00 174.94 175.06 1dub s PHE 213 N 0.43 1.25 0.48 3.97 0.08 0.41 -4.95 117.98 119.63 1dub s PHE 213 Ca -0.17 -0.71 -0.23 0.00 0.12 0.00 0.00 56.93 55.94 1dub s PHE 213 Cb -0.18 -0.64 -0.08 0.00 -0.57 0.00 0.00 43.02 41.55 1dub s PHE 213 CO 0.07 0.08 1.20 -2.30 -0.10 0.00 0.00 175.22 174.17 1dub n PRO 214 N 0.04 1.62 -0.29 0.24 -0.02 -1.26 -1.06 135.00 134.27 1dub n PRO 214 Ca -0.12 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 1dub n PRO 214 Cb 0.60 -2.34 0.28 0.00 -0.02 0.00 0.00 33.50 32.01 1dub n PRO 214 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1dub h VAL 215 N 1.60 0.39 -0.12 -1.45 2.07 -1.93 0.22 116.25 117.03 1dub h VAL 215 Ca -0.48 -0.09 -0.15 0.00 0.82 0.00 0.00 66.70 66.79 1dub h VAL 215 Cb 1.31 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1dub h VAL 215 CO 0.57 0.05 -0.59 -0.33 0.02 0.00 0.00 177.57 177.30 1dub h GLU 216 N 0.27 0.39 -0.02 1.57 3.07 -2.02 -3.22 114.58 114.63 1dub h GLU 216 Ca 0.53 -0.26 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1dub h GLU 216 Cb 1.03 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1dub h GLU 216 CO -0.60 0.87 -0.40 0.25 -1.40 0.00 0.00 179.01 177.73 1dub n THR 217 N -3.91 0.00 -0.05 1.13 -2.24 -0.79 -4.65 114.28 103.76 1dub n THR 217 Ca -0.03 -0.28 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 1dub n THR 217 Cb 0.62 1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 70.02 1dub n THR 217 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1dub h LEU 218 N 2.66 -1.30 -1.14 3.22 5.85 -0.99 -0.05 115.31 123.56 1dub h LEU 218 Ca 0.00 0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 1dub h LEU 218 Cb 0.77 0.55 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 1dub h LEU 218 CO 0.00 -0.39 0.08 0.58 -0.34 0.00 0.00 178.44 178.36 1dub h VAL 219 N -0.41 1.21 -0.27 1.05 2.07 -1.82 -0.81 116.25 117.27 1dub h VAL 219 Ca 0.10 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1dub h VAL 219 Cb 0.60 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1dub h VAL 219 CO -0.46 0.28 0.12 -0.08 0.02 0.00 0.00 177.57 177.45 1dub h GLU 220 N 0.66 0.39 -0.73 1.57 4.81 -1.75 0.04 114.58 119.57 1dub h GLU 220 Ca 0.14 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1dub h GLU 220 Cb 0.30 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1dub h GLU 220 CO 0.00 0.40 0.30 0.93 -0.73 0.00 0.00 179.01 179.92 1dub h GLU 221 N 0.29 1.06 -0.14 1.92 4.39 -0.63 -0.16 114.58 121.31 1dub h GLU 221 Ca 0.09 -0.17 -0.14 0.00 0.34 0.00 0.00 59.36 59.48 1dub h GLU 221 Cb 0.15 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1dub h GLU 221 CO -0.01 0.85 -0.51 0.00 -1.16 0.00 0.00 179.01 178.19 1dub h ALA 222 N 1.29 0.86 -0.32 3.43 0.00 -0.90 -2.09 119.26 121.53 1dub h ALA 222 Ca 0.25 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1dub h ALA 222 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1dub h ALA 222 CO -0.02 0.67 -0.27 0.82 0.00 0.00 0.00 179.25 180.45 1dub h ILE 223 N 0.31 1.28 -0.30 0.00 2.04 -0.04 -1.03 117.51 119.75 1dub h ILE 223 Ca 0.01 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.52 1dub h ILE 223 Cb 1.00 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 1dub h ILE 223 CO 0.09 0.44 0.18 1.56 0.00 0.00 0.00 178.15 180.42 1dub h GLN 224 N 0.55 0.37 -0.61 2.37 4.20 -0.69 -0.04 115.11 121.26 1dub h GLN 224 Ca 0.07 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1dub h GLN 224 Cb 0.75 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 1dub h GLN 224 CO 0.06 0.24 0.17 0.00 -0.67 0.00 0.00 178.83 178.64 1dub h ALA 226 N 1.29 1.32 0.26 0.00 0.00 -0.71 -2.56 119.26 118.86 1dub h ALA 226 Ca 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1dub h ALA 226 Cb 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1dub h ALA 226 CO -0.01 0.50 -0.13 1.49 0.00 0.00 0.00 179.25 181.11 1dub h GLU 227 N 0.05 -0.34 -0.48 0.00 4.81 -0.20 0.31 114.58 118.73 1dub h GLU 227 Ca 0.00 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.35 1dub h GLU 227 Cb 0.70 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 30.06 1dub h GLU 227 CO 0.05 -0.04 -0.11 0.87 -0.73 0.00 0.00 179.01 179.05 1dub h LYS 228 N -0.65 0.01 -0.57 1.92 1.57 -1.28 0.68 116.57 118.24 1dub h LYS 228 Ca -0.04 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1dub h LYS 228 Cb 0.46 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1dub h LYS 228 CO 0.06 0.01 0.33 0.82 -0.57 0.00 0.00 179.45 180.10 1dub h ILE 229 N 0.01 1.18 -0.18 1.86 2.04 -1.28 -2.38 117.51 118.75 1dub h ILE 229 Ca 0.23 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1dub h ILE 229 Cb 0.36 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1dub h ILE 229 CO -0.49 0.19 0.03 0.00 0.00 0.00 0.00 178.15 177.88 1dub h ALA 230 N 1.16 1.71 -0.05 1.87 0.00 0.84 -2.12 119.26 122.67 1dub h ALA 230 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1dub h ALA 230 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1dub h ALA 230 CO -0.04 0.22 -0.06 -0.91 0.00 0.00 0.00 179.25 178.47 1dub h ASN 231 N 0.26 0.06 -4.35 0.00 2.35 -0.37 -3.43 115.58 110.09 1dub h ASN 231 Ca 0.06 -0.01 -0.47 0.00 -0.55 0.00 0.00 56.30 55.34 1dub h ASN 231 Cb 0.13 -0.01 0.11 0.00 0.05 0.00 0.00 38.32 38.60 1dub h ASN 231 CO -0.00 0.13 0.34 0.20 -1.65 0.00 0.00 177.43 176.45 1dub s ASN 232 N -7.00 4.17 0.27 5.81 0.01 -0.80 -4.78 114.94 112.63 1dub s ASN 232 Ca -0.05 1.04 -0.30 0.00 -0.71 0.00 0.00 52.86 52.84 1dub s ASN 232 Cb 0.16 -1.66 -0.10 0.00 0.41 0.00 0.00 41.25 40.06 1dub s ASN 232 CO 0.69 -2.14 1.46 -0.55 -1.51 0.00 0.00 177.10 175.05 1dub s SER 233 N -4.14 6.59 0.12 -1.22 0.15 -1.26 -4.92 113.70 109.02 1dub s SER 233 Ca 0.62 2.75 -0.14 0.00 0.70 0.00 0.00 55.95 59.87 1dub s SER 233 Cb -0.14 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.50 1dub s SER 233 CO 0.53 -0.74 1.51 0.11 1.20 0.00 0.00 173.24 175.84 1dub h LYS 234 N 4.77 0.72 -0.49 5.44 1.57 -1.88 0.34 116.57 127.05 1dub h LYS 234 Ca -0.47 -0.29 -0.11 0.00 -1.87 0.00 0.00 60.65 57.92 1dub h LYS 234 Cb 1.22 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1dub h LYS 234 CO 0.76 0.89 -0.11 0.97 -0.57 0.00 0.00 179.45 181.39 1dub h ILE 235 N 0.52 1.26 -0.15 1.86 2.10 -1.91 -0.86 117.51 120.32 1dub h ILE 235 Ca 0.09 -1.23 -0.14 0.00 1.08 0.00 0.00 64.86 64.65 1dub h ILE 235 Cb 0.63 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 1dub h ILE 235 CO 0.04 0.43 -0.46 0.40 -1.08 0.00 0.00 178.15 177.48 1dub h ILE 236 N 0.81 1.34 -0.92 2.19 1.08 -1.94 -2.24 117.51 117.84 1dub h ILE 236 Ca 0.13 -1.73 0.05 0.00 -0.39 0.00 0.00 64.86 62.92 1dub h ILE 236 Cb 0.64 2.01 -0.06 0.00 -3.07 0.00 0.00 36.82 36.35 1dub h ILE 236 CO 0.04 0.53 0.59 0.58 -0.69 0.00 0.00 178.15 179.20 1dub h VAL 237 N 0.23 1.11 -0.78 1.67 2.07 -0.77 -0.02 116.25 119.75 1dub h VAL 237 Ca -0.01 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1dub h VAL 237 Cb 1.08 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1dub h VAL 237 CO 0.10 0.20 0.31 0.00 0.02 0.00 0.00 177.57 178.20 1dub h ALA 238 N 1.40 1.07 -0.28 1.67 0.00 -1.02 -0.20 119.26 121.90 1dub h ALA 238 Ca 0.38 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1dub h ALA 238 Cb 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1dub h ALA 238 CO -0.15 0.66 -0.44 0.52 0.00 0.00 0.00 179.25 179.84 1dub h MET 239 N 1.13 0.70 -0.37 0.00 2.07 -0.70 -1.68 114.93 116.09 1dub h MET 239 Ca 0.26 -0.38 -0.06 0.00 -2.07 0.00 0.00 59.70 57.44 1dub h MET 239 Cb 0.22 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.96 1dub h MET 239 CO -0.02 1.00 -0.02 0.00 1.07 0.00 0.00 176.91 178.94 1dub h ALA 240 N 0.95 0.50 -0.78 6.32 0.00 -0.57 -1.26 119.26 124.41 1dub h ALA 240 Ca 0.04 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1dub h ALA 240 Cb 0.99 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1dub h ALA 240 CO 0.09 0.29 0.27 -0.22 0.00 0.00 0.00 179.25 179.68 1dub h LYS 241 N 0.47 1.19 -0.04 0.00 3.64 -0.96 -0.74 116.57 120.13 1dub h LYS 241 Ca 0.10 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 1dub h LYS 241 Cb 0.49 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1dub h LYS 241 CO 0.02 0.98 -0.28 1.49 -2.27 0.00 0.00 179.45 179.39 1dub h GLU 242 N 1.15 0.07 0.00 1.90 4.81 -1.10 -1.32 114.58 120.09 1dub h GLU 242 Ca 0.25 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1dub h GLU 242 Cb 0.27 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1dub h GLU 242 CO -0.01 0.35 -0.00 1.03 -0.73 0.00 0.00 179.01 179.64 1dub h SER 243 N 0.06 -0.01 -0.40 1.04 0.87 -0.51 -2.91 113.55 111.71 1dub h SER 243 Ca 0.01 -0.70 0.04 0.00 -1.23 0.00 0.00 61.79 59.90 1dub h SER 243 Cb 0.54 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 1dub h SER 243 CO 0.04 0.70 0.17 0.58 -0.53 0.00 0.00 176.83 177.79 1dub h VAL 244 N -0.72 0.93 -0.74 2.23 2.07 -1.07 -1.90 116.25 117.05 1dub h VAL 244 Ca -0.00 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.53 1dub h VAL 244 Cb 0.71 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1dub h VAL 244 CO 0.00 0.06 0.49 0.78 0.02 0.00 0.00 177.57 178.93 1dub h ASN 245 N 0.35 0.44 0.30 0.57 2.35 -1.29 -0.23 115.58 118.07 1dub h ASN 245 Ca 0.18 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1dub h ASN 245 Cb 0.12 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1dub h ASN 245 CO -0.15 0.24 0.00 0.00 -1.65 0.00 0.00 177.43 175.87 1dub n ALA 246 N -2.50 1.33 0.34 -0.83 0.00 -0.72 -1.63 120.51 116.51 1dub n ALA 246 Ca 0.14 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.71 1dub n ALA 246 Cb 0.47 -1.22 0.38 0.00 0.00 0.00 0.00 19.45 19.09 1dub n ALA 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dub n ALA 247 N -1.62 1.48 0.29 0.00 0.00 -0.10 -1.62 120.51 118.94 1dub n ALA 247 Ca 0.01 0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1dub n ALA 247 Cb 0.10 -1.28 0.10 0.00 0.00 0.00 0.00 19.45 18.38 1dub n ALA 247 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1dub n PHE 248 N -1.91 0.19 0.03 0.00 3.72 -0.64 -4.59 117.46 114.25 1dub n PHE 248 Ca 0.02 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1dub n PHE 248 Cb 0.15 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 1dub n PHE 248 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1dub n GLU 249 N 0.73 -0.55 -4.01 -1.08 -0.58 -0.64 -5.08 120.64 109.43 1dub n GLU 249 Ca 0.10 -0.63 -0.11 0.00 -0.42 0.00 0.00 57.16 56.09 1dub n GLU 249 Cb 0.38 -1.01 -0.04 0.00 -0.57 0.00 0.00 31.44 30.19 1dub n GLU 249 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1dub s MET 250 N -0.15 1.78 0.74 3.49 -1.94 -1.18 -5.09 119.30 116.95 1dub s MET 250 Ca 0.01 -1.48 -0.11 0.00 -1.71 0.00 0.00 55.69 52.40 1dub s MET 250 Cb 0.01 0.48 0.04 0.00 2.01 0.00 0.00 34.83 37.36 1dub s MET 250 CO 0.01 -0.75 1.08 0.95 -0.01 0.00 0.00 175.02 176.30 1dub s THR 251 N -3.41 3.50 0.27 2.05 -4.23 -1.26 -4.78 115.64 107.79 1dub s THR 251 Ca 0.25 0.49 -0.02 0.00 -1.18 0.00 0.00 61.69 61.23 1dub s THR 251 Cb -0.01 -3.30 0.27 0.00 1.34 0.00 0.00 72.50 70.80 1dub s THR 251 CO 0.14 -0.64 1.89 0.25 -0.54 0.00 0.00 174.62 175.72 1dub h LEU 252 N -0.86 1.02 -0.11 4.79 5.85 -1.97 -0.31 115.31 123.72 1dub h LEU 252 Ca -0.46 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.31 1dub h LEU 252 Cb 1.25 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 1dub h LEU 252 CO 0.60 0.66 -0.13 0.74 -0.34 0.00 0.00 178.44 179.96 1dub h THR 253 N 1.16 0.64 0.00 1.05 2.02 -1.99 -0.34 112.91 115.44 1dub h THR 253 Ca 0.42 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.47 1dub h THR 253 Cb 0.15 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1dub h THR 253 CO -0.16 0.00 -0.62 -0.33 0.37 0.00 0.00 175.52 174.78 1dub h GLU 254 N -0.17 0.00 -0.31 6.66 4.39 -1.77 -2.31 114.58 121.07 1dub h GLU 254 Ca 0.08 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 1dub h GLU 254 Cb 0.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1dub h GLU 254 CO -0.21 0.62 -0.05 0.78 -1.16 0.00 0.00 179.01 178.99 1dub h GLY 255 N 2.12 0.63 1.17 -3.84 0.00 -0.70 -0.58 103.07 101.88 1dub h GLY 255 Ca -0.01 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1dub h GLY 255 CO 0.08 0.46 0.38 3.43 0.00 0.00 0.00 176.54 180.89 1dub h ASN 256 N 0.36 0.97 -0.45 0.19 2.35 -1.01 0.14 115.58 118.13 1dub h ASN 256 Ca 0.08 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.60 1dub h ASN 256 Cb 0.52 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1dub h ASN 256 CO 0.03 0.80 -0.24 0.11 -1.65 0.00 0.00 177.43 176.48 1dub h LYS 257 N 1.07 0.95 -0.39 0.81 1.57 -1.12 -1.11 116.57 118.35 1dub h LYS 257 Ca 0.26 -0.42 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 1dub h LYS 257 Cb 0.08 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1dub h LYS 257 CO -0.04 1.09 0.03 1.25 -0.57 0.00 0.00 179.45 181.21 1dub h LEU 258 N 0.79 0.66 -0.77 2.94 5.85 -0.63 -1.72 115.31 122.42 1dub h LEU 258 Ca 0.10 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.60 1dub h LEU 258 Cb 0.82 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 1dub h LEU 258 CO 0.07 0.78 0.45 -0.08 -0.34 0.00 0.00 178.44 179.32 1dub h GLU 259 N 0.51 0.79 -0.65 1.25 4.81 -0.56 -0.73 114.58 120.00 1dub h GLU 259 Ca 0.12 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1dub h GLU 259 Cb 0.42 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1dub h GLU 259 CO 0.01 0.52 0.20 -0.22 -0.73 0.00 0.00 179.01 178.80 1dub h LYS 260 N 0.81 1.02 -0.33 1.92 1.63 -0.96 0.80 116.57 121.46 1dub h LYS 260 Ca 0.35 -0.22 -0.07 0.00 -0.85 0.00 0.00 60.65 59.86 1dub h LYS 260 Cb 0.22 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 1dub h LYS 260 CO -0.19 0.89 -0.09 0.87 -3.45 0.00 0.00 179.45 177.48 1dub h LYS 261 N 0.95 0.54 -0.15 1.90 1.57 -0.29 0.22 116.57 121.31 1dub h LYS 261 Ca 0.21 -0.15 -0.22 0.00 -1.87 0.00 0.00 60.65 58.62 1dub h LYS 261 Cb 0.30 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.55 1dub h LYS 261 CO -0.01 0.63 -0.77 -0.07 -0.57 0.00 0.00 179.45 178.66 1dub h LEU 262 N 0.51 0.92 -0.38 2.94 3.38 -0.76 -2.04 115.31 119.88 1dub h LEU 262 Ca 0.10 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.49 1dub h LEU 262 Cb 0.46 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1dub h LEU 262 CO 0.02 1.40 0.21 0.15 0.09 0.00 0.00 178.44 180.31 1dub h PHE 263 N 0.53 0.39 -0.73 1.13 3.57 -0.16 -0.84 116.94 120.82 1dub h PHE 263 Ca -0.05 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1dub h PHE 263 Cb 1.40 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 1dub h PHE 263 CO 0.08 0.22 0.38 1.88 -2.23 0.00 0.00 178.31 178.65 1dub h TYR 264 N 0.43 1.01 -0.17 0.41 0.05 -0.49 -2.24 116.97 115.96 1dub h TYR 264 Ca 0.15 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 1dub h TYR 264 Cb 0.03 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.44 1dub h TYR 264 CO -0.08 0.71 0.03 0.77 -1.05 0.00 0.00 178.16 178.54 1dub h SER 265 N 1.02 0.21 0.03 3.88 0.02 -0.44 -1.74 113.55 116.53 1dub h SER 265 Ca 0.26 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1dub h SER 265 Cb 0.05 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1dub h SER 265 CO -0.04 0.23 -0.02 0.71 -1.14 0.00 0.00 176.83 176.57 1dub h THR 266 N 0.24 0.85 0.00 -2.27 1.35 -0.64 0.11 112.91 112.54 1dub h THR 266 Ca 0.06 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1dub h THR 266 Cb 0.11 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1dub h THR 266 CO -0.00 0.02 0.00 0.49 -0.25 0.00 0.00 175.52 175.78 1dub n PHE 267 N -4.28 0.00 1.34 4.73 3.01 -0.65 -1.03 117.46 120.58 1dub n PHE 267 Ca -0.03 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.56 1dub n PHE 267 Cb 0.10 -0.41 0.41 0.00 -0.01 0.00 0.00 39.48 39.57 1dub n PHE 267 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1dub n ALA 268 N -1.41 2.54 -2.61 4.37 0.00 0.37 -4.91 120.51 118.86 1dub n ALA 268 Ca 0.05 -0.52 -0.22 0.00 0.00 0.00 0.00 53.44 52.75 1dub n ALA 268 Cb 0.15 -1.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 1dub n ALA 268 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1dub s THR 269 N -1.98 3.70 0.11 0.00 -4.23 -0.19 -5.03 115.64 108.02 1dub s THR 269 Ca 0.35 -1.48 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 1dub s THR 269 Cb 0.21 -3.18 -0.22 0.00 1.34 0.00 0.00 72.50 70.64 1dub s THR 269 CO 0.32 -0.24 1.25 0.44 -0.54 0.00 0.00 174.62 175.85 1dub h ASP 270 N 1.42 0.26 -0.28 3.99 3.32 -1.77 -3.28 116.42 120.09 1dub h ASP 270 Ca -0.46 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.32 1dub h ASP 270 Cb 1.25 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1dub h ASP 270 CO 0.60 1.16 0.13 0.44 -1.72 0.00 0.00 179.24 179.85 1dub h ASP 271 N 0.07 0.42 -0.18 6.45 3.32 -1.51 0.23 116.42 125.22 1dub h ASP 271 Ca -0.07 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 1dub h ASP 271 Cb 1.78 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 41.22 1dub h ASP 271 CO 0.16 0.38 -0.04 -0.09 -1.72 0.00 0.00 179.24 177.94 1dub h ARG 272 N 0.47 0.34 -0.16 3.56 1.12 -1.77 0.32 114.38 118.26 1dub h ARG 272 Ca 0.12 -0.13 0.04 0.00 -1.11 0.00 0.00 59.98 58.90 1dub h ARG 272 Cb 0.09 -0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 29.99 1dub h ARG 272 CO -0.01 0.60 -0.12 -0.09 -3.11 0.00 0.00 179.97 177.24 1dub h ARG 273 N 0.06 -0.12 -0.71 0.20 9.65 -1.33 -0.79 114.38 121.34 1dub h ARG 273 Ca 0.05 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1dub h ARG 273 Cb 0.47 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.04 1dub h ARG 273 CO 0.02 -0.08 0.41 1.49 2.80 0.00 0.00 179.97 184.60 1dub h GLU 274 N -0.12 0.98 -0.10 0.20 4.57 -0.34 -0.70 114.58 119.06 1dub h GLU 274 Ca 0.10 -0.10 -0.17 0.00 -1.18 0.00 0.00 59.36 58.01 1dub h GLU 274 Cb 0.27 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1dub h GLU 274 CO -0.24 0.72 -0.65 0.78 -1.18 0.00 0.00 179.01 178.44 1dub h GLY 275 N 0.97 0.45 0.85 1.92 0.00 -0.02 -1.92 103.07 105.33 1dub h GLY 275 Ca 0.25 -0.58 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 1dub h GLY 275 CO -0.04 0.52 -0.55 -0.33 0.00 0.00 0.00 176.54 176.14 1dub h MET 276 N 0.29 0.49 -0.77 4.80 2.86 -0.93 -2.79 114.93 118.88 1dub h MET 276 Ca -0.01 -0.44 -0.05 0.00 -2.06 0.00 0.00 59.70 57.13 1dub h MET 276 Cb 1.20 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.93 1dub h MET 276 CO 0.11 1.07 0.27 1.03 1.06 0.00 0.00 176.91 180.45 1dub h SER 277 N 0.05 1.10 0.23 1.22 0.87 -1.19 -1.83 113.55 114.01 1dub h SER 277 Ca -0.05 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.25 1dub h SER 277 Cb 1.21 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 1dub h SER 277 CO 0.11 1.00 -0.27 0.00 -0.53 0.00 0.00 176.83 177.14 1dub h ALA 278 N 1.14 1.47 -0.04 6.23 0.00 -1.38 0.72 119.26 127.40 1dub h ALA 278 Ca 0.25 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1dub h ALA 278 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1dub h ALA 278 CO -0.01 0.39 -0.08 0.35 0.00 0.00 0.00 179.25 179.90 1dub h PHE 279 N 0.07 0.15 0.09 0.00 3.57 -1.15 0.24 116.94 119.90 1dub h PHE 279 Ca 0.01 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1dub h PHE 279 Cb 0.53 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1dub h PHE 279 CO 0.00 0.67 -0.04 0.28 -2.23 0.00 0.00 178.31 176.99 1dub h VAL 280 N -0.40 0.99 0.00 1.41 2.07 -1.10 -2.26 116.25 116.96 1dub h VAL 280 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1dub h VAL 280 Cb 0.66 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1dub h VAL 280 CO 0.02 0.07 0.00 -0.62 0.02 0.00 0.00 177.57 177.05 1dub n GLU 281 N -5.08 0.70 -4.29 1.57 1.02 0.25 -4.86 120.64 109.94 1dub n GLU 281 Ca -0.08 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.71 1dub n GLU 281 Cb 0.12 -1.16 -0.06 0.00 -0.02 0.00 0.00 31.44 30.32 1dub n GLU 281 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1dub n LYS 282 N -0.66 -1.94 -4.56 3.49 4.76 -0.03 -4.94 118.16 114.28 1dub n LYS 282 Ca 0.05 0.24 -0.27 0.00 -2.87 0.00 0.00 58.31 55.47 1dub n LYS 282 Cb 0.02 -4.49 -0.08 0.00 -1.84 0.00 0.00 35.03 28.64 1dub n LYS 282 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1dub s ARG 283 N -7.07 1.97 0.07 1.97 1.70 0.63 -5.02 118.95 113.20 1dub s ARG 283 Ca 0.44 -2.21 -0.25 0.00 -0.47 0.00 0.00 55.73 53.23 1dub s ARG 283 Cb -0.25 -0.78 -0.06 0.00 -0.57 0.00 0.00 34.95 33.29 1dub s ARG 283 CO 0.97 -0.45 0.78 0.21 -1.08 0.00 0.00 175.30 175.73 1dub s LYS 284 N -3.74 4.52 0.23 3.89 2.20 -1.26 -4.43 119.74 121.14 1dub s LYS 284 Ca 0.21 1.10 -0.30 0.00 -0.36 0.00 0.00 55.97 56.63 1dub s LYS 284 Cb 0.03 -3.35 -0.09 0.00 -1.51 0.00 0.00 37.83 32.91 1dub s LYS 284 CO 0.13 0.33 0.96 0.00 -0.36 0.00 0.00 175.35 176.41 1dub s ALA 285 N -0.23 3.34 -0.67 3.13 0.00 -1.26 -4.96 121.76 121.10 1dub s ALA 285 Ca 0.39 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 1dub s ALA 285 Cb -0.21 -3.23 0.17 0.00 0.00 0.00 0.00 23.12 19.84 1dub s ALA 285 CO 0.24 0.13 0.48 1.21 0.00 0.00 0.00 175.76 177.82 1dub s ASN 286 N -0.98 5.19 0.36 0.00 3.84 -1.26 -5.07 114.94 117.02 1dub s ASN 286 Ca 0.42 -3.15 -0.26 0.00 0.21 0.00 0.00 52.86 50.08 1dub s ASN 286 Cb -0.26 -1.81 -0.09 0.00 -0.55 0.00 0.00 41.25 38.54 1dub s ASN 286 CO 0.33 -0.28 1.08 -0.36 -2.79 0.00 0.00 177.10 175.08 1dub s PHE 287 N -0.49 3.34 -0.09 0.43 0.08 -1.26 -4.96 117.98 115.02 1dub s PHE 287 Ca 0.20 1.65 0.13 0.00 0.12 0.00 0.00 56.93 59.02 1dub s PHE 287 Cb -0.17 -3.21 0.19 0.00 -0.57 0.00 0.00 43.02 39.26 1dub s PHE 287 CO -0.06 -0.70 1.09 1.63 -0.10 0.00 0.00 175.22 177.08 1dub n LYS 288 N 0.34 1.43 -4.02 0.44 5.02 -1.26 -4.99 118.16 115.12 1dub n LYS 288 Ca 0.03 -2.14 -0.29 0.00 -2.02 0.00 0.00 58.31 53.89 1dub n LYS 288 Cb 0.48 -1.26 -0.01 0.00 -0.02 0.00 0.00 35.03 34.21 1dub n LYS 288 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1dub n ASP 289 N -1.06 -2.02 0.00 4.39 8.00 -1.26 -5.02 116.55 119.58 1dub n ASP 289 Ca 0.11 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1dub n ASP 289 Cb 0.57 -3.16 0.00 0.00 -0.02 0.00 0.00 41.12 38.51 1dub n ASP 289 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38