#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dub s PHE 33 N 0.00 3.60 -0.11 3.10 0.08 -1.26 -5.02 117.98 118.36 2dub s PHE 33 Ca 0.00 0.54 -0.03 0.00 0.12 0.00 0.00 56.93 57.56 2dub s PHE 33 Cb 0.00 -1.96 -0.25 0.00 -0.57 0.00 0.00 43.02 40.24 2dub s PHE 33 CO 0.00 0.69 0.39 1.04 -0.10 0.00 0.00 175.22 177.25 2dub n GLN 34 N 1.62 0.73 -0.00 0.44 1.13 -1.26 -4.64 117.38 115.40 2dub n GLN 34 Ca -0.16 0.26 0.05 0.00 -1.94 0.00 0.00 57.00 55.20 2dub n GLN 34 Cb 0.54 -1.71 -0.06 0.00 0.11 0.00 0.00 30.24 29.12 2dub n GLN 34 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2dub n TYR 35 N -3.39 0.00 -4.26 1.08 4.01 -1.26 -4.92 117.16 108.42 2dub n TYR 35 Ca -0.30 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.27 2dub n TYR 35 Cb 1.05 -0.02 -0.11 0.00 -0.31 0.00 0.00 39.34 39.95 2dub n TYR 35 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2dub s ILE 36 N -1.97 1.35 -0.18 -0.72 -4.36 -1.26 0.29 121.20 114.35 2dub s ILE 36 Ca 0.03 -1.86 0.01 0.00 -0.26 0.00 0.00 60.65 58.57 2dub s ILE 36 Cb 0.07 -1.67 0.02 0.00 1.25 0.00 0.00 42.46 42.14 2dub s ILE 36 CO 0.40 -0.51 -0.18 -0.63 0.24 0.00 0.00 174.94 174.26 2dub s ILE 37 N -2.51 1.94 0.28 8.37 1.01 0.10 -4.72 121.20 125.67 2dub s ILE 37 Ca 0.12 -0.91 0.09 0.00 0.00 0.00 0.00 60.65 59.95 2dub s ILE 37 Cb -0.03 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 2dub s ILE 37 CO 0.03 0.47 0.01 0.42 0.00 0.00 0.00 174.94 175.88 2dub s THR 38 N 1.33 3.32 0.00 2.92 -4.23 -1.26 -0.35 115.64 117.38 2dub s THR 38 Ca 0.04 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2dub s THR 38 Cb -0.13 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.85 2dub s THR 38 CO -0.12 -0.34 0.00 -1.84 -0.54 0.00 0.00 174.62 171.78 2dub n GLU 39 N -0.93 0.00 -2.85 3.99 0.28 -0.78 -5.02 120.64 115.34 2dub n GLU 39 Ca -0.06 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.53 2dub n GLU 39 Cb 0.60 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.42 2dub n GLU 39 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2dub s LYS 40 N -1.71 4.56 0.37 3.44 3.01 -1.26 -1.27 119.74 126.88 2dub s LYS 40 Ca 0.00 1.24 0.05 0.00 -1.01 0.00 0.00 55.97 56.25 2dub s LYS 40 Cb 0.00 -3.41 -0.03 0.00 -1.01 0.00 0.00 37.83 33.38 2dub s LYS 40 CO 0.00 0.12 0.20 0.15 0.51 0.00 0.00 175.35 176.33 2dub s LYS 41 N 0.44 1.85 0.17 1.68 -0.14 0.52 -4.91 119.74 119.36 2dub s LYS 41 Ca 0.45 -2.11 0.00 0.00 -1.36 0.00 0.00 55.97 52.95 2dub s LYS 41 Cb -0.21 -0.17 0.00 0.00 -1.68 0.00 0.00 37.83 35.77 2dub s LYS 41 CO 0.25 -0.56 0.00 0.41 -0.76 0.00 0.00 175.35 174.69 2dub n GLY 42 N -0.78 -2.40 3.58 -3.33 0.00 -1.26 -1.50 105.19 99.49 2dub n GLY 42 Ca 0.00 -1.35 -0.48 0.00 0.00 0.00 0.00 46.02 44.18 2dub n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dub n LYS 43 N -2.99 1.21 -1.53 1.61 4.81 -1.26 0.17 118.16 120.18 2dub n LYS 43 Ca -0.02 0.43 -0.16 0.00 -0.87 0.00 0.00 58.31 57.69 2dub n LYS 43 Cb 0.22 -1.93 -0.07 0.00 0.02 0.00 0.00 35.03 33.27 2dub n LYS 43 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2dub n ASN 44 N 2.00 -4.35 -3.87 3.14 3.02 -1.26 -2.15 115.26 111.79 2dub n ASN 44 Ca 0.15 0.39 -0.25 0.00 -0.03 0.00 0.00 54.58 54.84 2dub n ASN 44 Cb 0.25 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.49 2dub n ASN 44 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2dub n SER 45 N -0.92 -1.01 0.03 6.41 7.64 0.13 -4.86 113.62 121.03 2dub n SER 45 Ca -0.17 -0.92 0.12 0.00 1.01 0.00 0.00 58.87 58.91 2dub n SER 45 Cb 0.55 -3.47 0.17 0.00 -1.01 0.00 0.00 64.21 60.44 2dub n SER 45 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dub n SER 46 N -2.99 0.61 -4.63 6.43 3.41 -0.92 -4.49 113.62 111.05 2dub n SER 46 Ca -0.27 -0.08 -0.36 0.00 -0.26 0.00 0.00 58.87 57.90 2dub n SER 46 Cb 0.67 0.32 -0.10 0.00 -0.26 0.00 0.00 64.21 64.84 2dub n SER 46 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2dub s VAL 47 N -3.11 5.10 -0.37 -3.33 1.01 -0.56 -0.07 120.40 119.05 2dub s VAL 47 Ca 0.07 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 2dub s VAL 47 Cb 0.15 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2dub s VAL 47 CO 0.73 0.37 0.49 -0.83 0.00 0.00 0.00 175.10 175.86 2dub s GLY 48 N 0.98 1.83 -0.24 4.51 0.00 -0.34 -0.35 107.32 113.71 2dub s GLY 48 Ca 0.06 -1.17 -0.11 0.00 0.00 0.00 0.00 44.72 43.51 2dub s GLY 48 CO 0.04 1.24 0.18 -2.27 0.00 0.00 0.00 173.10 172.29 2dub s LEU 49 N 2.34 4.11 -0.14 0.66 2.96 -0.40 -0.39 118.68 127.82 2dub s LEU 49 Ca 0.17 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 2dub s LEU 49 Cb -0.16 -2.14 -0.00 0.00 0.50 0.00 0.00 46.19 44.39 2dub s LEU 49 CO 0.14 0.04 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.40 2dub s ILE 50 N 1.16 2.53 -0.14 6.68 1.01 -0.06 -1.87 121.20 130.51 2dub s ILE 50 Ca 0.08 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.91 2dub s ILE 50 Cb -0.14 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.31 2dub s ILE 50 CO 0.05 0.53 -0.16 -1.58 0.00 0.00 0.00 174.94 173.79 2dub s GLN 51 N 0.64 2.43 0.19 2.79 0.74 0.53 -1.19 119.66 125.79 2dub s GLN 51 Ca -0.09 -0.62 -0.31 0.00 0.05 0.00 0.00 55.36 54.39 2dub s GLN 51 Cb -0.16 -2.14 -0.09 0.00 1.10 0.00 0.00 33.01 31.71 2dub s GLN 51 CO 0.02 -0.17 1.45 -0.51 -0.55 0.00 0.00 175.29 175.53 2dub s LEU 52 N 1.28 4.38 -0.49 3.68 1.43 0.05 0.00 118.68 129.02 2dub s LEU 52 Ca 0.01 2.55 0.08 0.00 -1.03 0.00 0.00 54.13 55.74 2dub s LEU 52 Cb -0.14 -3.61 0.29 0.00 0.03 0.00 0.00 46.19 42.77 2dub s LEU 52 CO -0.08 -0.71 0.71 -3.20 0.23 0.00 0.00 176.35 173.30 2dub n ASN 53 N 3.18 2.12 -3.01 2.29 5.15 0.83 -4.36 115.26 121.47 2dub n ASN 53 Ca 0.10 -3.15 -0.18 0.00 -0.60 0.00 0.00 54.58 50.74 2dub n ASN 53 Cb 0.40 -0.63 -0.02 0.00 -0.53 0.00 0.00 39.78 39.01 2dub n ASN 53 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2dub n ARG 54 N 0.72 1.55 -0.31 1.20 0.63 -1.25 -4.51 116.66 114.70 2dub n ARG 54 Ca 0.26 -3.68 0.20 0.00 -0.92 0.00 0.00 57.85 53.70 2dub n ARG 54 Cb 0.50 -1.75 0.47 0.00 0.45 0.00 0.00 32.46 32.13 2dub n ARG 54 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 2dub h PRO 55 N 2.97 0.46 -0.90 -0.14 0.13 -1.93 0.44 132.00 133.03 2dub h PRO 55 Ca 0.08 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2dub h PRO 55 Cb 0.92 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.91 2dub h PRO 55 CO 0.58 0.31 0.57 0.87 -0.23 0.00 0.00 178.00 180.09 2dub h LYS 56 N 0.47 1.21 -0.57 0.86 1.57 -2.03 -2.21 116.57 115.87 2dub h LYS 56 Ca 0.55 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 59.22 2dub h LYS 56 Cb 1.28 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2dub h LYS 56 CO -0.28 0.82 0.03 0.00 -0.57 0.00 0.00 179.45 179.45 2dub n ALA 57 N -2.37 3.90 -4.13 3.86 0.00 -0.67 -4.92 120.51 116.18 2dub n ALA 57 Ca 0.10 -2.00 -0.34 0.00 0.00 0.00 0.00 53.44 51.19 2dub n ALA 57 Cb 0.04 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 2dub n ALA 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dub n LEU 58 N 0.46 -1.95 -1.65 0.00 4.77 -0.83 -0.46 117.00 117.35 2dub n LEU 58 Ca 0.29 -0.95 -0.16 0.00 -0.03 0.00 0.00 56.01 55.15 2dub n LEU 58 Cb 1.20 -2.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.05 2dub n LEU 58 CO 0.33 0.34 -0.19 0.59 -1.33 0.00 0.00 177.39 177.13 2dub n ASN 59 N -2.71 -4.92 -4.65 -1.43 5.03 0.06 -1.74 115.26 104.88 2dub n ASN 59 Ca 0.05 0.14 -0.50 0.00 0.87 0.00 0.00 54.58 55.15 2dub n ASN 59 Cb 0.51 -3.97 -0.05 0.00 -1.02 0.00 0.00 39.78 35.24 2dub n ASN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2dub n ALA 60 N -0.63 0.30 -2.11 5.41 0.00 0.40 -4.33 120.51 119.55 2dub n ALA 60 Ca -0.18 0.43 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 2dub n ALA 60 Cb 0.61 -2.27 -0.05 0.00 0.00 0.00 0.00 19.45 17.74 2dub n ALA 60 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dub n LEU 61 N 4.03 3.65 -4.84 0.00 4.77 0.15 -4.76 117.00 120.00 2dub n LEU 61 Ca 0.20 -3.35 -0.30 0.00 -0.03 0.00 0.00 56.01 52.52 2dub n LEU 61 Cb 0.23 -1.70 0.05 0.00 -2.33 0.00 0.00 43.42 39.68 2dub n LEU 61 CO 0.67 -1.22 0.72 0.00 -1.33 0.00 0.00 177.39 176.24 2dub h ASN 63 N -0.75 0.50 -0.32 0.00 -1.24 -1.97 -1.71 115.58 110.09 2dub h ASN 63 Ca -0.45 0.03 -0.07 0.00 0.71 0.00 0.00 56.30 56.52 2dub h ASN 63 Cb 1.23 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 40.21 2dub h ASN 63 CO 0.60 0.25 -0.09 1.23 -1.29 0.00 0.00 177.43 178.13 2dub h GLY 64 N 0.52 0.68 1.04 1.57 0.00 -1.99 -2.02 103.07 102.87 2dub h GLY 64 Ca 0.41 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 2dub h GLY 64 CO -0.16 0.52 0.38 -2.00 0.00 0.00 0.00 176.54 175.28 2dub h LEU 65 N 0.40 1.09 -0.69 3.11 5.85 -1.77 -2.13 115.31 121.16 2dub h LEU 65 Ca 0.08 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2dub h LEU 65 Cb 0.59 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2dub h LEU 65 CO 0.03 0.93 0.36 0.40 -0.34 0.00 0.00 178.44 179.83 2dub h ILE 66 N 1.17 1.22 -0.82 4.05 1.08 -1.19 0.15 117.51 123.17 2dub h ILE 66 Ca 0.28 -0.58 -0.03 0.00 -0.39 0.00 0.00 64.86 64.14 2dub h ILE 66 Cb 0.15 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 34.19 2dub h ILE 66 CO -0.03 0.25 0.39 -0.08 -0.69 0.00 0.00 178.15 177.99 2dub h GLU 67 N 0.96 1.19 -0.25 2.37 4.81 -0.93 -0.93 114.58 121.80 2dub h GLU 67 Ca 0.24 -0.18 -0.17 0.00 -0.13 0.00 0.00 59.36 59.12 2dub h GLU 67 Cb 0.07 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2dub h GLU 67 CO -0.04 0.92 -0.52 0.93 -0.73 0.00 0.00 179.01 179.58 2dub h GLU 68 N 1.17 0.79 -0.49 1.92 5.08 -1.07 -2.22 114.58 119.75 2dub h GLU 68 Ca 0.28 -0.52 0.04 0.00 -1.00 0.00 0.00 59.36 58.17 2dub h GLU 68 Cb 0.13 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2dub h GLU 68 CO -0.03 1.14 0.25 1.25 -1.00 0.00 0.00 179.01 180.62 2dub h LEU 69 N 0.53 0.36 -1.19 1.33 5.85 -0.70 0.13 115.31 121.62 2dub h LEU 69 Ca 0.01 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2dub h LEU 69 Cb 1.13 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 2dub h LEU 69 CO 0.11 0.25 0.16 0.78 -0.34 0.00 0.00 178.44 179.41 2dub h ASN 70 N 0.49 0.66 0.20 1.25 2.35 -1.13 -0.52 115.58 118.88 2dub h ASN 70 Ca 0.21 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2dub h ASN 70 Cb 0.12 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2dub h ASN 70 CO -0.15 0.63 -0.10 1.56 -1.65 0.00 0.00 177.43 177.72 2dub h GLN 71 N 0.71 -0.26 -0.87 0.81 4.20 -0.55 -1.17 115.11 117.99 2dub h GLN 71 Ca 0.17 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.99 2dub h GLN 71 Cb 0.20 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.97 2dub h GLN 71 CO -0.01 0.01 0.52 0.00 -0.67 0.00 0.00 178.83 178.68 2dub h ALA 72 N 0.22 1.25 0.09 3.87 0.00 -0.53 0.69 119.26 124.86 2dub h ALA 72 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dub h ALA 72 Cb 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2dub h ALA 72 CO 0.05 0.16 -0.04 -0.07 0.00 0.00 0.00 179.25 179.35 2dub h LEU 73 N 0.87 -0.10 -0.94 0.00 3.38 -0.98 -0.50 115.31 117.04 2dub h LEU 73 Ca 0.41 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.33 2dub h LEU 73 Cb 0.35 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 2dub h LEU 73 CO -0.24 0.04 0.61 -0.33 0.09 0.00 0.00 178.44 178.61 2dub h GLU 74 N -0.24 1.11 0.26 1.13 4.39 -0.60 0.19 114.58 120.82 2dub h GLU 74 Ca -0.01 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2dub h GLU 74 Cb 0.20 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2dub h GLU 74 CO 0.02 0.74 -0.12 1.15 -1.16 0.00 0.00 179.01 179.63 2dub h THR 75 N 1.15 0.80 -0.19 1.13 2.02 -0.66 -1.52 112.91 115.62 2dub h THR 75 Ca 0.39 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 2dub h THR 75 Cb 0.07 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2dub h THR 75 CO -0.14 0.08 0.02 -0.26 0.37 0.00 0.00 175.52 175.59 2dub h PHE 76 N -0.54 0.27 -0.63 3.16 0.04 -0.80 -1.20 116.94 117.24 2dub h PHE 76 Ca -0.04 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.64 2dub h PHE 76 Cb 0.40 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 2dub h PHE 76 CO -0.01 0.27 0.06 1.49 -0.60 0.00 0.00 178.31 179.52 2dub h GLU 77 N 0.27 1.06 -0.00 1.51 4.57 -0.36 -2.85 114.58 118.78 2dub h GLU 77 Ca 0.07 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2dub h GLU 77 Cb 0.15 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2dub h GLU 77 CO 0.00 1.00 -0.20 0.39 -1.18 0.00 0.00 179.01 179.01 2dub n GLU 78 N -4.20 0.15 -2.64 1.92 1.02 -0.60 -4.74 120.64 111.55 2dub n GLU 78 Ca 0.04 -0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 2dub n GLU 78 Cb 0.31 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 2dub n GLU 78 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2dub s ASP 79 N -2.89 6.37 0.66 1.62 -1.08 -0.52 -4.89 116.67 115.95 2dub s ASP 79 Ca 0.16 -0.11 0.34 0.00 -0.52 0.00 0.00 52.55 52.42 2dub s ASP 79 Cb 0.19 -2.53 1.84 0.00 -1.46 0.00 0.00 42.92 40.96 2dub s ASP 79 CO 0.58 -1.48 2.05 -0.65 0.52 0.00 0.00 175.17 176.18 2dub h PRO 80 N 9.57 0.00 0.00 4.34 0.11 -1.86 0.17 132.00 144.33 2dub h PRO 80 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2dub h PRO 80 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2dub h PRO 80 CO 1.18 0.00 -0.26 0.00 -0.21 0.00 0.00 178.00 178.71 2dub n ALA 81 N -1.97 2.65 -2.68 -0.75 0.00 -1.26 -4.80 120.51 111.70 2dub n ALA 81 Ca -0.02 -0.15 -0.38 0.00 0.00 0.00 0.00 53.44 52.90 2dub n ALA 81 Cb 0.30 -1.33 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 2dub n ALA 81 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2dub s VAL 82 N -3.09 5.24 -0.05 0.00 1.01 0.04 -3.93 120.40 119.63 2dub s VAL 82 Ca 0.10 0.59 0.14 0.00 0.00 0.00 0.00 61.98 62.81 2dub s VAL 82 Cb 0.15 -3.67 -0.21 0.00 0.00 0.00 0.00 36.38 32.64 2dub s VAL 82 CO 0.64 0.29 0.25 0.61 0.00 0.00 0.00 175.10 176.88 2dub n GLY 83 N 3.92 -0.66 3.35 4.51 0.00 0.90 -4.90 105.19 112.31 2dub n GLY 83 Ca -0.10 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 2dub n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dub s ALA 84 N -2.83 -1.17 -0.02 4.61 0.00 -1.21 -4.22 121.76 116.92 2dub s ALA 84 Ca -0.06 0.86 0.03 0.00 0.00 0.00 0.00 51.96 52.80 2dub s ALA 84 Cb 0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 2dub s ALA 84 CO 0.59 -0.28 -0.10 0.42 0.00 0.00 0.00 175.76 176.39 2dub s ILE 85 N -0.91 3.44 -0.17 0.00 1.01 0.08 -1.19 121.20 123.45 2dub s ILE 85 Ca -0.10 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2dub s ILE 85 Cb -0.03 -2.44 0.01 0.00 0.01 0.00 0.00 42.46 40.00 2dub s ILE 85 CO 0.05 0.47 -0.17 -0.69 0.00 0.00 0.00 174.94 174.60 2dub s VAL 86 N -0.90 2.41 -0.16 2.92 1.01 0.48 -0.05 120.40 126.11 2dub s VAL 86 Ca 0.15 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 2dub s VAL 86 Cb -0.11 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2dub s VAL 86 CO 0.05 0.52 -0.03 -0.22 0.00 0.00 0.00 175.10 175.41 2dub s LEU 87 N 1.07 3.27 0.28 3.92 2.96 0.11 -0.89 118.68 129.41 2dub s LEU 87 Ca -0.01 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 2dub s LEU 87 Cb -0.14 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 2dub s LEU 87 CO -0.05 0.16 0.41 0.28 -1.32 0.00 0.00 176.35 175.83 2dub s THR 88 N 0.41 0.00 0.00 3.68 -1.32 -0.34 -0.50 115.64 117.58 2dub s THR 88 Ca -0.03 -1.60 0.00 0.00 -1.21 0.00 0.00 61.69 58.85 2dub s THR 88 Cb -0.14 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.41 2dub s THR 88 CO 0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 2dub n GLY 89 N -0.44 3.87 2.35 6.08 0.00 -1.26 -0.77 105.19 115.03 2dub n GLY 89 Ca 0.00 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 2dub n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dub n GLY 90 N 3.19 0.68 0.12 -0.02 0.00 0.40 -4.70 105.19 104.87 2dub n GLY 90 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2dub n GLY 90 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2dub h GLU 91 N 0.00 0.00 0.00 1.61 4.81 -1.98 -3.28 114.58 115.74 2dub h GLU 91 Ca -0.20 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.85 2dub h GLU 91 Cb 0.74 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 2dub h GLU 91 CO 0.21 0.59 -1.42 1.17 -0.73 0.00 0.00 179.01 178.83 2dub n LYS 92 N -3.23 0.62 -3.65 1.92 4.81 -1.26 -3.44 118.16 113.93 2dub n LYS 92 Ca 0.01 0.23 -0.07 0.00 -0.87 0.00 0.00 58.31 57.61 2dub n LYS 92 Cb 0.79 -1.81 -0.07 0.00 0.02 0.00 0.00 35.03 33.95 2dub n LYS 92 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dub s ALA 93 N -2.90 -1.73 -0.05 3.14 0.00 -1.24 -2.05 121.76 116.93 2dub s ALA 93 Ca -0.03 2.23 -0.24 0.00 0.00 0.00 0.00 51.96 53.91 2dub s ALA 93 Cb 0.09 -1.39 -0.19 0.00 0.00 0.00 0.00 23.12 21.63 2dub s ALA 93 CO 0.81 -0.45 1.04 0.35 0.00 0.00 0.00 175.76 177.51 2dub h PHE 94 N 7.21 -0.09 -0.34 0.00 3.57 0.29 0.11 116.94 127.68 2dub h PHE 94 Ca -0.29 -0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.45 2dub h PHE 94 Cb 1.20 0.03 -0.24 0.00 2.79 0.00 0.00 35.95 39.73 2dub h PHE 94 CO 0.11 0.45 0.33 0.00 -2.23 0.00 0.00 178.31 176.96 2dub s ALA 95 N -3.75 -3.32 -1.67 2.41 0.00 -0.33 -4.33 121.76 110.76 2dub s ALA 95 Ca -0.15 1.66 0.22 0.00 0.00 0.00 0.00 51.96 53.69 2dub s ALA 95 Cb 0.00 -2.36 1.20 0.00 0.00 0.00 0.00 23.12 21.97 2dub s ALA 95 CO 0.59 -1.19 1.70 0.00 0.00 0.00 0.00 175.76 176.87 2dub n ALA 96 N 5.04 2.21 0.00 0.00 0.00 -0.71 -1.71 120.51 125.34 2dub n ALA 96 Ca -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2dub n ALA 96 Cb 0.54 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2dub n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dub n GLY 97 N 0.49 2.00 3.53 0.00 0.00 -1.00 -4.47 105.19 105.74 2dub n GLY 97 Ca 0.13 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 2dub n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dub s ALA 98 N -1.46 0.32 -0.46 4.61 0.00 -1.26 0.31 121.76 123.82 2dub s ALA 98 Ca 0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 2dub s ALA 98 Cb 0.00 -2.88 0.04 0.00 0.00 0.00 0.00 23.12 20.28 2dub s ALA 98 CO 0.00 -3.85 0.52 0.34 0.00 0.00 0.00 175.76 172.78 2dub s ASP 99 N -3.78 6.22 0.19 0.00 2.15 -1.23 -4.36 116.67 115.85 2dub s ASP 99 Ca 0.71 -0.78 -0.12 0.00 0.43 0.00 0.00 52.55 52.79 2dub s ASP 99 Cb -0.10 -2.25 0.11 0.00 -0.30 0.00 0.00 42.92 40.38 2dub s ASP 99 CO 0.56 -0.72 1.85 0.40 -0.17 0.00 0.00 175.17 177.09 2dub h ILE 100 N 5.80 1.17 -1.00 4.11 1.08 -1.96 -2.49 117.51 124.23 2dub h ILE 100 Ca -0.27 -0.33 0.14 0.00 -0.39 0.00 0.00 64.86 64.01 2dub h ILE 100 Cb 1.10 0.25 -0.09 0.00 -3.07 0.00 0.00 36.82 35.01 2dub h ILE 100 CO 0.87 0.17 0.62 0.11 -0.69 0.00 0.00 178.15 179.24 2dub h LYS 101 N 0.86 0.89 -0.06 2.37 6.56 -2.00 0.23 116.57 125.42 2dub h LYS 101 Ca 0.23 -0.05 -0.08 0.00 -1.06 0.00 0.00 60.65 59.69 2dub h LYS 101 Cb -0.08 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 31.37 2dub h LYS 101 CO -0.05 0.59 -0.33 0.93 -2.06 0.00 0.00 179.45 178.53 2dub h GLU 102 N 0.91 0.11 0.00 3.15 5.08 -1.86 -3.24 114.58 118.73 2dub h GLU 102 Ca 0.52 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 2dub h GLU 102 Cb 0.62 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2dub h GLU 102 CO -0.29 0.43 -1.18 0.00 -1.00 0.00 0.00 179.01 176.97 2dub n MET 103 N -4.12 1.14 -0.36 2.33 0.00 -0.70 -4.60 117.12 110.82 2dub n MET 103 Ca -0.02 -0.06 0.31 0.00 0.00 0.00 0.00 57.70 57.93 2dub n MET 103 Cb 0.39 -1.33 0.57 0.00 0.00 0.00 0.00 33.22 32.86 2dub n MET 103 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2dub h GLN 104 N 0.00 0.11 -0.16 3.17 4.15 -0.61 0.59 115.11 122.37 2dub h GLN 104 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2dub h GLN 104 Cb 0.55 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.21 2dub h GLN 104 CO 0.00 0.07 0.00 0.09 -1.93 0.00 0.00 178.83 177.06 2dub n ASN 105 N -5.06 3.11 -4.78 -0.69 3.02 -1.26 -4.98 115.26 104.62 2dub n ASN 105 Ca 0.36 -1.98 -0.33 0.00 -0.03 0.00 0.00 54.58 52.60 2dub n ASN 105 Cb 1.24 -0.09 0.02 0.00 -0.61 0.00 0.00 39.78 40.34 2dub n ASN 105 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2dub s ARG 106 N -1.82 3.12 0.49 3.52 1.81 0.20 -5.06 118.95 121.21 2dub s ARG 106 Ca 0.32 1.36 0.05 0.00 -1.72 0.00 0.00 55.73 55.74 2dub s ARG 106 Cb 0.21 -2.00 -0.01 0.00 -0.45 0.00 0.00 34.95 32.71 2dub s ARG 106 CO 0.31 -0.99 0.23 0.95 -0.68 0.00 0.00 175.30 175.12 2dub s THR 107 N -2.27 1.77 0.09 0.02 -4.23 -1.26 -4.99 115.64 104.76 2dub s THR 107 Ca 0.67 -1.68 -0.27 0.00 -1.18 0.00 0.00 61.69 59.23 2dub s THR 107 Cb -0.19 -2.45 -0.14 0.00 1.34 0.00 0.00 72.50 71.05 2dub s THR 107 CO 0.36 0.00 1.68 0.15 -0.54 0.00 0.00 174.62 176.28 2dub h PHE 108 N 1.13 -0.41 -0.98 3.99 3.57 -2.00 -2.09 116.94 120.16 2dub h PHE 108 Ca -0.41 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.25 2dub h PHE 108 Cb 1.29 0.15 -0.09 0.00 2.79 0.00 0.00 35.95 40.09 2dub h PHE 108 CO 0.99 -0.25 0.61 1.96 -2.23 0.00 0.00 178.31 179.39 2dub h GLN 109 N -0.39 0.76 0.23 1.11 7.50 -1.96 -0.76 115.11 121.60 2dub h GLN 109 Ca -0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.08 2dub h GLN 109 Cb 0.33 -0.17 -0.00 0.00 0.05 0.00 0.00 27.48 27.69 2dub h GLN 109 CO 0.01 0.50 -0.13 -0.44 -1.50 0.00 0.00 178.83 177.27 2dub h ASP 110 N 0.79 -0.33 -0.98 1.46 3.32 -1.78 -2.52 116.42 116.37 2dub h ASP 110 Ca 0.52 0.02 0.15 0.00 0.02 0.00 0.00 57.03 57.73 2dub h ASP 110 Cb 0.77 0.10 -0.09 0.00 0.22 0.00 0.00 39.33 40.33 2dub h ASP 110 CO -0.29 -0.22 0.60 0.00 -1.72 0.00 0.00 179.24 177.61 2dub n TYR 112 N -4.70 2.49 -1.77 0.00 4.19 -0.55 -5.12 117.16 111.69 2dub n TYR 112 Ca 0.20 -2.24 -0.01 0.00 3.31 0.00 0.00 57.90 59.15 2dub n TYR 112 Cb 0.43 -1.29 -0.01 0.00 0.49 0.00 0.00 39.34 38.96 2dub n TYR 112 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 2dub n SER 113 N 0.08 -0.19 -3.77 2.98 7.64 -0.45 -4.92 113.62 115.00 2dub n SER 113 Ca 0.52 -0.93 -0.28 0.00 1.01 0.00 0.00 58.87 59.19 2dub n SER 113 Cb 0.34 0.06 -0.12 0.00 -1.01 0.00 0.00 64.21 63.47 2dub n SER 113 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2dub s HIS 119 N 0.00 2.68 0.25 1.43 0.09 -1.26 -4.87 115.29 113.61 2dub s HIS 119 Ca 0.00 -2.91 -0.05 0.00 -0.00 0.00 0.00 55.06 52.09 2dub s HIS 119 Cb 0.00 -2.20 0.30 0.00 -0.00 0.00 0.00 32.58 30.67 2dub s HIS 119 CO 0.00 -0.68 1.91 -1.49 -0.00 0.00 0.00 174.74 174.48 2dub h TRP 120 N 5.92 1.22 -1.11 1.40 4.06 -2.01 -3.10 115.95 122.34 2dub h TRP 120 Ca 0.10 0.03 -0.68 0.00 2.06 0.00 0.00 58.89 60.40 2dub h TRP 120 Cb 0.84 -0.41 -0.30 0.00 -1.00 0.00 0.00 29.16 28.30 2dub h TRP 120 CO 0.54 0.73 0.78 -0.40 -3.56 0.00 0.00 178.44 176.52 2dub n ASP 121 N -4.43 7.48 0.09 -3.49 5.68 -1.26 -4.60 116.55 116.02 2dub n ASP 121 Ca 0.13 -3.79 -0.07 0.00 -0.50 0.00 0.00 54.79 50.55 2dub n ASP 121 Cb 0.06 -0.94 -0.03 0.00 -1.14 0.00 0.00 41.12 39.07 2dub n ASP 121 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2dub h HIS 122 N 2.14 0.13 -0.05 2.11 2.76 -1.98 -3.12 115.15 117.13 2dub h HIS 122 Ca 0.59 -0.08 0.01 0.00 -2.20 0.00 0.00 60.37 58.69 2dub h HIS 122 Cb 0.76 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.71 2dub h HIS 122 CO 1.36 0.93 0.21 0.97 -1.30 0.00 0.00 177.93 180.11 2dub h ILE 123 N 0.04 0.10 0.00 6.26 2.10 -1.87 0.19 117.51 124.32 2dub h ILE 123 Ca -0.03 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.91 2dub h ILE 123 Cb 1.57 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 38.10 2dub h ILE 123 CO 0.13 0.00 -0.01 0.35 -1.08 0.00 0.00 178.15 177.53 2dub n THR 124 N -3.14 0.00 1.03 2.19 -2.24 -1.18 -3.13 114.28 107.82 2dub n THR 124 Ca -0.01 -0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 2dub n THR 124 Cb 0.28 -0.48 0.19 0.00 -2.10 0.00 0.00 70.33 68.22 2dub n THR 124 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dub n ARG 125 N -1.50 0.17 -2.32 -0.78 3.00 0.65 -4.89 116.66 110.99 2dub n ARG 125 Ca 0.07 -0.11 -0.42 0.00 -0.01 0.00 0.00 57.85 57.38 2dub n ARG 125 Cb 0.34 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.27 2dub n ARG 125 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2dub s ILE 126 N -2.91 3.85 0.13 0.55 -1.09 -1.18 -4.94 121.20 115.60 2dub s ILE 126 Ca 0.13 1.27 0.03 0.00 -2.23 0.00 0.00 60.65 59.85 2dub s ILE 126 Cb 0.17 -3.82 -0.20 0.00 -1.58 0.00 0.00 42.46 37.04 2dub s ILE 126 CO 0.70 0.04 1.29 0.11 -1.23 0.00 0.00 174.94 175.86 2dub h LYS 127 N 7.28 0.13 -7.08 2.79 1.57 -1.91 -3.46 116.57 115.89 2dub h LYS 127 Ca -0.39 -0.18 -0.46 0.00 -1.87 0.00 0.00 60.65 57.75 2dub h LYS 127 Cb 1.19 0.06 0.02 0.00 0.08 0.00 0.00 32.23 33.58 2dub h LYS 127 CO 0.86 1.02 0.37 0.15 -0.57 0.00 0.00 179.45 181.29 2dub s LYS 128 N -2.90 3.89 0.42 3.15 1.02 -1.26 -4.62 119.74 119.45 2dub s LYS 128 Ca -0.02 1.27 -0.26 0.00 0.02 0.00 0.00 55.97 56.99 2dub s LYS 128 Cb 0.09 -2.11 -0.09 0.00 -0.52 0.00 0.00 37.83 35.20 2dub s LYS 128 CO 0.84 -0.35 1.37 -2.14 -0.92 0.00 0.00 175.35 174.14 2dub s PRO 129 N -3.31 3.85 -0.13 -1.68 0.02 -1.26 -4.84 135.00 127.64 2dub s PRO 129 Ca 0.65 2.29 0.01 0.00 0.02 0.00 0.00 61.00 63.97 2dub s PRO 129 Cb -0.14 -2.72 0.02 0.00 0.02 0.00 0.00 34.50 31.68 2dub s PRO 129 CO 0.20 -0.64 -0.15 0.08 -0.33 0.00 0.00 177.00 176.16 2dub s VAL 130 N -1.23 1.59 -0.14 3.83 1.01 -1.26 -0.74 120.40 123.46 2dub s VAL 130 Ca 0.58 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 2dub s VAL 130 Cb -0.41 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2dub s VAL 130 CO 0.53 0.46 0.02 -0.63 0.00 0.00 0.00 175.10 175.48 2dub s ILE 131 N 1.25 4.45 -0.27 2.22 1.01 0.93 -1.18 121.20 129.62 2dub s ILE 131 Ca -0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.37 2dub s ILE 131 Cb -0.14 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 2dub s ILE 131 CO -0.07 0.52 0.21 0.00 0.00 0.00 0.00 174.94 175.60 2dub s ALA 132 N -0.09 3.56 -0.73 9.38 0.00 0.22 0.10 121.76 134.20 2dub s ALA 132 Ca 0.05 -0.99 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 2dub s ALA 132 Cb -0.12 -2.47 0.19 0.00 0.00 0.00 0.00 23.12 20.72 2dub s ALA 132 CO 0.02 -0.46 0.65 0.00 0.00 0.00 0.00 175.76 175.97 2dub s ALA 133 N 1.59 3.90 -0.39 0.00 0.00 0.35 -0.29 121.76 126.91 2dub s ALA 133 Ca 0.08 -3.12 -0.22 0.00 0.00 0.00 0.00 51.96 48.71 2dub s ALA 133 Cb -0.15 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.66 2dub s ALA 133 CO 0.09 -2.18 0.71 0.08 0.00 0.00 0.00 175.76 174.45 2dub s VAL 134 N 0.48 4.79 -0.04 0.00 1.01 0.74 -4.33 120.40 123.04 2dub s VAL 134 Ca 0.14 0.57 0.05 0.00 0.00 0.00 0.00 61.98 62.74 2dub s VAL 134 Cb -0.16 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 2dub s VAL 134 CO -0.05 -0.46 -0.19 0.20 0.00 0.00 0.00 175.10 174.60 2dub s ASN 135 N 1.90 3.66 0.75 3.32 0.01 -1.26 0.22 114.94 123.53 2dub s ASN 135 Ca 0.27 -0.30 0.00 0.00 -0.71 0.00 0.00 52.86 52.12 2dub s ASN 135 Cb -0.14 -0.71 0.00 0.00 0.41 0.00 0.00 41.25 40.81 2dub s ASN 135 CO 0.17 0.33 0.00 0.61 -1.51 0.00 0.00 177.10 176.70 2dub n GLY 136 N 2.43 1.77 3.71 0.66 0.00 -1.22 -1.83 105.19 110.70 2dub n GLY 136 Ca -0.17 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2dub n GLY 136 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dub s TYR 137 N 0.00 3.33 -0.44 1.61 2.02 -0.87 -0.55 117.35 122.45 2dub s TYR 137 Ca 0.00 1.11 0.05 0.00 -0.37 0.00 0.00 57.07 57.87 2dub s TYR 137 Cb 0.00 -3.56 0.19 0.00 -0.40 0.00 0.00 41.96 38.19 2dub s TYR 137 CO 0.00 -1.88 0.41 0.00 -1.57 0.00 0.00 175.55 172.52 2dub n ALA 138 N 3.90 2.86 -2.55 3.71 0.00 -0.15 -0.08 120.51 128.21 2dub n ALA 138 Ca 0.10 -3.38 -0.30 0.00 0.00 0.00 0.00 53.44 49.87 2dub n ALA 138 Cb 0.44 -0.80 -0.10 0.00 0.00 0.00 0.00 19.45 18.99 2dub n ALA 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dub s LEU 139 N -0.49 2.94 0.00 0.00 1.43 -0.69 -2.99 118.68 118.88 2dub s LEU 139 Ca 0.33 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2dub s LEU 139 Cb 0.07 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.54 2dub s LEU 139 CO -0.17 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.21 2dub n GLY 140 N 0.86 3.27 0.44 -3.19 0.00 -0.00 -0.50 105.19 106.07 2dub n GLY 140 Ca -0.14 -0.02 0.26 0.00 0.00 0.00 0.00 46.02 46.11 2dub n GLY 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2dub h GLY 141 N 0.00 0.62 1.07 -0.02 0.00 -1.88 0.35 103.07 103.21 2dub h GLY 141 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 2dub h GLY 141 CO 0.00 -0.05 0.03 -1.33 0.00 0.00 0.00 176.54 175.19 2dub h GLY 142 N 0.23 1.15 1.05 4.60 0.00 -0.91 -0.25 103.07 108.94 2dub h GLY 142 Ca 0.52 -0.83 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 2dub h GLY 142 CO -0.15 0.76 -0.20 0.00 0.00 0.00 0.00 176.54 176.96 2dub h GLU 144 N 0.72 0.82 -0.37 0.00 5.08 -0.96 -1.27 114.58 118.60 2dub h GLU 144 Ca 0.10 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2dub h GLU 144 Cb 0.76 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2dub h GLU 144 CO 0.06 0.75 0.09 1.25 -1.00 0.00 0.00 179.01 180.16 2dub h LEU 145 N 0.78 0.56 -0.85 1.33 5.85 -0.92 -1.21 115.31 120.86 2dub h LEU 145 Ca 0.17 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 2dub h LEU 145 Cb 0.32 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2dub h LEU 145 CO 0.00 0.65 0.28 0.00 -0.34 0.00 0.00 178.44 179.03 2dub h ALA 146 N 0.93 1.08 0.00 1.25 0.00 -1.13 -2.12 119.26 119.27 2dub h ALA 146 Ca 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2dub h ALA 146 Cb 0.31 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2dub h ALA 146 CO 0.00 0.65 -0.02 0.52 0.00 0.00 0.00 179.25 180.40 2dub h MET 147 N 1.10 0.00 0.00 0.00 2.86 -0.87 -1.27 114.93 116.74 2dub h MET 147 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2dub h MET 147 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2dub h MET 147 CO -0.02 0.02 0.00 0.52 1.06 0.00 0.00 176.91 178.49 2dub h MET 148 N 0.00 0.00 -7.23 1.72 2.07 -0.52 -3.45 114.93 107.52 2dub h MET 148 Ca -0.00 0.00 -0.50 0.00 -2.07 0.00 0.00 59.70 57.13 2dub h MET 148 Cb 0.46 0.00 0.08 0.00 -1.87 0.00 0.00 31.60 30.27 2dub h MET 148 CO 0.00 0.00 0.37 0.00 1.07 0.00 0.00 176.91 178.35 2dub h ASP 150 N 0.09 1.01 -4.41 0.00 3.32 -1.43 -3.45 116.42 111.55 2dub h ASP 150 Ca -0.46 -0.48 -0.42 0.00 0.02 0.00 0.00 57.03 55.69 2dub h ASP 150 Cb 1.22 -0.28 -0.23 0.00 0.22 0.00 0.00 39.33 40.26 2dub h ASP 150 CO 0.56 1.28 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.95 2dub s ILE 151 N -4.35 1.08 -0.09 0.35 1.01 -1.16 -5.05 121.20 112.99 2dub s ILE 151 Ca -0.11 -1.14 0.01 0.00 0.00 0.00 0.00 60.65 59.41 2dub s ILE 151 Cb 0.11 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.58 2dub s ILE 151 CO 0.89 -0.12 -0.11 -0.63 0.00 0.00 0.00 174.94 174.96 2dub s ILE 152 N -1.07 1.18 -0.08 2.92 1.01 -1.26 -0.61 121.20 123.29 2dub s ILE 152 Ca -0.01 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.21 2dub s ILE 152 Cb -0.09 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 2dub s ILE 152 CO 0.02 0.38 -0.11 -0.31 0.00 0.00 0.00 174.94 174.92 2dub s TYR 153 N 1.14 2.83 -0.02 3.97 1.51 0.60 -2.03 117.35 125.35 2dub s TYR 153 Ca -0.05 -0.21 0.08 0.00 -1.01 0.00 0.00 57.07 55.87 2dub s TYR 153 Cb -0.14 -1.73 -0.02 0.00 -0.11 0.00 0.00 41.96 39.95 2dub s TYR 153 CO -0.02 0.13 -0.25 0.00 -1.11 0.00 0.00 175.55 174.30 2dub s ALA 154 N -0.42 2.21 0.57 3.71 0.00 0.06 -0.18 121.76 127.70 2dub s ALA 154 Ca 0.06 -1.10 -0.16 0.00 0.00 0.00 0.00 51.96 50.75 2dub s ALA 154 Cb -0.12 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 2dub s ALA 154 CO 0.02 0.53 1.03 0.20 0.00 0.00 0.00 175.76 177.54 2dub s GLY 155 N -0.61 2.08 0.47 0.00 0.00 0.13 -0.91 107.32 108.49 2dub s GLY 155 Ca 0.10 0.30 0.34 0.00 0.00 0.00 0.00 44.72 45.45 2dub s GLY 155 CO -0.01 0.60 1.65 -2.09 0.00 0.00 0.00 173.10 173.25 2dub h GLU 156 N 0.57 0.08 -0.45 2.90 4.81 -0.83 0.38 114.58 122.04 2dub h GLU 156 Ca -0.47 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.59 2dub h GLU 156 Cb 1.21 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.47 2dub h GLU 156 CO 0.59 0.05 0.08 1.63 -0.73 0.00 0.00 179.01 180.63 2dub n LYS 157 N -4.47 2.51 -1.32 1.92 5.02 -1.26 -4.65 118.16 115.92 2dub n LYS 157 Ca 0.36 -3.05 -0.31 0.00 -2.02 0.00 0.00 58.31 53.29 2dub n LYS 157 Cb 1.48 -1.93 0.09 0.00 -0.02 0.00 0.00 35.03 34.65 2dub n LYS 157 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dub s ALA 158 N -3.08 2.26 -0.07 7.82 0.00 0.12 -3.92 121.76 124.89 2dub s ALA 158 Ca 0.47 0.32 -0.03 0.00 0.00 0.00 0.00 51.96 52.72 2dub s ALA 158 Cb 0.40 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 20.27 2dub s ALA 158 CO 0.06 -1.73 0.16 -0.65 0.00 0.00 0.00 175.76 173.60 2dub s GLN 159 N -4.77 0.11 0.03 0.00 -0.21 0.29 -3.01 119.66 112.09 2dub s GLN 159 Ca 0.62 0.41 0.06 0.00 0.02 0.00 0.00 55.36 56.47 2dub s GLN 159 Cb -0.18 -0.18 -0.03 0.00 1.00 0.00 0.00 33.01 33.62 2dub s GLN 159 CO 0.54 -0.17 -0.15 -0.06 -2.12 0.00 0.00 175.29 173.32 2dub s PHE 160 N 1.26 2.64 -0.17 0.91 0.40 -0.55 -0.97 117.98 121.50 2dub s PHE 160 Ca -0.09 -0.20 -0.35 0.00 -0.60 0.00 0.00 56.93 55.69 2dub s PHE 160 Cb -0.11 -1.50 0.14 0.00 0.51 0.00 0.00 43.02 42.06 2dub s PHE 160 CO -0.06 0.28 1.27 0.20 0.70 0.00 0.00 175.22 177.61 2dub s GLY 161 N -1.45 -0.31 -0.49 4.36 0.00 -1.16 -0.44 107.32 107.83 2dub s GLY 161 Ca 0.15 1.46 0.03 0.00 0.00 0.00 0.00 44.72 46.36 2dub s GLY 161 CO 0.06 0.46 0.31 1.20 0.00 0.00 0.00 173.10 175.13 2dub s GLN 162 N -2.33 1.45 0.00 2.90 -1.52 -1.26 -0.82 119.66 118.07 2dub s GLN 162 Ca 0.11 -2.29 0.03 0.00 -1.95 0.00 0.00 55.36 51.26 2dub s GLN 162 Cb 0.01 -2.38 0.09 0.00 -0.22 0.00 0.00 33.01 30.51 2dub s GLN 162 CO -0.04 -1.23 1.07 -0.35 -0.25 0.00 0.00 175.29 174.50 2dub n PRO 163 N 3.11 1.21 -0.27 2.91 -0.04 -1.26 -4.16 135.00 136.49 2dub n PRO 163 Ca 0.15 -0.33 0.21 0.00 -0.04 0.00 0.00 63.50 63.49 2dub n PRO 163 Cb 0.37 -1.07 0.53 0.00 -0.04 0.00 0.00 33.50 33.28 2dub n PRO 163 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2dub h GLU 164 N 0.54 0.36 -0.70 0.54 3.07 -1.90 0.04 114.58 116.53 2dub h GLU 164 Ca 0.00 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 2dub h GLU 164 Cb 0.12 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 2dub h GLU 164 CO 0.00 0.24 0.39 0.97 -1.40 0.00 0.00 179.01 179.21 2dub h ILE 165 N 0.37 1.21 0.00 3.13 6.09 -1.56 -0.67 117.51 126.08 2dub h ILE 165 Ca 0.52 -0.51 0.00 0.00 -1.37 0.00 0.00 64.86 63.50 2dub h ILE 165 Cb 1.36 0.26 0.00 0.00 0.47 0.00 0.00 36.82 38.91 2dub h ILE 165 CO -0.21 0.23 0.00 -0.07 -3.07 0.00 0.00 178.15 175.03 2dub h LEU 166 N 0.98 0.00 -2.55 2.19 3.38 -1.25 -1.73 115.31 116.33 2dub h LEU 166 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2dub h LEU 166 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2dub h LEU 166 CO -0.04 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.67 2dub n LEU 167 N -2.36 3.46 -0.14 1.67 4.77 -0.35 -4.94 117.00 119.11 2dub n LEU 167 Ca 0.01 -1.76 -0.02 0.00 -0.03 0.00 0.00 56.01 54.21 2dub n LEU 167 Cb 0.18 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2dub n LEU 167 CO 0.18 0.81 -0.02 0.61 -1.33 0.00 0.00 177.39 177.64 2dub n GLY 168 N 1.31 0.44 3.35 -0.72 0.00 -0.65 -5.03 105.19 103.89 2dub n GLY 168 Ca 0.19 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 2dub n GLY 168 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dub s THR 169 N -2.07 0.00 0.28 2.61 -1.32 -0.64 -5.02 115.64 109.48 2dub s THR 169 Ca 0.00 -1.86 0.12 0.00 -1.21 0.00 0.00 61.69 58.74 2dub s THR 169 Cb 0.00 -2.54 -0.05 0.00 -1.51 0.00 0.00 72.50 68.40 2dub s THR 169 CO 0.00 0.00 -0.20 0.27 -2.21 0.00 0.00 174.62 172.48 2dub s ILE 170 N -3.38 2.46 0.24 5.08 -4.36 -1.26 -1.87 121.20 118.12 2dub s ILE 170 Ca 0.37 -2.40 -0.31 0.00 -0.26 0.00 0.00 60.65 58.05 2dub s ILE 170 Cb 0.02 -2.31 -0.14 0.00 1.25 0.00 0.00 42.46 41.28 2dub s ILE 170 CO 0.24 -0.40 1.34 -2.65 0.24 0.00 0.00 174.94 173.71 2dub n PRO 171 N -0.62 1.89 -0.07 0.37 -0.02 -1.26 -4.89 135.00 130.40 2dub n PRO 171 Ca -0.05 0.67 0.03 0.00 -2.02 0.00 0.00 63.50 62.13 2dub n PRO 171 Cb 0.60 -2.28 0.06 0.00 -0.02 0.00 0.00 33.50 31.86 2dub n PRO 171 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dub n GLY 172 N 1.94 3.14 2.59 -1.23 0.00 -1.26 -4.68 105.19 105.70 2dub n GLY 172 Ca 0.11 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 2dub n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dub n ALA 173 N -0.32 3.87 -0.85 4.61 0.00 -1.26 -4.93 120.51 121.64 2dub n ALA 173 Ca 0.05 -3.53 0.00 0.00 0.00 0.00 0.00 53.44 49.96 2dub n ALA 173 Cb 0.35 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2dub n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dub n GLY 174 N -0.17 0.72 0.34 0.00 0.00 -1.26 -4.80 105.19 100.01 2dub n GLY 174 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 2dub n GLY 174 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2dub h GLY 175 N 0.00 0.88 1.32 -0.02 0.00 -1.92 0.11 103.07 103.44 2dub h GLY 175 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2dub h GLY 175 CO 0.00 0.32 -0.39 -1.30 0.00 0.00 0.00 176.54 175.17 2dub n THR 176 N -4.44 0.12 -0.11 4.70 -2.24 -1.26 -3.41 114.28 107.63 2dub n THR 176 Ca 0.07 -0.08 -0.18 0.00 -2.27 0.00 0.00 64.05 61.58 2dub n THR 176 Cb 0.05 -0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.16 2dub n THR 176 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dub n GLN 177 N -1.68 0.56 0.10 -0.78 1.13 -0.80 -4.09 117.38 111.82 2dub n GLN 177 Ca 0.05 0.25 -0.03 0.00 -1.94 0.00 0.00 57.00 55.33 2dub n GLN 177 Cb 0.37 -1.47 0.16 0.00 0.11 0.00 0.00 30.24 29.41 2dub n GLN 177 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dub h ARG 178 N -1.00 0.19 -0.11 -1.09 3.08 -1.02 -2.07 114.38 112.36 2dub h ARG 178 Ca -0.32 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.58 2dub h ARG 178 Cb 1.27 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 2dub h ARG 178 CO -0.19 0.70 -0.07 1.25 -1.07 0.00 0.00 179.97 180.58 2dub h LEU 179 N 0.15 0.26 -0.28 3.04 5.85 -1.68 -2.49 115.31 120.15 2dub h LEU 179 Ca -0.00 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 2dub h LEU 179 Cb 1.03 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2dub h LEU 179 CO 0.08 0.64 0.17 0.74 -0.34 0.00 0.00 178.44 179.74 2dub h THR 180 N -0.13 1.09 0.00 1.05 2.02 -1.70 0.19 112.91 115.44 2dub h THR 180 Ca 0.02 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 2dub h THR 180 Cb 0.55 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2dub h THR 180 CO 0.02 0.09 -0.06 0.03 0.37 0.00 0.00 175.52 175.97 2dub h ARG 181 N 0.36 0.00 0.03 6.66 3.08 -1.37 0.17 114.38 123.31 2dub h ARG 181 Ca 0.10 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.79 2dub h ARG 181 Cb -0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 2dub h ARG 181 CO -0.02 0.06 -2.24 0.00 -1.07 0.00 0.00 179.97 176.70 2dub n ALA 182 N -2.26 1.35 0.52 0.04 0.00 -0.94 -4.62 120.51 114.60 2dub n ALA 182 Ca -0.02 -1.02 0.09 0.00 0.00 0.00 0.00 53.44 52.49 2dub n ALA 182 Cb 0.17 -0.35 -0.11 0.00 0.00 0.00 0.00 19.45 19.15 2dub n ALA 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dub n VAL 183 N -3.13 0.00 0.00 0.00 0.31 0.62 -4.45 118.33 111.68 2dub n VAL 183 Ca -0.35 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 2dub n VAL 183 Cb 1.06 0.67 0.00 0.00 -0.91 0.00 0.00 33.84 34.66 2dub n VAL 183 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dub n GLY 184 N 1.44 1.03 0.13 2.92 0.00 0.59 -4.57 105.19 106.72 2dub n GLY 184 Ca 0.01 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 2dub n GLY 184 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dub h LYS 185 N 0.00 0.35 0.29 1.61 3.64 -1.94 -2.22 116.57 118.30 2dub h LYS 185 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2dub h LYS 185 Cb 0.00 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 2dub h LYS 185 CO 0.00 0.34 -0.45 1.03 -2.27 0.00 0.00 179.45 178.09 2dub h SER 186 N 0.28 -1.29 -0.58 4.20 0.87 -1.97 0.15 113.55 115.22 2dub h SER 186 Ca 0.09 0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.68 2dub h SER 186 Cb 0.09 0.46 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 2dub h SER 186 CO -0.01 -0.56 0.02 0.25 -0.53 0.00 0.00 176.83 175.99 2dub h LEU 187 N -0.80 1.00 -0.44 2.23 5.85 -1.81 -1.76 115.31 119.58 2dub h LEU 187 Ca -0.02 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2dub h LEU 187 Cb 0.76 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2dub h LEU 187 CO -0.16 1.04 0.28 0.00 -0.34 0.00 0.00 178.44 179.26 2dub h ALA 188 N 1.06 0.56 -0.70 1.25 0.00 -1.17 -0.93 119.26 119.33 2dub h ALA 188 Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2dub h ALA 188 Cb 0.52 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2dub h ALA 188 CO 0.03 0.04 0.36 0.52 0.00 0.00 0.00 179.25 180.19 2dub h MET 189 N 0.59 0.99 -0.08 0.00 2.86 -0.54 -0.38 114.93 118.38 2dub h MET 189 Ca 0.16 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2dub h MET 189 Cb -0.03 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 2dub h MET 189 CO -0.03 0.76 0.03 1.49 1.06 0.00 0.00 176.91 180.22 2dub h GLU 190 N 0.96 0.07 -0.11 1.72 4.81 -0.92 -0.90 114.58 120.21 2dub h GLU 190 Ca 0.24 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 2dub h GLU 190 Cb 0.08 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2dub h GLU 190 CO -0.03 0.05 0.01 0.52 -0.73 0.00 0.00 179.01 178.82 2dub h MET 191 N 0.07 0.18 -0.29 1.92 2.86 -0.95 -2.15 114.93 116.57 2dub h MET 191 Ca 0.03 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 2dub h MET 191 Cb 0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2dub h MET 191 CO -0.03 0.40 -0.28 0.28 1.06 0.00 0.00 176.91 178.33 2dub h VAL 192 N -0.06 1.28 0.00 -2.22 2.07 -1.06 0.26 116.25 116.52 2dub h VAL 192 Ca 0.03 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.11 2dub h VAL 192 Cb 0.30 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2dub h VAL 192 CO 0.00 0.44 -0.66 -0.07 0.02 0.00 0.00 177.57 177.30 2dub h LEU 193 N 0.51 0.00 0.00 2.57 3.38 -1.19 -3.37 115.31 117.21 2dub h LEU 193 Ca 0.07 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2dub h LEU 193 Cb 0.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2dub h LEU 193 CO 0.06 0.29 -1.62 0.35 0.09 0.00 0.00 178.44 177.61 2dub n THR 194 N -3.02 0.39 -0.81 0.22 -2.24 -0.81 -4.97 114.28 103.03 2dub n THR 194 Ca -0.00 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2dub n THR 194 Cb 0.67 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2dub n THR 194 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dub n GLY 195 N 2.13 0.67 3.75 3.38 0.00 0.90 -4.83 105.19 111.20 2dub n GLY 195 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2dub n GLY 195 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dub s ASP 196 N -2.25 5.05 0.15 1.61 1.11 -1.24 -4.38 116.67 116.73 2dub s ASP 196 Ca 0.00 2.41 0.03 0.00 0.18 0.00 0.00 52.55 55.16 2dub s ASP 196 Cb 0.00 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 2dub s ASP 196 CO 0.00 -1.69 0.28 -0.13 1.18 0.00 0.00 175.17 174.81 2dub s ARG 197 N -3.39 3.41 0.12 8.23 0.52 -1.26 -4.43 118.95 122.16 2dub s ARG 197 Ca 0.78 -0.62 0.09 0.00 -0.52 0.00 0.00 55.73 55.46 2dub s ARG 197 Cb -0.31 -2.95 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 2dub s ARG 197 CO 0.35 0.52 -0.22 0.96 0.02 0.00 0.00 175.30 176.92 2dub s ILE 198 N -1.75 1.91 0.97 1.52 -4.36 0.41 -4.95 121.20 114.95 2dub s ILE 198 Ca 0.34 -1.69 -0.14 0.00 -0.26 0.00 0.00 60.65 58.91 2dub s ILE 198 Cb -0.11 -1.75 0.17 0.00 1.25 0.00 0.00 42.46 42.02 2dub s ILE 198 CO 0.28 -0.06 1.17 -0.94 0.24 0.00 0.00 174.94 175.63 2dub s SER 199 N -2.11 3.03 0.17 4.36 1.04 -1.26 -1.48 113.70 117.45 2dub s SER 199 Ca 0.11 0.77 -0.11 0.00 0.48 0.00 0.00 55.95 57.19 2dub s SER 199 Cb -0.09 -1.19 0.05 0.00 0.10 0.00 0.00 66.02 64.90 2dub s SER 199 CO 0.05 -2.83 1.66 0.00 0.98 0.00 0.00 173.24 173.11 2dub h ALA 200 N -1.69 0.75 -0.55 5.32 0.00 -1.80 -0.49 119.26 120.79 2dub h ALA 200 Ca -0.48 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.14 2dub h ALA 200 Cb 1.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2dub h ALA 200 CO 0.53 0.48 0.15 1.96 0.00 0.00 0.00 179.25 182.37 2dub h GLN 201 N 0.83 0.84 -0.05 0.00 7.50 -1.90 -0.11 115.11 122.22 2dub h GLN 201 Ca 0.18 -0.17 -0.01 0.00 0.50 0.00 0.00 58.65 59.15 2dub h GLN 201 Cb 0.39 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.79 2dub h GLN 201 CO 0.01 0.75 0.00 -0.44 -1.50 0.00 0.00 178.83 177.65 2dub h ASP 202 N 0.82 0.08 -0.92 1.46 3.32 -1.82 -0.83 116.42 118.53 2dub h ASP 202 Ca 0.18 -0.30 0.07 0.00 0.02 0.00 0.00 57.03 57.00 2dub h ASP 202 Cb 0.28 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.74 2dub h ASP 202 CO -0.00 0.36 0.58 0.00 -1.72 0.00 0.00 179.24 178.46 2dub h ALA 203 N 0.72 1.28 -0.09 3.45 0.00 -0.74 0.33 119.26 124.21 2dub h ALA 203 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2dub h ALA 203 Cb 0.32 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2dub h ALA 203 CO 0.00 0.33 -0.08 -0.22 0.00 0.00 0.00 179.25 179.29 2dub h LYS 204 N 1.04 0.21 -0.89 0.00 3.64 -0.92 0.37 116.57 120.03 2dub h LYS 204 Ca 0.41 -0.11 0.09 0.00 -1.27 0.00 0.00 60.65 59.77 2dub h LYS 204 Cb 0.20 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.95 2dub h LYS 204 CO -0.18 0.62 0.53 0.37 -2.27 0.00 0.00 179.45 178.52 2dub h GLN 205 N -0.19 0.88 0.00 1.90 5.75 -0.73 -1.02 115.11 121.69 2dub h GLN 205 Ca 0.02 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2dub h GLN 205 Cb 0.58 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.93 2dub h GLN 205 CO 0.02 0.58 0.00 0.00 -2.65 0.00 0.00 178.83 176.78 2dub n ALA 206 N -2.37 2.17 -0.32 3.38 0.00 0.07 -4.92 120.51 118.52 2dub n ALA 206 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2dub n ALA 206 Cb 0.27 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2dub n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dub n GLY 207 N 1.10 0.82 0.24 0.00 0.00 -0.39 -4.28 105.19 102.68 2dub n GLY 207 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 2dub n GLY 207 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dub h LEU 208 N 0.00 0.92 -8.75 0.99 5.85 -0.52 -3.45 115.31 110.36 2dub h LEU 208 Ca 0.00 -0.54 -0.55 0.00 0.84 0.00 0.00 57.88 57.63 2dub h LEU 208 Cb 0.00 -0.26 -0.20 0.00 0.37 0.00 0.00 40.66 40.56 2dub h LEU 208 CO 0.00 1.29 -0.81 0.68 -0.34 0.00 0.00 178.44 179.26 2dub s VAL 209 N -4.11 1.79 -0.90 1.05 -7.23 -1.11 -4.71 120.40 105.19 2dub s VAL 209 Ca -0.11 -1.70 0.20 0.00 -1.81 0.00 0.00 61.98 58.57 2dub s VAL 209 Cb 0.09 -1.69 -0.23 0.00 0.56 0.00 0.00 36.38 35.11 2dub s VAL 209 CO 0.88 -0.15 0.84 -1.54 -0.31 0.00 0.00 175.10 174.82 2dub n SER 210 N 0.78 0.90 -3.74 4.85 3.41 -0.86 -4.19 113.62 114.77 2dub n SER 210 Ca -0.17 -0.91 -0.13 0.00 -0.26 0.00 0.00 58.87 57.40 2dub n SER 210 Cb 0.55 1.08 -0.08 0.00 -0.26 0.00 0.00 64.21 65.49 2dub n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2dub s LYS 211 N -2.99 0.72 -0.08 4.33 -0.14 -1.25 -5.08 119.74 115.25 2dub s LYS 211 Ca 0.07 -0.20 0.02 0.00 -1.36 0.00 0.00 55.97 54.50 2dub s LYS 211 Cb 0.15 0.32 0.02 0.00 -1.68 0.00 0.00 37.83 36.64 2dub s LYS 211 CO 0.85 -0.21 -0.12 0.42 -0.76 0.00 0.00 175.35 175.53 2dub s ILE 212 N -1.49 1.21 0.14 2.17 1.01 -1.26 -0.76 121.20 122.23 2dub s ILE 212 Ca -0.12 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.09 2dub s ILE 212 Cb -0.04 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 2dub s ILE 212 CO 0.04 0.38 -0.12 -0.36 0.00 0.00 0.00 174.94 174.88 2dub s PHE 213 N 0.90 1.34 0.51 3.97 0.08 -0.09 -4.92 117.98 119.77 2dub s PHE 213 Ca -0.10 -0.65 -0.22 0.00 0.12 0.00 0.00 56.93 56.07 2dub s PHE 213 Cb -0.15 -0.68 -0.07 0.00 -0.57 0.00 0.00 43.02 41.55 2dub s PHE 213 CO 0.01 0.13 1.23 -2.30 -0.10 0.00 0.00 175.22 174.19 2dub n PRO 214 N 0.11 1.58 -0.27 0.24 -0.02 -1.26 -0.17 135.00 135.21 2dub n PRO 214 Ca -0.12 0.58 0.08 0.00 -2.02 0.00 0.00 63.50 62.01 2dub n PRO 214 Cb 0.59 -2.40 0.21 0.00 -0.02 0.00 0.00 33.50 31.88 2dub n PRO 214 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2dub h VAL 215 N 1.45 0.37 -0.18 -1.45 2.07 -1.94 -0.99 116.25 115.58 2dub h VAL 215 Ca -0.49 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 2dub h VAL 215 Cb 1.32 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2dub h VAL 215 CO 0.57 0.03 -0.12 -0.33 0.02 0.00 0.00 177.57 177.74 2dub h GLU 216 N 0.18 0.28 -0.01 1.57 3.07 -2.01 -3.19 114.58 114.47 2dub h GLU 216 Ca 0.46 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 2dub h GLU 216 Cb 0.86 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 2dub h GLU 216 CO -0.62 0.41 -0.18 0.25 -1.40 0.00 0.00 179.01 177.47 2dub n THR 217 N -4.27 0.00 -0.11 1.13 -2.24 -0.83 -4.72 114.28 103.24 2dub n THR 217 Ca -0.00 -0.41 -0.14 0.00 -2.27 0.00 0.00 64.05 61.23 2dub n THR 217 Cb 0.27 1.24 -0.10 0.00 -2.10 0.00 0.00 70.33 69.64 2dub n THR 217 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2dub h LEU 218 N 2.26 -1.77 -1.48 3.22 5.85 -1.19 0.11 115.31 122.31 2dub h LEU 218 Ca 0.00 0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.98 2dub h LEU 218 Cb 0.57 0.72 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 2dub h LEU 218 CO 0.00 -0.40 0.38 0.58 -0.34 0.00 0.00 178.44 178.66 2dub h VAL 219 N -0.41 1.08 -0.26 1.05 2.07 -1.84 -0.66 116.25 117.26 2dub h VAL 219 Ca 0.06 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 2dub h VAL 219 Cb 0.59 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2dub h VAL 219 CO -0.55 0.12 0.05 -0.08 0.02 0.00 0.00 177.57 177.14 2dub h GLU 220 N 0.68 0.43 -0.63 1.57 4.81 -1.61 -1.55 114.58 118.28 2dub h GLU 220 Ca 0.23 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2dub h GLU 220 Cb 0.08 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2dub h GLU 220 CO -0.06 0.55 0.23 0.93 -0.73 0.00 0.00 179.01 179.93 2dub h GLU 221 N 0.25 0.93 -0.26 1.92 4.39 -0.26 -1.19 114.58 120.36 2dub h GLU 221 Ca 0.08 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 2dub h GLU 221 Cb 0.32 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2dub h GLU 221 CO 0.00 0.77 -0.28 0.00 -1.16 0.00 0.00 179.01 178.35 2dub h ALA 222 N 1.35 1.04 -0.32 3.43 0.00 -0.98 -2.26 119.26 121.51 2dub h ALA 222 Ca 0.21 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2dub h ALA 222 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2dub h ALA 222 CO -0.02 0.58 -0.30 0.82 0.00 0.00 0.00 179.25 180.34 2dub h ILE 223 N 0.45 1.28 -0.75 0.00 2.04 -0.62 -0.23 117.51 119.68 2dub h ILE 223 Ca 0.06 -1.42 -0.04 0.00 1.00 0.00 0.00 64.86 64.46 2dub h ILE 223 Cb 0.72 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2dub h ILE 223 CO 0.05 0.46 0.32 1.56 0.00 0.00 0.00 178.15 180.54 2dub h GLN 224 N 0.58 1.11 -0.50 2.37 4.20 -0.94 0.32 115.11 122.25 2dub h GLN 224 Ca 0.07 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 2dub h GLN 224 Cb 0.80 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 2dub h GLN 224 CO 0.07 0.89 -0.12 0.00 -0.67 0.00 0.00 178.83 179.00 2dub h ALA 226 N 0.90 1.40 0.57 0.00 0.00 -0.49 -1.83 119.26 119.81 2dub h ALA 226 Ca 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2dub h ALA 226 Cb 0.68 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2dub h ALA 226 CO 0.05 0.42 -0.27 1.49 0.00 0.00 0.00 179.25 180.93 2dub h GLU 227 N 0.40 -0.73 -0.35 0.00 4.81 0.08 0.95 114.58 119.74 2dub h GLU 227 Ca 0.08 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.44 2dub h GLU 227 Cb 0.36 0.17 -0.09 0.00 0.63 0.00 0.00 28.75 29.83 2dub h GLU 227 CO 0.02 -0.47 -0.33 0.87 -0.73 0.00 0.00 179.01 178.36 2dub h LYS 228 N -0.81 -0.28 -0.46 1.92 1.57 -0.95 0.11 116.57 117.67 2dub h LYS 228 Ca -0.08 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2dub h LYS 228 Cb 0.60 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 2dub h LYS 228 CO 0.13 -0.18 0.25 0.82 -0.57 0.00 0.00 179.45 179.89 2dub h ILE 229 N -0.29 1.00 -0.55 1.86 2.04 -1.27 -1.77 117.51 118.54 2dub h ILE 229 Ca 0.15 -0.17 0.09 0.00 1.00 0.00 0.00 64.86 65.94 2dub h ILE 229 Cb 0.54 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2dub h ILE 229 CO -0.50 0.09 0.37 0.00 0.00 0.00 0.00 178.15 178.11 2dub h ALA 230 N 1.23 2.04 -0.34 1.87 0.00 0.72 -1.64 119.26 123.14 2dub h ALA 230 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2dub h ALA 230 Cb 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2dub h ALA 230 CO -0.11 -0.16 0.15 -0.91 0.00 0.00 0.00 179.25 178.21 2dub h ASN 231 N 0.36 0.41 -4.24 0.00 2.35 0.07 -3.44 115.58 111.09 2dub h ASN 231 Ca 0.25 -0.03 -0.46 0.00 -0.55 0.00 0.00 56.30 55.51 2dub h ASN 231 Cb 0.53 -0.11 0.13 0.00 0.05 0.00 0.00 38.32 38.92 2dub h ASN 231 CO -0.06 0.37 0.30 0.20 -1.65 0.00 0.00 177.43 176.59 2dub s ASN 232 N -6.74 3.64 0.18 5.81 0.01 -0.62 -4.81 114.94 112.41 2dub s ASN 232 Ca -0.08 1.01 -0.32 0.00 -0.71 0.00 0.00 52.86 52.77 2dub s ASN 232 Cb 0.17 -1.61 -0.11 0.00 0.41 0.00 0.00 41.25 40.10 2dub s ASN 232 CO 0.73 -2.47 1.70 -0.55 -1.51 0.00 0.00 177.10 175.00 2dub s SER 233 N -4.00 6.44 0.16 -1.22 0.15 -1.26 -4.90 113.70 109.06 2dub s SER 233 Ca 0.63 2.78 -0.13 0.00 0.70 0.00 0.00 55.95 59.93 2dub s SER 233 Cb -0.15 -2.59 0.05 0.00 -1.71 0.00 0.00 66.02 61.62 2dub s SER 233 CO 0.53 -0.94 1.72 0.11 1.20 0.00 0.00 173.24 175.86 2dub h LYS 234 N 7.08 0.81 -0.54 5.44 1.57 -1.87 -0.17 116.57 128.89 2dub h LYS 234 Ca -0.43 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.12 2dub h LYS 234 Cb 1.20 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2dub h LYS 234 CO 0.95 0.70 0.02 0.97 -0.57 0.00 0.00 179.45 181.51 2dub h ILE 235 N 0.73 1.26 -0.43 1.86 2.10 -1.91 -0.65 117.51 120.47 2dub h ILE 235 Ca 0.18 -1.08 -0.15 0.00 1.08 0.00 0.00 64.86 64.89 2dub h ILE 235 Cb 0.19 0.89 -0.01 0.00 -1.09 0.00 0.00 36.82 36.81 2dub h ILE 235 CO -0.02 0.39 -0.31 0.40 -1.08 0.00 0.00 178.15 177.53 2dub h ILE 236 N 0.82 1.27 -0.86 2.19 1.08 -1.93 -2.31 117.51 117.77 2dub h ILE 236 Ca 0.16 -1.48 -0.03 0.00 -0.39 0.00 0.00 64.86 63.12 2dub h ILE 236 Cb 0.51 1.26 -0.04 0.00 -3.07 0.00 0.00 36.82 35.48 2dub h ILE 236 CO 0.02 0.50 0.43 0.58 -0.69 0.00 0.00 178.15 179.00 2dub h VAL 237 N 0.81 1.26 -0.35 1.67 2.07 -0.83 -0.40 116.25 120.48 2dub h VAL 237 Ca 0.08 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 2dub h VAL 237 Cb 0.90 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2dub h VAL 237 CO 0.08 0.31 -0.07 0.00 0.02 0.00 0.00 177.57 177.91 2dub h ALA 238 N 1.23 1.24 -0.28 1.67 0.00 -0.95 -1.05 119.26 121.12 2dub h ALA 238 Ca 0.30 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2dub h ALA 238 Cb 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2dub h ALA 238 CO -0.04 0.50 -0.27 0.52 0.00 0.00 0.00 179.25 179.96 2dub h MET 239 N 0.54 0.69 -0.23 0.00 2.07 -0.80 -2.09 114.93 115.10 2dub h MET 239 Ca 0.11 -0.36 -0.01 0.00 -2.07 0.00 0.00 59.70 57.37 2dub h MET 239 Cb 0.45 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.18 2dub h MET 239 CO 0.02 0.97 0.11 0.00 1.07 0.00 0.00 176.91 179.08 2dub h ALA 240 N 0.70 0.30 -0.93 6.32 0.00 -0.83 -1.06 119.26 123.76 2dub h ALA 240 Ca 0.05 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2dub h ALA 240 Cb 0.84 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2dub h ALA 240 CO 0.07 -0.14 0.62 -0.22 0.00 0.00 0.00 179.25 179.57 2dub h LYS 241 N 0.24 1.19 -0.36 0.00 3.64 -1.19 -0.57 116.57 119.53 2dub h LYS 241 Ca 0.08 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 2dub h LYS 241 Cb 0.11 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2dub h LYS 241 CO -0.01 0.79 -0.15 1.49 -2.27 0.00 0.00 179.45 179.30 2dub h GLU 242 N 1.23 0.64 -0.06 1.90 4.81 -1.05 -1.89 114.58 120.16 2dub h GLU 242 Ca 0.35 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2dub h GLU 242 Cb -0.08 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 2dub h GLU 242 CO -0.09 0.77 -0.01 1.03 -0.73 0.00 0.00 179.01 179.98 2dub h SER 243 N 0.58 0.11 -0.56 1.04 0.87 0.02 -2.28 113.55 113.33 2dub h SER 243 Ca 0.10 -0.36 0.01 0.00 -1.23 0.00 0.00 61.79 60.31 2dub h SER 243 Cb 0.59 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 2dub h SER 243 CO 0.04 0.44 0.36 0.58 -0.53 0.00 0.00 176.83 177.73 2dub h VAL 244 N -0.23 1.12 -0.33 2.23 2.07 -1.10 -2.02 116.25 117.99 2dub h VAL 244 Ca 0.01 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.30 2dub h VAL 244 Cb 0.40 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2dub h VAL 244 CO 0.01 0.13 0.22 0.78 0.02 0.00 0.00 177.57 178.73 2dub h ASN 245 N 0.73 0.34 0.31 0.57 2.35 -1.28 -1.24 115.58 117.36 2dub h ASN 245 Ca 0.21 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2dub h ASN 245 Cb -0.05 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.23 2dub h ASN 245 CO -0.06 0.24 0.00 0.00 -1.65 0.00 0.00 177.43 175.96 2dub h ALA 246 N 1.80 1.00 0.00 -0.83 0.00 -0.76 -2.29 119.26 118.19 2dub h ALA 246 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2dub h ALA 246 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2dub h ALA 246 CO -0.03 0.00 0.03 0.00 0.00 0.00 0.00 179.25 179.26 2dub h ALA 247 N 2.01 1.03 -0.31 0.00 0.00 -1.22 -0.60 119.26 120.18 2dub h ALA 247 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dub h ALA 247 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2dub h ALA 247 CO 0.00 -0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.41 2dub n PHE 248 N -2.85 0.40 -0.04 0.00 3.72 -0.86 -4.53 117.46 113.29 2dub n PHE 248 Ca -0.03 -0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.09 2dub n PHE 248 Cb 0.09 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 2dub n PHE 248 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2dub n GLU 249 N 1.00 -0.36 -3.85 -1.08 -0.58 -0.24 -5.08 120.64 110.45 2dub n GLU 249 Ca 0.14 -0.63 -0.07 0.00 -0.42 0.00 0.00 57.16 56.17 2dub n GLU 249 Cb 0.48 -0.98 -0.01 0.00 -0.57 0.00 0.00 31.44 30.35 2dub n GLU 249 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dub s MET 250 N -0.15 1.86 0.80 3.49 0.23 -1.18 -5.09 119.30 119.26 2dub s MET 250 Ca 0.00 -1.07 -0.11 0.00 -1.03 0.00 0.00 55.69 53.48 2dub s MET 250 Cb 0.00 0.61 0.07 0.00 -1.53 0.00 0.00 34.83 33.98 2dub s MET 250 CO 0.00 -0.86 1.11 0.95 -2.03 0.00 0.00 175.02 174.19 2dub s THR 251 N -3.56 2.95 0.22 3.16 -4.23 -1.26 -4.71 115.64 108.20 2dub s THR 251 Ca 0.12 0.32 -0.07 0.00 -1.18 0.00 0.00 61.69 60.88 2dub s THR 251 Cb -0.06 -2.70 0.17 0.00 1.34 0.00 0.00 72.50 71.26 2dub s THR 251 CO 0.08 -0.38 1.78 0.25 -0.54 0.00 0.00 174.62 175.81 2dub h LEU 252 N -1.19 0.47 -0.20 4.79 5.85 -1.97 0.11 115.31 123.17 2dub h LEU 252 Ca -0.44 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.39 2dub h LEU 252 Cb 1.24 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 2dub h LEU 252 CO 0.49 0.28 -0.10 0.74 -0.34 0.00 0.00 178.44 179.50 2dub h THR 253 N 0.61 0.67 -0.07 1.05 2.02 -2.00 0.35 112.91 115.56 2dub h THR 253 Ca 0.34 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.38 2dub h THR 253 Cb 0.34 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2dub h THR 253 CO -0.26 0.00 -0.61 -0.33 0.37 0.00 0.00 175.52 174.69 2dub h GLU 254 N -0.08 0.24 -0.70 6.66 4.39 -1.82 -2.32 114.58 120.94 2dub h GLU 254 Ca 0.11 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 2dub h GLU 254 Cb 0.25 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 2dub h GLU 254 CO -0.26 0.77 0.26 0.78 -1.16 0.00 0.00 179.01 179.41 2dub h GLY 255 N 1.48 1.14 1.51 -3.84 0.00 -0.23 -0.38 103.07 102.75 2dub h GLY 255 Ca -0.01 -0.64 -0.10 0.00 0.00 0.00 0.00 47.33 46.58 2dub h GLY 255 CO 0.09 0.60 -0.25 3.43 0.00 0.00 0.00 176.54 180.42 2dub h ASN 256 N 1.01 0.58 -0.42 0.19 2.35 -0.80 -0.62 115.58 117.87 2dub h ASN 256 Ca 0.23 -0.20 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 2dub h ASN 256 Cb 0.24 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2dub h ASN 256 CO -0.02 0.81 -0.14 0.11 -1.65 0.00 0.00 177.43 176.55 2dub h LYS 257 N 0.50 0.83 -0.45 0.81 1.57 -0.95 -1.20 116.57 117.68 2dub h LYS 257 Ca 0.07 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 2dub h LYS 257 Cb 0.70 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2dub h LYS 257 CO 0.05 0.97 0.12 1.25 -0.57 0.00 0.00 179.45 181.27 2dub h LEU 258 N 0.65 0.67 -1.22 2.94 5.85 -0.84 -1.88 115.31 121.50 2dub h LEU 258 Ca 0.10 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.63 2dub h LEU 258 Cb 0.68 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2dub h LEU 258 CO 0.05 0.72 0.54 -0.08 -0.34 0.00 0.00 178.44 179.33 2dub h GLU 259 N 0.59 0.98 -0.21 1.25 4.81 -0.99 -0.99 114.58 120.03 2dub h GLU 259 Ca 0.14 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2dub h GLU 259 Cb 0.30 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2dub h GLU 259 CO -0.00 0.65 0.04 -0.22 -0.73 0.00 0.00 179.01 178.75 2dub h LYS 260 N 1.01 0.35 -0.75 1.92 1.63 -0.79 0.10 116.57 120.04 2dub h LYS 260 Ca 0.33 -0.09 0.02 0.00 -0.85 0.00 0.00 60.65 60.06 2dub h LYS 260 Cb 0.04 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.59 2dub h LYS 260 CO -0.10 0.48 0.49 0.87 -3.45 0.00 0.00 179.45 177.74 2dub h LYS 261 N 0.15 0.95 -0.44 1.90 1.79 -0.73 0.72 116.57 120.90 2dub h LYS 261 Ca 0.07 -0.06 -0.10 0.00 -2.18 0.00 0.00 60.65 58.38 2dub h LYS 261 Cb 0.30 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 2dub h LYS 261 CO 0.00 0.63 -0.13 -0.07 -1.08 0.00 0.00 179.45 178.80 2dub h LEU 262 N 0.98 0.82 -0.63 2.94 3.38 -1.02 -1.51 115.31 120.26 2dub h LEU 262 Ca 0.29 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2dub h LEU 262 Cb -0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2dub h LEU 262 CO -0.09 0.96 0.36 0.15 0.09 0.00 0.00 178.44 179.91 2dub h PHE 263 N 0.74 0.85 -0.50 1.13 3.57 0.19 -1.79 116.94 121.12 2dub h PHE 263 Ca 0.12 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 2dub h PHE 263 Cb 0.63 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2dub h PHE 263 CO 0.03 0.59 0.03 1.88 -2.23 0.00 0.00 178.31 178.61 2dub h TYR 264 N 0.85 0.87 -0.96 0.41 0.05 -0.65 -2.82 116.97 114.72 2dub h TYR 264 Ca 0.22 -0.12 0.04 0.00 0.05 0.00 0.00 58.73 58.92 2dub h TYR 264 Cb 0.01 -0.24 -0.06 0.00 1.01 0.00 0.00 36.73 37.46 2dub h TYR 264 CO -0.01 0.79 0.63 0.77 -1.05 0.00 0.00 178.16 179.29 2dub h SER 265 N 0.77 1.05 -0.13 3.88 0.02 -0.46 -1.16 113.55 117.52 2dub h SER 265 Ca 0.15 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 2dub h SER 265 Cb 0.43 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2dub h SER 265 CO 0.02 0.72 0.21 0.71 -1.14 0.00 0.00 176.83 177.35 2dub h THR 266 N 1.22 0.28 0.00 -2.27 1.35 -1.11 0.21 112.91 112.59 2dub h THR 266 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.24 2dub h THR 266 Cb 0.00 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 2dub h THR 266 CO -0.12 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.64 2dub n PHE 267 N -3.48 0.00 0.55 4.73 3.01 -0.44 -2.07 117.46 119.77 2dub n PHE 267 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.56 2dub n PHE 267 Cb 0.31 -0.45 0.26 0.00 -0.01 0.00 0.00 39.48 39.59 2dub n PHE 267 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dub n ALA 268 N -1.45 2.44 -2.63 4.37 0.00 0.74 -4.92 120.51 119.06 2dub n ALA 268 Ca 0.06 -0.83 -0.25 0.00 0.00 0.00 0.00 53.44 52.43 2dub n ALA 268 Cb 0.24 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 2dub n ALA 268 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2dub s THR 269 N -1.45 3.46 0.16 0.00 -4.23 -0.88 -5.03 115.64 107.67 2dub s THR 269 Ca 0.35 -1.75 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 2dub s THR 269 Cb 0.19 -2.80 -0.15 0.00 1.34 0.00 0.00 72.50 71.08 2dub s THR 269 CO 0.25 -0.26 1.37 0.44 -0.54 0.00 0.00 174.62 175.89 2dub h ASP 270 N 2.28 0.29 -0.32 3.99 3.32 -1.53 -3.28 116.42 121.16 2dub h ASP 270 Ca -0.45 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.32 2dub h ASP 270 Cb 1.23 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 2dub h ASP 270 CO 0.58 1.03 0.07 0.44 -1.72 0.00 0.00 179.24 179.64 2dub h ASP 271 N 0.13 0.57 -0.10 6.45 3.32 -0.41 0.13 116.42 126.51 2dub h ASP 271 Ca -0.05 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 2dub h ASP 271 Cb 1.50 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.90 2dub h ASP 271 CO 0.14 0.60 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.11 2dub h ARG 272 N 0.60 0.21 -0.32 3.56 2.43 -1.75 0.36 114.38 119.48 2dub h ARG 272 Ca 0.13 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2dub h ARG 272 Cb 0.28 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 2dub h ARG 272 CO 0.00 0.57 0.05 -0.09 -1.51 0.00 0.00 179.97 178.99 2dub h ARG 273 N -0.15 0.15 -0.55 0.20 9.65 -1.55 -0.02 114.38 122.11 2dub h ARG 273 Ca 0.02 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 2dub h ARG 273 Cb 0.51 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.03 2dub h ARG 273 CO 0.02 0.10 0.26 1.49 2.80 0.00 0.00 179.97 184.64 2dub h GLU 274 N 0.15 0.79 -0.28 0.20 4.57 -0.63 -1.07 114.58 118.32 2dub h GLU 274 Ca 0.15 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2dub h GLU 274 Cb 0.17 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2dub h GLU 274 CO -0.21 0.65 0.15 0.78 -1.18 0.00 0.00 179.01 179.19 2dub h GLY 275 N 0.74 0.42 1.51 1.92 0.00 0.33 0.69 103.07 108.69 2dub h GLY 275 Ca 0.19 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 2dub h GLY 275 CO -0.02 0.19 -0.48 -0.33 0.00 0.00 0.00 176.54 175.89 2dub h MET 276 N 0.33 0.52 -0.37 4.80 2.86 -0.94 -2.58 114.93 119.56 2dub h MET 276 Ca 0.10 -0.30 -0.07 0.00 -2.06 0.00 0.00 59.70 57.37 2dub h MET 276 Cb 0.07 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2dub h MET 276 CO -0.02 0.89 -0.02 0.77 1.06 0.00 0.00 176.91 179.59 2dub h SER 277 N 0.42 0.66 -0.65 1.22 0.02 -1.01 -1.54 113.55 112.67 2dub h SER 277 Ca 0.02 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 60.67 2dub h SER 277 Cb 1.00 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 2dub h SER 277 CO 0.09 0.83 0.43 0.00 -1.14 0.00 0.00 176.83 177.04 2dub h ALA 278 N 0.86 1.59 0.12 3.77 0.00 -0.78 0.37 119.26 125.19 2dub h ALA 278 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2dub h ALA 278 Cb 0.50 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2dub h ALA 278 CO 0.02 0.36 -0.06 0.35 0.00 0.00 0.00 179.25 179.93 2dub h PHE 279 N 0.83 -0.15 -0.54 0.00 3.57 -1.15 0.14 116.94 119.63 2dub h PHE 279 Ca 0.25 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.79 2dub h PHE 279 Cb -0.01 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 2dub h PHE 279 CO -0.00 0.24 0.29 0.28 -2.23 0.00 0.00 178.31 176.89 2dub h VAL 280 N -0.57 0.97 -0.11 1.41 2.07 -0.86 -1.37 116.25 117.79 2dub h VAL 280 Ca -0.02 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2dub h VAL 280 Cb 0.45 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2dub h VAL 280 CO 0.03 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 177.10 2dub n GLU 281 N -4.85 1.55 -4.06 1.57 1.02 0.13 -4.91 120.64 111.09 2dub n GLU 281 Ca 0.05 -0.52 -0.34 0.00 -0.02 0.00 0.00 57.16 56.33 2dub n GLU 281 Cb 0.13 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 2dub n GLU 281 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2dub n LYS 282 N 0.03 -0.62 -4.11 3.49 4.76 -0.52 -4.94 118.16 116.26 2dub n LYS 282 Ca 0.05 0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.41 2dub n LYS 282 Cb 0.31 -2.52 -0.09 0.00 -1.84 0.00 0.00 35.03 30.90 2dub n LYS 282 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2dub s ARG 283 N -6.99 1.06 0.31 1.97 1.70 0.43 -5.04 118.95 112.40 2dub s ARG 283 Ca 0.22 -1.41 -0.29 0.00 -0.47 0.00 0.00 55.73 53.78 2dub s ARG 283 Cb -0.12 0.29 -0.10 0.00 -0.57 0.00 0.00 34.95 34.45 2dub s ARG 283 CO 0.85 -0.34 1.21 0.21 -1.08 0.00 0.00 175.30 176.15 2dub s LYS 284 N -4.05 4.49 0.20 3.89 2.20 -1.26 -4.35 119.74 120.85 2dub s LYS 284 Ca 0.25 2.01 -0.23 0.00 -0.36 0.00 0.00 55.97 57.64 2dub s LYS 284 Cb 0.06 -3.12 -0.08 0.00 -1.51 0.00 0.00 37.83 33.18 2dub s LYS 284 CO 0.04 0.00 0.77 0.00 -0.36 0.00 0.00 175.35 175.79 2dub s ALA 285 N -1.16 3.42 -0.47 3.13 0.00 -1.26 -4.92 121.76 120.51 2dub s ALA 285 Ca 0.47 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.74 2dub s ALA 285 Cb -0.36 -2.92 0.12 0.00 0.00 0.00 0.00 23.12 19.97 2dub s ALA 285 CO 0.47 0.30 0.22 1.21 0.00 0.00 0.00 175.76 177.96 2dub s ASN 286 N -1.36 4.77 0.19 0.00 2.47 -1.26 -5.09 114.94 114.67 2dub s ASN 286 Ca 0.39 -2.57 -0.28 0.00 0.42 0.00 0.00 52.86 50.82 2dub s ASN 286 Cb -0.20 -1.71 -0.08 0.00 -1.45 0.00 0.00 41.25 37.81 2dub s ASN 286 CO 0.24 -0.35 0.86 -0.36 -3.72 0.00 0.00 177.10 173.77 2dub s PHE 287 N 0.34 3.94 -0.22 0.43 0.08 -1.26 -4.94 117.98 116.34 2dub s PHE 287 Ca 0.14 1.78 0.10 0.00 0.12 0.00 0.00 56.93 59.06 2dub s PHE 287 Cb -0.22 -2.89 0.21 0.00 -0.57 0.00 0.00 43.02 39.55 2dub s PHE 287 CO -0.04 0.46 1.15 1.63 -0.10 0.00 0.00 175.22 178.32 2dub n LYS 288 N 1.65 2.45 -3.64 0.44 4.76 -1.26 -4.98 118.16 117.58 2dub n LYS 288 Ca -0.03 -2.10 -0.22 0.00 -2.87 0.00 0.00 58.31 53.08 2dub n LYS 288 Cb 0.48 -1.31 0.06 0.00 -1.84 0.00 0.00 35.03 32.42 2dub n LYS 288 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2dub n ASP 289 N -0.61 -3.18 0.00 4.39 8.00 -1.26 -5.00 116.55 118.88 2dub n ASP 289 Ca 0.10 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.90 2dub n ASP 289 Cb 0.49 -4.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.04 2dub n ASP 289 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81