#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dub s PHE 33 N 0.00 3.25 -0.15 1.20 0.08 -1.26 -5.03 117.98 116.06 1dub s PHE 33 Ca 0.00 0.16 -0.15 0.00 0.12 0.00 0.00 56.93 57.06 1dub s PHE 33 Cb 0.00 -1.70 -0.24 0.00 -0.57 0.00 0.00 43.02 40.51 1dub s PHE 33 CO 0.00 0.54 0.35 0.37 -0.10 0.00 0.00 175.22 176.38 1dub h GLN 34 N 3.87 0.15 -0.00 0.44 4.15 -1.97 -3.41 115.11 118.34 1dub h GLN 34 Ca -0.48 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 58.68 1dub h GLN 34 Cb 1.18 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1dub h GLN 34 CO 0.63 1.12 -0.96 0.66 -1.93 0.00 0.00 178.83 178.36 1dub n TYR 35 N -3.97 0.00 -4.15 3.99 4.01 -1.26 -4.95 117.16 110.83 1dub n TYR 35 Ca -0.30 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.34 1dub n TYR 35 Cb 0.86 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.79 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 -2.95 0.39 -0.15 -0.72 -4.36 -1.26 0.21 121.20 112.35 1dub s ILE 36 Ca 0.08 -1.89 0.01 0.00 -0.26 0.00 0.00 60.65 58.59 1dub s ILE 36 Cb 0.16 -1.76 0.02 0.00 1.25 0.00 0.00 42.46 42.13 1dub s ILE 36 CO 0.84 -0.78 -0.17 -0.63 0.24 0.00 0.00 174.94 174.44 1dub s ILE 37 N -3.83 1.77 0.07 8.37 1.01 0.11 -4.62 121.20 124.08 1dub s ILE 37 Ca 0.14 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1dub s ILE 37 Cb 0.07 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 1dub s ILE 37 CO -0.04 0.49 0.03 0.42 0.00 0.00 0.00 174.94 175.84 1dub s THR 38 N 1.30 4.22 -0.01 2.92 -4.23 -1.26 -0.02 115.64 118.56 1dub s THR 38 Ca 0.03 -0.83 -0.21 0.00 -1.18 0.00 0.00 61.69 59.50 1dub s THR 38 Cb -0.13 -2.99 0.04 0.00 1.34 0.00 0.00 72.50 70.76 1dub s THR 38 CO -0.10 0.18 0.45 -0.70 -0.54 0.00 0.00 174.62 173.91 1dub s GLU 39 N -2.17 0.85 -0.24 3.99 2.12 -0.01 -5.00 118.70 118.25 1dub s GLU 39 Ca 0.25 -0.10 -0.06 0.00 0.36 0.00 0.00 54.97 55.42 1dub s GLU 39 Cb -0.12 0.39 -0.02 0.00 0.26 0.00 0.00 34.13 34.64 1dub s GLU 39 CO 0.18 -0.26 0.03 0.15 -0.54 0.00 0.00 175.26 174.81 1dub s LYS 40 N -1.59 3.55 0.00 4.30 1.02 -1.26 0.74 119.74 126.50 1dub s LYS 40 Ca -0.11 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1dub s LYS 40 Cb -0.03 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 1dub s LYS 40 CO 0.04 -0.19 0.00 1.63 -0.92 0.00 0.00 175.35 175.92 1dub n LYS 41 N 4.86 1.65 0.00 1.68 5.02 0.38 -4.88 118.16 126.86 1dub n LYS 41 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1dub n LYS 41 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 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 3.69 -2.07 3.68 0.72 0.00 -1.26 -0.53 105.19 109.42 1dub n GLY 42 Ca 0.00 -1.50 -0.46 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.18 2.25 -2.17 1.61 4.81 -1.26 -0.73 118.16 120.49 1dub n LYS 43 Ca 0.00 0.82 -0.20 0.00 -0.87 0.00 0.00 58.31 58.06 1dub n LYS 43 Cb 0.00 -2.63 -0.03 0.00 0.02 0.00 0.00 35.03 32.39 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 4.73 -5.58 -3.88 3.14 3.02 -1.26 -2.69 115.26 112.73 1dub n ASN 44 Ca 0.19 0.11 -0.29 0.00 -0.03 0.00 0.00 54.58 54.56 1dub n ASN 44 Cb 0.30 -4.66 0.03 0.00 -0.61 0.00 0.00 39.78 34.84 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 -1.62 -4.43 0.08 6.41 7.64 0.10 -4.89 113.62 116.91 1dub n SER 45 Ca -0.22 -0.78 0.13 0.00 1.01 0.00 0.00 58.87 59.01 1dub n SER 45 Cb 0.67 -3.93 0.37 0.00 -1.01 0.00 0.00 64.21 60.30 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 -2.87 0.71 -4.51 6.43 3.41 -0.89 -4.50 113.62 111.40 1dub n SER 46 Ca 0.00 0.44 -0.34 0.00 -0.26 0.00 0.00 58.87 58.70 1dub n SER 46 Cb 0.54 -0.51 -0.12 0.00 -0.26 0.00 0.00 64.21 63.86 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 -3.10 4.12 -0.40 -3.33 1.01 0.31 -0.58 120.40 118.43 1dub s VAL 47 Ca 0.10 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 1dub s VAL 47 Cb 0.13 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.69 1dub s VAL 47 CO 0.62 0.46 0.31 -0.83 0.00 0.00 0.00 175.10 175.66 1dub s GLY 48 N 0.64 1.99 -0.17 4.51 0.00 -0.60 0.14 107.32 113.84 1dub s GLY 48 Ca -0.00 -1.64 -0.17 0.00 0.00 0.00 0.00 44.72 42.90 1dub s GLY 48 CO 0.02 0.94 0.45 -2.27 0.00 0.00 0.00 173.10 172.24 1dub s LEU 49 N 1.75 4.21 -0.13 0.66 2.96 0.23 -1.24 118.68 127.11 1dub s LEU 49 Ca 0.06 0.67 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 1dub s LEU 49 Cb -0.19 -2.63 -0.00 0.00 0.50 0.00 0.00 46.19 43.87 1dub s LEU 49 CO 0.11 -0.06 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.27 1dub s ILE 50 N 1.08 2.54 -0.14 6.68 1.01 0.12 -0.83 121.20 131.66 1dub s ILE 50 Ca 0.23 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1dub s ILE 50 Cb -0.15 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.29 1dub s ILE 50 CO 0.09 0.53 -0.16 -1.58 0.00 0.00 0.00 174.94 173.82 1dub s GLN 51 N 0.60 2.50 0.04 2.79 0.74 0.97 -1.25 119.66 126.05 1dub s GLN 51 Ca -0.10 -0.65 -0.30 0.00 0.05 0.00 0.00 55.36 54.36 1dub s GLN 51 Cb -0.16 -2.19 -0.06 0.00 1.10 0.00 0.00 33.01 31.70 1dub s GLN 51 CO 0.03 -0.17 1.31 -0.51 -0.55 0.00 0.00 175.29 175.40 1dub s LEU 52 N 1.26 4.34 -0.52 3.68 1.43 0.55 0.10 118.68 129.52 1dub s LEU 52 Ca 0.01 2.09 0.04 0.00 -1.03 0.00 0.00 54.13 55.24 1dub s LEU 52 Cb -0.14 -3.57 0.16 0.00 0.03 0.00 0.00 46.19 42.68 1dub s LEU 52 CO -0.08 -0.61 0.37 0.21 0.23 0.00 0.00 176.35 176.47 1dub s ASN 53 N 1.40 3.01 -0.42 2.29 2.47 0.13 -4.20 114.94 119.62 1dub s ASN 53 Ca 0.61 -3.24 0.09 0.00 0.42 0.00 0.00 52.86 50.74 1dub s ASN 53 Cb -0.31 -0.95 0.34 0.00 -1.45 0.00 0.00 41.25 38.88 1dub s ASN 53 CO 0.27 -0.16 0.96 -1.14 -3.72 0.00 0.00 177.10 173.31 1dub n ARG 54 N 2.69 1.00 0.12 0.43 0.63 -1.26 -4.40 116.66 115.88 1dub n ARG 54 Ca 0.22 -2.56 0.12 0.00 -0.92 0.00 0.00 57.85 54.71 1dub n ARG 54 Cb 0.41 -1.31 0.62 0.00 0.45 0.00 0.00 32.46 32.63 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 2.99 0.09 0.00 -0.14 0.13 -1.93 0.11 132.00 133.24 1dub h PRO 55 Ca -0.02 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.08 1dub h PRO 55 Cb 1.05 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1dub h PRO 55 CO 0.29 0.06 -0.12 0.87 -0.23 0.00 0.00 178.00 178.86 1dub h LYS 56 N 0.09 0.00 -0.28 0.86 1.57 -2.03 -1.93 116.57 114.85 1dub h LYS 56 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1dub h LYS 56 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1dub h LYS 56 CO -0.01 0.12 0.00 0.00 -0.57 0.00 0.00 179.45 178.99 1dub n ALA 57 N -2.20 2.83 -3.93 3.86 0.00 -0.86 -4.95 120.51 115.26 1dub n ALA 57 Ca -0.01 -2.06 -0.28 0.00 0.00 0.00 0.00 53.44 51.09 1dub n ALA 57 Cb 0.32 -0.66 0.01 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.28 -2.48 -2.64 0.00 4.77 -0.73 -1.40 117.00 114.23 1dub n LEU 58 Ca 0.19 -0.86 -0.16 0.00 -0.03 0.00 0.00 56.01 55.15 1dub n LEU 58 Cb 0.80 -2.45 -0.00 0.00 -2.33 0.00 0.00 43.42 39.43 1dub n LEU 58 CO 0.14 0.42 -0.14 0.59 -1.33 0.00 0.00 177.39 177.07 1dub n ASN 59 N -2.88 -4.36 -4.74 -1.43 3.02 0.32 -0.71 115.26 104.47 1dub n ASN 59 Ca -0.09 0.02 -0.42 0.00 -0.03 0.00 0.00 54.58 54.07 1dub n ASN 59 Cb 0.58 -3.66 -0.01 0.00 -0.61 0.00 0.00 39.78 36.09 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 -2.53 2.02 -2.06 5.41 0.00 -0.50 -4.17 120.51 118.68 1dub n ALA 60 Ca -0.14 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.25 1dub n ALA 60 Cb 0.61 -2.37 -0.01 0.00 0.00 0.00 0.00 19.45 17.68 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 0.98 5.41 -4.82 0.00 4.77 0.12 -4.77 117.00 118.68 1dub n LEU 61 Ca 0.04 -3.83 -0.30 0.00 -0.03 0.00 0.00 56.01 51.90 1dub n LEU 61 Cb 0.37 -1.65 0.08 0.00 -2.33 0.00 0.00 43.42 39.89 1dub n LEU 61 CO 0.63 0.27 0.72 0.00 -1.33 0.00 0.00 177.39 177.68 1dub h ASN 63 N -1.03 0.52 -0.54 0.00 2.35 -1.98 -0.66 115.58 114.25 1dub h ASN 63 Ca -0.47 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.36 1dub h ASN 63 Cb 1.27 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.62 1dub h ASN 63 CO 0.60 0.22 0.26 1.23 -1.65 0.00 0.00 177.43 178.09 1dub h GLY 64 N 0.62 0.83 0.93 2.83 0.00 -1.99 0.11 103.07 106.39 1dub h GLY 64 Ca 0.46 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1dub h GLY 64 CO -0.36 0.39 0.14 -2.00 0.00 0.00 0.00 176.54 174.70 1dub h LEU 65 N 0.72 0.38 -0.99 3.11 7.12 -1.57 -1.99 115.31 122.08 1dub h LEU 65 Ca 0.18 -0.13 -0.05 0.00 0.13 0.00 0.00 57.88 58.01 1dub h LEU 65 Cb 0.11 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.12 1dub h LEU 65 CO -0.02 0.41 0.12 0.40 -0.13 0.00 0.00 178.44 179.21 1dub h ILE 66 N 0.33 1.23 -0.54 4.05 1.08 -0.76 0.14 117.51 123.05 1dub h ILE 66 Ca 0.10 -0.85 -0.07 0.00 -0.39 0.00 0.00 64.86 63.65 1dub h ILE 66 Cb 0.13 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 34.54 1dub h ILE 66 CO -0.01 0.32 0.05 -0.08 -0.69 0.00 0.00 178.15 177.73 1dub h GLU 67 N 0.81 0.88 -0.09 2.37 4.81 -0.63 -0.15 114.58 122.58 1dub h GLU 67 Ca 0.18 -0.23 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 1dub h GLU 67 Cb 0.32 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.60 1dub h GLU 67 CO 0.00 0.84 -0.62 0.93 -0.73 0.00 0.00 179.01 179.44 1dub h GLU 68 N 0.82 0.58 -0.26 1.92 5.08 -0.74 -2.46 114.58 119.52 1dub h GLU 68 Ca 0.16 -0.50 0.04 0.00 -1.00 0.00 0.00 59.36 58.06 1dub h GLU 68 Cb 0.43 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1dub h GLU 68 CO 0.01 1.13 0.01 1.25 -1.00 0.00 0.00 179.01 180.41 1dub h LEU 69 N 0.20 -0.07 -1.52 1.33 5.85 -0.73 0.69 115.31 121.06 1dub h LEU 69 Ca -0.05 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1dub h LEU 69 Cb 1.27 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 1dub h LEU 69 CO 0.13 -0.00 -0.05 0.78 -0.34 0.00 0.00 178.44 178.95 1dub h ASN 70 N 0.10 0.23 0.04 1.25 2.35 -1.03 -0.37 115.58 118.15 1dub h ASN 70 Ca 0.12 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1dub h ASN 70 Cb 0.15 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1dub h ASN 70 CO -0.20 0.32 -0.02 1.56 -1.65 0.00 0.00 177.43 177.44 1dub h GLN 71 N 0.24 -0.05 -0.96 0.81 4.20 -0.71 -1.62 115.11 117.02 1dub h GLN 71 Ca 0.05 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.80 1dub h GLN 71 Cb 0.25 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 1dub h GLN 71 CO 0.01 0.30 0.63 0.00 -0.67 0.00 0.00 178.83 179.10 1dub h ALA 72 N 0.53 1.36 -0.24 3.87 0.00 -0.59 -0.87 119.26 123.32 1dub h ALA 72 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1dub h ALA 72 Cb 0.38 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1dub h ALA 72 CO 0.01 0.56 0.04 -0.07 0.00 0.00 0.00 179.25 179.79 1dub h LEU 73 N 1.24 0.38 -1.21 0.00 3.38 -1.01 -2.33 115.31 115.76 1dub h LEU 73 Ca 0.37 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1dub h LEU 73 Cb -0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1dub h LEU 73 CO -0.11 0.54 0.04 -0.08 0.09 0.00 0.00 178.44 178.93 1dub h GLU 74 N 0.20 0.58 0.29 1.13 4.57 -0.78 -0.40 114.58 120.17 1dub h GLU 74 Ca 0.07 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1dub h GLU 74 Cb 0.32 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1dub h GLU 74 CO 0.00 0.58 -0.14 1.15 -1.18 0.00 0.00 179.01 179.42 1dub h THR 75 N 0.56 0.75 -0.12 0.32 2.02 -1.01 -0.15 112.91 115.28 1dub h THR 75 Ca 0.12 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1dub h THR 75 Cb 0.30 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1dub h THR 75 CO 0.01 0.10 -0.06 -0.26 0.37 0.00 0.00 175.52 175.67 1dub h PHE 76 N -0.65 0.18 -0.60 3.16 0.04 -1.30 -0.06 116.94 117.71 1dub h PHE 76 Ca -0.04 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 1dub h PHE 76 Cb 0.46 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.53 1dub h PHE 76 CO 0.01 0.25 0.21 1.49 -0.60 0.00 0.00 178.31 179.66 1dub h GLU 77 N 0.17 0.92 -0.00 1.51 4.57 -0.77 -2.60 114.58 118.39 1dub h GLU 77 Ca 0.04 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1dub h GLU 77 Cb 0.23 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1dub h GLU 77 CO 0.01 0.81 -0.12 0.39 -1.18 0.00 0.00 179.01 178.92 1dub n GLU 78 N -4.42 0.67 -3.10 1.92 1.02 -0.09 -4.77 120.64 111.87 1dub n GLU 78 Ca 0.03 -0.24 -0.42 0.00 -0.02 0.00 0.00 57.16 56.52 1dub n GLU 78 Cb 0.19 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.50 6.47 0.14 1.62 -1.08 -0.14 -4.94 116.67 116.24 1dub s ASP 79 Ca 0.28 0.28 0.16 0.00 -0.52 0.00 0.00 52.55 52.76 1dub s ASP 79 Cb 0.20 -2.33 0.74 0.00 -1.46 0.00 0.00 42.92 40.06 1dub s ASP 79 CO 0.48 -0.56 1.51 -0.81 0.52 0.00 0.00 175.17 176.31 1dub n PRO 80 N 6.01 0.09 0.05 4.34 -0.05 -1.26 -1.37 135.00 142.81 1dub n PRO 80 Ca -0.01 0.41 0.12 0.00 -0.05 0.00 0.00 63.50 63.98 1dub n PRO 80 Cb 0.49 -1.71 0.19 0.00 -0.05 0.00 0.00 33.50 32.42 1dub n PRO 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1dub n ALA 81 N -1.64 2.97 -2.67 0.55 0.00 -1.26 -4.83 120.51 113.63 1dub n ALA 81 Ca 0.02 -0.25 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 1dub n ALA 81 Cb 0.14 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 1dub n ALA 81 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1dub s VAL 82 N -3.15 5.28 -0.03 0.00 1.01 -0.47 -3.87 120.40 119.17 1dub s VAL 82 Ca 0.07 0.45 0.13 0.00 0.00 0.00 0.00 61.98 62.63 1dub s VAL 82 Cb 0.14 -3.62 -0.20 0.00 0.00 0.00 0.00 36.38 32.70 1dub s VAL 82 CO 0.72 0.30 0.26 0.61 0.00 0.00 0.00 175.10 176.98 1dub n GLY 83 N 4.05 -0.61 3.27 4.51 0.00 0.26 -4.89 105.19 111.77 1dub n GLY 83 Ca -0.12 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.83 -0.86 -0.00 4.61 0.00 -1.23 -4.15 121.76 117.29 1dub s ALA 84 Ca -0.05 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.30 1dub s ALA 84 Cb 0.08 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1dub s ALA 84 CO 0.55 -0.32 -0.17 0.42 0.00 0.00 0.00 175.76 176.24 1dub s ILE 85 N -1.66 2.82 -0.17 0.00 1.01 -0.26 -1.55 121.20 121.39 1dub s ILE 85 Ca -0.11 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1dub s ILE 85 Cb -0.04 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.31 1dub s ILE 85 CO 0.03 0.46 -0.16 -0.69 0.00 0.00 0.00 174.94 174.58 1dub s VAL 86 N -0.82 2.54 -0.16 2.92 1.01 -0.37 -0.93 120.40 124.59 1dub s VAL 86 Ca 0.13 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1dub s VAL 86 Cb -0.10 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1dub s VAL 86 CO 0.03 0.51 -0.04 -0.22 0.00 0.00 0.00 175.10 175.38 1dub s LEU 87 N 0.99 3.20 0.28 3.92 2.96 0.36 -0.70 118.68 129.69 1dub s LEU 87 Ca -0.02 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1dub s LEU 87 Cb -0.15 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 1dub s LEU 87 CO -0.03 0.15 0.37 0.28 -1.32 0.00 0.00 176.35 175.79 1dub s THR 88 N 0.48 0.00 0.00 3.68 -1.32 -0.38 -0.50 115.64 117.60 1dub s THR 88 Ca -0.04 -1.70 0.00 0.00 -1.21 0.00 0.00 61.69 58.74 1dub s THR 88 Cb -0.14 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.36 1dub s THR 88 CO 0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1dub n GLY 89 N -0.46 4.20 4.03 6.08 0.00 -1.26 -0.33 105.19 117.45 1dub n GLY 89 Ca 0.01 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 1dub n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dub s GLY 90 N 0.00 1.71 0.30 -0.02 0.00 0.52 -4.65 107.32 105.18 1dub s GLY 90 Ca 0.00 -2.14 0.08 0.00 0.00 0.00 0.00 44.72 42.66 1dub s GLY 90 CO 0.00 -1.62 1.69 -2.09 0.00 0.00 0.00 173.10 171.08 1dub h GLU 91 N -0.01 0.18 0.00 2.90 4.81 -1.98 -3.13 114.58 117.36 1dub h GLU 91 Ca -0.30 -0.09 -0.26 0.00 -0.13 0.00 0.00 59.36 58.58 1dub h GLU 91 Cb 1.28 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 1dub h GLU 91 CO 0.40 0.60 -1.53 -0.22 -0.73 0.00 0.00 179.01 177.53 1dub h LYS 92 N 0.15 0.00 -2.40 1.92 3.64 -1.95 -3.19 116.57 114.74 1dub h LYS 92 Ca 0.01 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1dub h LYS 92 Cb 0.86 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.44 1dub h LYS 92 CO 0.07 0.58 -0.15 0.00 -2.27 0.00 0.00 179.45 177.68 1dub s ALA 93 N -2.65 -1.37 -0.09 5.00 0.00 -1.18 -1.51 121.76 119.97 1dub s ALA 93 Ca -0.03 1.79 -0.17 0.00 0.00 0.00 0.00 51.96 53.55 1dub s ALA 93 Cb 0.08 -1.06 -0.14 0.00 0.00 0.00 0.00 23.12 22.01 1dub s ALA 93 CO 0.82 -0.30 0.57 0.35 0.00 0.00 0.00 175.76 177.21 1dub h PHE 94 N 6.60 -0.10 -1.34 0.00 3.57 0.31 0.15 116.94 126.13 1dub h PHE 94 Ca -0.32 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.31 1dub h PHE 94 Cb 1.19 0.03 -0.23 0.00 2.79 0.00 0.00 35.95 39.73 1dub h PHE 94 CO 0.23 0.36 0.14 0.00 -2.23 0.00 0.00 178.31 176.81 1dub s ALA 95 N -2.95 -2.47 -1.90 2.41 0.00 -0.89 -4.34 121.76 111.62 1dub s ALA 95 Ca -0.10 2.15 0.04 0.00 0.00 0.00 0.00 51.96 54.05 1dub s ALA 95 Cb -0.01 -1.93 0.12 0.00 0.00 0.00 0.00 23.12 21.30 1dub s ALA 95 CO 0.38 -0.87 1.06 0.00 0.00 0.00 0.00 175.76 176.34 1dub n ALA 96 N 4.95 2.50 0.00 0.00 0.00 0.11 -1.66 120.51 126.41 1dub n ALA 96 Ca -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1dub n ALA 96 Cb 0.52 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 0.66 1.14 3.55 0.00 0.00 -0.87 -4.67 105.19 104.99 1dub n GLY 97 Ca 0.04 -2.30 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.15 0.12 -0.51 4.61 0.00 -1.26 0.11 121.76 123.68 1dub s ALA 98 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 51.96 51.72 1dub s ALA 98 Cb 0.00 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.88 1dub s ALA 98 CO 0.00 -3.48 0.89 0.34 0.00 0.00 0.00 175.76 173.51 1dub s ASP 99 N -2.67 6.38 0.25 0.00 -1.08 -1.25 -4.43 116.67 113.86 1dub s ASP 99 Ca 0.68 -0.23 -0.06 0.00 -0.52 0.00 0.00 52.55 52.41 1dub s ASP 99 Cb -0.24 -2.42 0.26 0.00 -1.46 0.00 0.00 42.92 39.07 1dub s ASP 99 CO 0.62 -1.10 1.91 0.40 0.52 0.00 0.00 175.17 177.52 1dub h ILE 100 N 6.02 1.22 -0.64 4.11 2.04 -1.97 -2.22 117.51 126.07 1dub h ILE 100 Ca -0.25 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1dub h ILE 100 Cb 1.08 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1dub h ILE 100 CO 1.04 0.23 0.41 0.11 0.00 0.00 0.00 178.15 179.94 1dub h LYS 101 N 1.28 0.85 0.00 2.37 1.57 -2.00 0.13 116.57 120.78 1dub h LYS 101 Ca 0.36 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1dub h LYS 101 Cb -0.10 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.02 1dub h LYS 101 CO -0.09 0.58 0.00 0.39 -0.57 0.00 0.00 179.45 179.76 1dub n GLU 102 N -4.42 0.22 -0.07 3.15 1.02 -0.85 -3.24 120.64 116.45 1dub n GLU 102 Ca 0.06 0.26 -0.06 0.00 -0.02 0.00 0.00 57.16 57.40 1dub n GLU 102 Cb 0.05 -1.80 -0.15 0.00 -0.02 0.00 0.00 31.44 29.52 1dub n GLU 102 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1dub n MET 103 N -2.20 0.68 -0.24 3.49 2.81 -0.52 -4.69 117.12 116.45 1dub n MET 103 Ca 0.05 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.04 1dub n MET 103 Cb 0.37 -1.56 0.20 0.00 -0.71 0.00 0.00 33.22 31.51 1dub n MET 103 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1dub n GLN 104 N -2.71 -0.05 -0.57 0.03 7.27 0.35 -1.17 117.38 120.52 1dub n GLN 104 Ca -0.26 1.02 0.08 0.00 0.07 0.00 0.00 57.00 57.91 1dub n GLN 104 Cb 1.04 -1.62 0.31 0.00 2.41 0.00 0.00 30.24 32.39 1dub n GLN 104 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1dub n ASN 105 N -4.92 4.47 -4.80 1.69 3.02 -1.26 -4.99 115.26 108.47 1dub n ASN 105 Ca 0.16 -2.71 -0.34 0.00 -0.03 0.00 0.00 54.58 51.66 1dub n ASN 105 Cb 0.52 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 39.09 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 -2.30 4.03 0.42 3.52 3.00 -0.32 -5.07 118.95 122.24 1dub s ARG 106 Ca 0.45 1.28 0.07 0.00 0.00 0.00 0.00 55.73 57.54 1dub s ARG 106 Cb 0.33 -2.20 -0.05 0.00 0.00 0.00 0.00 34.95 33.03 1dub s ARG 106 CO 0.16 -0.22 0.18 0.95 0.00 0.00 0.00 175.30 176.37 1dub s THR 107 N -2.01 2.22 0.16 0.02 -4.23 -1.26 -5.00 115.64 105.53 1dub s THR 107 Ca 0.64 -1.70 -0.13 0.00 -1.18 0.00 0.00 61.69 59.32 1dub s THR 107 Cb -0.14 -2.92 0.04 0.00 1.34 0.00 0.00 72.50 70.82 1dub s THR 107 CO 0.18 0.00 1.67 0.15 -0.54 0.00 0.00 174.62 176.08 1dub h PHE 108 N 1.39 0.87 0.00 3.99 3.57 -1.99 -0.48 116.94 124.30 1dub h PHE 108 Ca -0.43 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 60.92 1dub h PHE 108 Cb 1.26 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1dub h PHE 108 CO 0.68 0.76 -0.27 1.96 -2.23 0.00 0.00 178.31 179.21 1dub h GLN 109 N 0.73 0.00 -0.22 1.11 7.50 -1.98 0.01 115.11 122.26 1dub h GLN 109 Ca 0.17 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.29 1dub h GLN 109 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.84 1dub h GLN 109 CO -0.00 0.27 0.03 -0.44 -1.50 0.00 0.00 178.83 177.18 1dub h ASP 110 N 0.00 0.36 0.05 1.46 3.32 -1.78 -0.79 116.42 119.04 1dub h ASP 110 Ca -0.00 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 1dub h ASP 110 Cb 0.48 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1dub h ASP 110 CO 0.03 0.55 -0.03 0.00 -1.72 0.00 0.00 179.24 178.08 1dub h TYR 112 N -0.09 -1.06 -0.57 0.00 3.20 -0.94 -1.56 116.97 115.94 1dub h TYR 112 Ca -0.01 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 1dub h TYR 112 Cb 0.07 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1dub h TYR 112 CO -0.07 -0.66 0.16 0.77 -1.64 0.00 0.00 178.16 176.73 1dub h SER 113 N -1.31 0.81 -0.12 -2.11 0.02 -1.17 -2.32 113.55 107.35 1dub h SER 113 Ca -0.12 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1dub h SER 113 Cb 0.87 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1dub h SER 113 CO 0.19 0.78 0.00 0.61 -1.14 0.00 0.00 176.83 177.27 1dub n GLY 114 N -0.88 -0.33 4.12 -3.77 0.00 0.81 -4.90 105.19 100.23 1dub n GLY 114 Ca 0.04 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.16 -2.33 -1.58 1.61 5.02 -0.86 -4.78 118.16 115.09 1dub n LYS 115 Ca 0.10 0.28 -0.51 0.00 -2.02 0.00 0.00 58.31 56.16 1dub n LYS 115 Cb 0.16 -4.20 -0.05 0.00 -0.02 0.00 0.00 35.03 30.92 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 1.34 -1.13 2.13 7.35 -0.65 -1.78 117.46 120.26 1dub n PHE 116 Ca -0.29 0.68 -0.05 0.00 -0.76 0.00 0.00 57.45 57.03 1dub n PHE 116 Cb 0.68 -2.29 -0.02 0.00 0.35 0.00 0.00 39.48 38.20 1dub n PHE 116 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1dub n LEU 117 N 2.24 -0.08 0.23 -2.13 4.77 -1.26 -4.92 117.00 115.85 1dub n LEU 117 Ca 0.17 0.11 0.08 0.00 -0.03 0.00 0.00 56.01 56.35 1dub n LEU 117 Cb 0.21 -1.54 0.56 0.00 -2.33 0.00 0.00 43.42 40.32 1dub n LEU 117 CO 0.62 -0.50 0.88 0.77 -1.33 0.00 0.00 177.39 177.82 1dub h SER 118 N 0.00 0.00 0.21 -1.43 4.64 -1.70 -1.97 113.55 113.30 1dub h SER 118 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1dub h SER 118 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1dub h SER 118 CO 0.14 0.21 -0.12 1.41 -0.87 0.00 0.00 176.83 177.59 1dub n HIS 119 N -3.87 0.00 0.02 4.77 8.25 -1.26 -3.97 115.22 119.16 1dub n HIS 119 Ca -0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.42 1dub n HIS 119 Cb 0.30 -0.11 0.24 0.00 1.12 0.00 0.00 29.99 31.55 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 1.14 0.50 -0.90 4.41 4.06 -1.75 -3.06 115.95 120.35 1dub h TRP 120 Ca 0.00 -0.09 -0.58 0.00 2.06 0.00 0.00 58.89 60.28 1dub h TRP 120 Cb 0.41 -0.13 -0.30 0.00 -1.00 0.00 0.00 29.16 28.14 1dub h TRP 120 CO 0.00 0.62 0.50 -0.40 -3.56 0.00 0.00 178.44 175.60 1dub n ASP 121 N -4.17 6.01 0.15 -3.49 5.68 -1.25 -4.45 116.55 115.02 1dub n ASP 121 Ca 0.00 -3.75 -0.00 0.00 -0.50 0.00 0.00 54.79 50.54 1dub n ASP 121 Cb 0.36 -0.83 0.23 0.00 -1.14 0.00 0.00 41.12 39.74 1dub n ASP 121 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 1dub h HIS 122 N 1.73 0.03 -0.39 2.11 2.76 -1.79 -2.58 115.15 117.01 1dub h HIS 122 Ca 0.55 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.82 1dub h HIS 122 Cb 1.42 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.36 1dub h HIS 122 CO 1.35 0.55 0.31 0.97 -1.30 0.00 0.00 177.93 179.81 1dub h ILE 123 N 0.02 0.66 0.00 6.26 2.10 -1.86 0.18 117.51 124.87 1dub h ILE 123 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1dub h ILE 123 Cb 0.95 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 37.45 1dub h ILE 123 CO 0.07 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.49 1dub n THR 124 N -4.19 0.36 1.06 2.19 -2.24 -0.97 -2.25 114.28 108.25 1dub n THR 124 Ca 0.06 0.09 0.11 0.00 -2.27 0.00 0.00 64.05 62.05 1dub n THR 124 Cb 0.49 -0.72 0.08 0.00 -2.10 0.00 0.00 70.33 68.09 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 -1.34 0.77 -2.56 -0.78 1.74 0.62 -4.90 116.66 110.22 1dub n ARG 125 Ca 0.09 -0.59 -0.42 0.00 -0.77 0.00 0.00 57.85 56.16 1dub n ARG 125 Cb 0.20 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.12 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 -2.64 4.47 0.10 0.55 -1.09 -0.95 -4.95 121.20 116.70 1dub s ILE 126 Ca 0.17 1.77 -0.09 0.00 -2.23 0.00 0.00 60.65 60.27 1dub s ILE 126 Cb 0.18 -4.14 -0.21 0.00 -1.58 0.00 0.00 42.46 36.71 1dub s ILE 126 CO 0.63 0.01 1.25 0.11 -1.23 0.00 0.00 174.94 175.71 1dub h LYS 127 N 7.28 0.57 -7.03 2.79 1.79 -1.90 -3.46 116.57 116.61 1dub h LYS 127 Ca -0.33 -0.60 -0.51 0.00 -2.18 0.00 0.00 60.65 57.02 1dub h LYS 127 Cb 1.16 0.17 0.07 0.00 -1.58 0.00 0.00 32.23 32.05 1dub h LYS 127 CO 0.87 1.22 0.48 0.15 -1.08 0.00 0.00 179.45 181.08 1dub s LYS 128 N -3.31 3.58 0.43 3.15 1.02 -1.26 -4.64 119.74 118.71 1dub s LYS 128 Ca -0.08 1.76 -0.25 0.00 0.02 0.00 0.00 55.97 57.42 1dub s LYS 128 Cb 0.08 -2.27 -0.08 0.00 -0.52 0.00 0.00 37.83 35.04 1dub s LYS 128 CO 0.90 -0.70 1.28 -2.14 -0.92 0.00 0.00 175.35 173.77 1dub s PRO 129 N -2.89 3.86 -0.07 -1.68 0.02 -1.26 -4.84 135.00 128.14 1dub s PRO 129 Ca 0.67 2.09 0.04 0.00 0.02 0.00 0.00 61.00 63.82 1dub s PRO 129 Cb -0.28 -2.65 -0.00 0.00 0.02 0.00 0.00 34.50 31.59 1dub s PRO 129 CO 0.33 -0.56 -0.21 0.08 -0.33 0.00 0.00 177.00 176.31 1dub s VAL 130 N -1.32 1.77 -0.08 3.83 1.01 -1.26 -1.10 120.40 123.25 1dub s VAL 130 Ca 0.59 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1dub s VAL 130 Cb -0.36 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1dub s VAL 130 CO 0.46 0.50 -0.21 -0.63 0.00 0.00 0.00 175.10 175.22 1dub s ILE 131 N 0.20 2.40 -0.27 2.22 1.01 -0.11 -0.86 121.20 125.79 1dub s ILE 131 Ca -0.11 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.50 1dub s ILE 131 Cb -0.15 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 1dub s ILE 131 CO 0.05 0.56 0.20 0.00 0.00 0.00 0.00 174.94 175.75 1dub s ALA 132 N -0.04 3.54 -0.76 9.38 0.00 0.49 -0.49 121.76 133.89 1dub s ALA 132 Ca -0.06 -1.04 -0.14 0.00 0.00 0.00 0.00 51.96 50.72 1dub s ALA 132 Cb -0.15 -2.47 0.20 0.00 0.00 0.00 0.00 23.12 20.70 1dub s ALA 132 CO 0.05 -0.50 0.70 0.00 0.00 0.00 0.00 175.76 176.01 1dub s ALA 133 N 1.66 3.98 -0.44 0.00 0.00 0.35 -0.68 121.76 126.62 1dub s ALA 133 Ca 0.08 -3.16 -0.24 0.00 0.00 0.00 0.00 51.96 48.63 1dub s ALA 133 Cb -0.16 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.55 1dub s ALA 133 CO 0.10 -2.22 0.86 0.08 0.00 0.00 0.00 175.76 174.58 1dub s VAL 134 N 0.45 4.56 -0.08 0.00 1.01 0.08 -4.31 120.40 122.12 1dub s VAL 134 Ca 0.15 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.81 1dub s VAL 134 Cb -0.14 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.84 1dub s VAL 134 CO -0.06 -0.74 -0.12 0.20 0.00 0.00 0.00 175.10 174.38 1dub s ASN 135 N 2.16 4.21 0.57 3.32 0.01 -1.26 -0.22 114.94 123.73 1dub s ASN 135 Ca 0.34 -0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.31 1dub s ASN 135 Cb -0.11 -1.13 0.00 0.00 0.41 0.00 0.00 41.25 40.42 1dub s ASN 135 CO 0.24 0.30 0.00 0.61 -1.51 0.00 0.00 177.10 176.74 1dub n GLY 136 N 2.60 1.29 3.73 0.66 0.00 -1.21 -1.87 105.19 110.39 1dub n GLY 136 Ca -0.18 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 3.35 -0.43 1.61 2.02 -0.57 -0.79 117.35 122.55 1dub s TYR 137 Ca 0.00 1.26 0.04 0.00 -0.37 0.00 0.00 57.07 58.00 1dub s TYR 137 Cb 0.00 -3.52 0.17 0.00 -0.40 0.00 0.00 41.96 38.21 1dub s TYR 137 CO 0.00 -1.61 0.34 0.00 -1.57 0.00 0.00 175.55 172.71 1dub s ALA 138 N 0.41 1.57 0.10 3.71 0.00 0.10 -0.01 121.76 127.64 1dub s ALA 138 Ca 0.57 -2.52 0.07 0.00 0.00 0.00 0.00 51.96 50.09 1dub s ALA 138 Cb -0.34 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 1dub s ALA 138 CO 0.34 -1.99 -0.12 -0.51 0.00 0.00 0.00 175.76 173.48 1dub s LEU 139 N 0.02 2.96 0.00 0.00 1.43 -0.66 -2.72 118.68 119.71 1dub s LEU 139 Ca 0.31 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1dub s LEU 139 Cb 0.01 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1dub s LEU 139 CO -0.18 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.19 1dub n GLY 140 N 0.75 3.38 0.33 -3.19 0.00 -0.02 -0.29 105.19 106.14 1dub n GLY 140 Ca -0.14 0.02 0.18 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 1.25 -0.02 0.00 -1.87 0.12 103.07 102.54 1dub h GLY 141 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1dub h GLY 141 CO 0.00 0.00 -0.72 -1.33 0.00 0.00 0.00 176.54 174.49 1dub h GLY 142 N 0.00 0.83 0.83 4.60 0.00 -0.77 -1.42 103.07 107.14 1dub h GLY 142 Ca 0.04 -1.11 -0.03 0.00 0.00 0.00 0.00 47.33 46.23 1dub h GLY 142 CO -0.00 0.99 0.01 0.00 0.00 0.00 0.00 176.54 177.54 1dub h GLU 144 N 0.15 1.14 -0.32 0.00 5.08 -1.34 0.05 114.58 119.34 1dub h GLU 144 Ca 0.06 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1dub h GLU 144 Cb 0.38 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1dub h GLU 144 CO 0.01 0.75 0.17 1.25 -1.00 0.00 0.00 179.01 180.19 1dub h LEU 145 N 1.17 0.40 -0.53 1.33 5.85 -1.14 0.51 115.31 122.90 1dub h LEU 145 Ca 0.33 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1dub h LEU 145 Cb -0.10 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1dub h LEU 145 CO -0.08 0.38 0.35 0.00 -0.34 0.00 0.00 178.44 178.74 1dub h ALA 146 N 1.04 0.67 0.00 1.25 0.00 -0.89 -2.33 119.26 119.00 1dub h ALA 146 Ca 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1dub h ALA 146 Cb 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1dub h ALA 146 CO -0.02 0.10 -0.16 0.52 0.00 0.00 0.00 179.25 179.69 1dub h MET 147 N 0.70 0.00 0.00 0.00 2.86 -0.57 -1.42 114.93 116.50 1dub h MET 147 Ca 0.20 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 1dub h MET 147 Cb -0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1dub h MET 147 CO -0.05 0.16 -0.28 0.52 1.06 0.00 0.00 176.91 178.32 1dub h MET 148 N 0.00 0.00 -7.24 1.72 2.07 -0.34 -3.44 114.93 107.70 1dub h MET 148 Ca -0.00 0.00 -0.51 0.00 -2.07 0.00 0.00 59.70 57.12 1dub h MET 148 Cb 0.53 0.00 0.11 0.00 -1.87 0.00 0.00 31.60 30.38 1dub h MET 148 CO 0.02 0.28 0.35 0.00 1.07 0.00 0.00 176.91 178.63 1dub h ASP 150 N -0.41 0.86 -4.15 0.00 3.32 -1.28 -3.45 116.42 111.31 1dub h ASP 150 Ca -0.46 -0.48 -0.39 0.00 0.02 0.00 0.00 57.03 55.73 1dub h ASP 150 Cb 1.24 -0.25 -0.27 0.00 0.22 0.00 0.00 39.33 40.27 1dub h ASP 150 CO 0.53 1.25 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.90 1dub s ILE 151 N -4.02 0.75 -0.11 0.35 1.01 -1.14 -5.04 121.20 112.99 1dub s ILE 151 Ca -0.09 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.04 1dub s ILE 151 Cb 0.10 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.93 1dub s ILE 151 CO 0.88 0.11 -0.20 -0.63 0.00 0.00 0.00 174.94 175.09 1dub s ILE 152 N -0.43 1.85 -0.06 2.92 1.01 -1.26 -0.38 121.20 124.85 1dub s ILE 152 Ca 0.02 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.82 1dub s ILE 152 Cb -0.05 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 1dub s ILE 152 CO -0.00 0.51 -0.10 -0.31 0.00 0.00 0.00 174.94 175.04 1dub s TYR 153 N 0.67 2.85 0.00 3.97 1.51 0.14 -1.46 117.35 125.03 1dub s TYR 153 Ca -0.12 -0.04 0.06 0.00 -1.01 0.00 0.00 57.07 55.96 1dub s TYR 153 Cb -0.16 -1.68 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 1dub s TYR 153 CO 0.03 0.28 -0.19 0.00 -1.11 0.00 0.00 175.55 174.56 1dub s ALA 154 N -0.79 1.60 0.72 3.71 0.00 0.03 -0.74 121.76 126.29 1dub s ALA 154 Ca 0.12 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 51.09 1dub s ALA 154 Cb -0.11 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1dub s ALA 154 CO 0.01 0.38 1.07 0.20 0.00 0.00 0.00 175.76 177.42 1dub s GLY 155 N -0.69 1.69 0.53 0.00 0.00 0.69 -0.37 107.32 109.17 1dub s GLY 155 Ca 0.07 0.17 0.19 0.00 0.00 0.00 0.00 44.72 45.15 1dub s GLY 155 CO 0.00 0.49 2.11 0.83 0.00 0.00 0.00 173.10 176.53 1dub h GLU 156 N -0.82 0.00 -0.69 2.90 5.08 -1.35 -1.97 114.58 117.74 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 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1dub h GLU 156 CO 0.55 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.19 1dub n LYS 157 N -4.47 3.34 -2.14 2.33 4.76 -1.26 -4.61 118.16 116.11 1dub n LYS 157 Ca 0.01 -2.76 -0.34 0.00 -2.87 0.00 0.00 58.31 52.34 1dub n LYS 157 Cb 0.24 -1.78 0.01 0.00 -1.84 0.00 0.00 35.03 31.67 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 -1.55 2.65 -0.02 7.82 0.00 -0.74 -4.17 121.76 125.75 1dub s ALA 158 Ca 0.50 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1dub s ALA 158 Cb 0.30 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 20.10 1dub s ALA 158 CO 0.28 -0.87 0.01 -0.65 0.00 0.00 0.00 175.76 174.52 1dub s GLN 159 N -3.49 0.10 0.06 0.00 -0.21 0.03 -1.85 119.66 114.30 1dub s GLN 159 Ca 0.71 0.08 0.08 0.00 0.02 0.00 0.00 55.36 56.25 1dub s GLN 159 Cb -0.23 -0.26 -0.03 0.00 1.00 0.00 0.00 33.01 33.49 1dub s GLN 159 CO 0.30 -0.10 -0.18 -0.06 -2.12 0.00 0.00 175.29 173.14 1dub s PHE 160 N 0.70 2.55 -0.21 0.91 0.40 -0.26 -0.72 117.98 121.35 1dub s PHE 160 Ca -0.06 -0.26 -0.36 0.00 -0.60 0.00 0.00 56.93 55.65 1dub s PHE 160 Cb -0.09 -1.43 0.14 0.00 0.51 0.00 0.00 43.02 42.15 1dub s PHE 160 CO -0.02 0.29 1.26 0.20 0.70 0.00 0.00 175.22 177.65 1dub s GLY 161 N -1.62 -0.27 -0.62 4.36 0.00 -1.10 -0.10 107.32 107.96 1dub s GLY 161 Ca 0.15 1.65 0.05 0.00 0.00 0.00 0.00 44.72 46.57 1dub s GLY 161 CO 0.06 0.54 0.43 1.20 0.00 0.00 0.00 173.10 175.34 1dub s GLN 162 N -2.31 2.08 0.00 2.90 -1.52 -1.26 -0.84 119.66 118.70 1dub s GLN 162 Ca 0.10 -2.99 0.00 0.00 -1.95 0.00 0.00 55.36 50.53 1dub s GLN 162 Cb -0.01 -2.99 0.03 0.00 -0.22 0.00 0.00 33.01 29.82 1dub s GLN 162 CO -0.04 -1.28 0.98 -0.35 -0.25 0.00 0.00 175.29 174.35 1dub n PRO 163 N 2.31 0.96 -0.26 2.91 -0.04 -1.26 -4.21 135.00 135.41 1dub n PRO 163 Ca 0.20 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.77 1dub n PRO 163 Cb 0.37 -1.01 0.38 0.00 -0.04 0.00 0.00 33.50 33.20 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 0.00 0.67 -0.30 0.54 3.07 -1.90 -1.56 114.58 115.11 1dub h GLU 164 Ca 0.00 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1dub h GLU 164 Cb 0.00 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 1dub h GLU 164 CO 0.00 0.45 0.20 0.97 -1.40 0.00 0.00 179.01 179.22 1dub h ILE 165 N 0.69 1.04 0.00 3.13 6.09 -1.58 0.72 117.51 127.60 1dub h ILE 165 Ca 0.43 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.81 1dub h ILE 165 Cb 0.68 0.67 0.00 0.00 0.47 0.00 0.00 36.82 38.64 1dub h ILE 165 CO -0.19 0.06 0.00 -0.07 -3.07 0.00 0.00 178.15 174.88 1dub h LEU 166 N 0.34 0.00 -2.26 2.19 3.38 -1.54 -2.06 115.31 115.35 1dub h LEU 166 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1dub h LEU 166 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1dub h LEU 166 CO -0.03 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.68 1dub n LEU 167 N -2.67 3.21 0.00 1.67 4.77 0.18 -4.94 117.00 119.21 1dub n LEU 167 Ca 0.01 -1.46 0.00 0.00 -0.03 0.00 0.00 56.01 54.53 1dub n LEU 167 Cb 0.24 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1dub n LEU 167 CO 0.22 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1dub n GLY 168 N 1.29 0.40 3.28 -0.72 0.00 -0.77 -5.03 105.19 103.63 1dub n GLY 168 Ca 0.17 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.96 1dub n GLY 168 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1dub s THR 169 N -2.00 0.03 0.37 2.61 -1.32 -0.81 -5.02 115.64 109.50 1dub s THR 169 Ca 0.00 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.56 1dub s THR 169 Cb 0.00 -2.49 -0.07 0.00 -1.51 0.00 0.00 72.50 68.42 1dub s THR 169 CO 0.00 0.00 -0.03 0.27 -2.21 0.00 0.00 174.62 172.65 1dub s ILE 170 N -3.53 2.01 0.27 5.08 -4.36 -1.26 -2.02 121.20 117.38 1dub s ILE 170 Ca 0.40 -2.08 -0.30 0.00 -0.26 0.00 0.00 60.65 58.41 1dub s ILE 170 Cb 0.03 -2.83 -0.11 0.00 1.25 0.00 0.00 42.46 40.81 1dub s ILE 170 CO 0.25 -0.09 1.53 -2.84 0.24 0.00 0.00 174.94 174.03 1dub s PRO 171 N -3.69 4.18 -0.05 0.37 0.02 -1.26 -4.91 135.00 129.65 1dub s PRO 171 Ca 0.34 2.47 0.08 0.00 0.02 0.00 0.00 61.00 63.91 1dub s PRO 171 Cb 0.07 -3.06 0.17 0.00 0.02 0.00 0.00 34.50 31.71 1dub s PRO 171 CO 0.17 -0.55 1.12 0.41 -0.33 0.00 0.00 177.00 177.82 1dub n GLY 172 N 2.19 3.61 2.73 0.52 0.00 -1.26 -4.62 105.19 108.37 1dub n GLY 172 Ca 0.08 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.63 3.05 -0.26 4.61 0.00 -1.26 -4.96 120.51 121.06 1dub n ALA 173 Ca 0.08 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.55 1dub n ALA 173 Cb 0.45 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.39 0.84 0.25 0.00 0.00 -1.26 -4.80 105.19 99.83 1dub n GLY 174 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 0.29 -0.02 0.00 -1.93 0.23 103.07 101.64 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 -0.76 -1.30 0.00 0.00 0.00 176.54 174.48 1dub n THR 176 N -3.27 0.00 -0.06 4.70 -2.24 -1.26 -4.15 114.28 108.00 1dub n THR 176 Ca 0.00 -0.02 -0.11 0.00 -2.27 0.00 0.00 64.05 61.65 1dub n THR 176 Cb 0.37 0.73 -0.04 0.00 -2.10 0.00 0.00 70.33 69.29 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 -1.36 0.38 0.13 -0.78 1.13 -0.69 -4.16 117.38 112.02 1dub n GLN 177 Ca 0.05 0.16 -0.02 0.00 -1.94 0.00 0.00 57.00 55.25 1dub n GLN 177 Cb 0.34 -1.15 0.16 0.00 0.11 0.00 0.00 30.24 29.69 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 -0.69 0.04 0.23 -1.09 3.08 -0.85 -2.19 114.38 112.92 1dub h ARG 178 Ca -0.15 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1dub h ARG 178 Cb 0.92 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1dub h ARG 178 CO -0.09 0.65 -0.11 1.25 -1.07 0.00 0.00 179.97 180.60 1dub h LEU 179 N 0.03 -0.26 -0.63 3.04 5.85 -1.72 -2.24 115.31 119.38 1dub h LEU 179 Ca -0.01 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.60 1dub h LEU 179 Cb 1.11 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 1dub h LEU 179 CO 0.08 0.05 0.31 0.74 -0.34 0.00 0.00 178.44 179.29 1dub h THR 180 N -0.60 0.90 0.00 1.05 2.02 -1.72 0.17 112.91 114.73 1dub h THR 180 Ca -0.03 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1dub h THR 180 Cb 0.44 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1dub h THR 180 CO 0.05 0.10 -0.08 0.03 0.37 0.00 0.00 175.52 175.99 1dub h ARG 181 N 0.56 0.00 0.06 6.66 3.08 -1.31 -0.87 114.38 122.56 1dub h ARG 181 Ca 0.29 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.97 1dub h ARG 181 Cb 0.25 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1dub h ARG 181 CO -0.22 0.08 -2.24 0.00 -1.07 0.00 0.00 179.97 176.52 1dub n ALA 182 N -2.17 1.17 0.23 0.04 0.00 -0.41 -4.68 120.51 114.69 1dub n ALA 182 Ca -0.01 -0.86 0.11 0.00 0.00 0.00 0.00 53.44 52.68 1dub n ALA 182 Cb 0.29 -0.37 -0.16 0.00 0.00 0.00 0.00 19.45 19.21 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 -3.41 0.00 0.00 0.00 0.31 0.47 -4.49 118.33 111.22 1dub n VAL 183 Ca -0.40 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.56 1dub n VAL 183 Cb 1.01 0.25 0.00 0.00 -0.91 0.00 0.00 33.84 34.19 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 1.33 2.29 0.15 2.92 0.00 -0.34 -4.60 105.19 106.94 1dub n GLY 184 Ca -0.02 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 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 0.42 0.18 1.61 3.64 -1.95 -1.82 116.57 118.65 1dub h LYS 185 Ca 0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1dub h LYS 185 Cb 0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1dub h LYS 185 CO 0.00 0.45 -0.16 1.03 -2.27 0.00 0.00 179.45 178.50 1dub h SER 186 N 0.30 -0.43 -0.40 4.20 0.87 -1.97 0.16 113.55 116.27 1dub h SER 186 Ca 0.09 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.57 1dub h SER 186 Cb 0.19 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 1dub h SER 186 CO -0.01 -0.25 -0.18 0.25 -0.53 0.00 0.00 176.83 176.11 1dub h LEU 187 N -0.37 0.90 0.02 2.23 5.85 -1.81 -0.51 115.31 121.62 1dub h LEU 187 Ca -0.00 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1dub h LEU 187 Cb 0.34 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1dub h LEU 187 CO -0.03 1.06 -0.01 0.00 -0.34 0.00 0.00 178.44 179.12 1dub h ALA 188 N 1.01 -0.03 -0.79 1.25 0.00 -1.10 0.12 119.26 119.72 1dub h ALA 188 Ca 0.11 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1dub h ALA 188 Cb 0.72 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1dub h ALA 188 CO 0.06 -0.51 0.52 0.52 0.00 0.00 0.00 179.25 179.84 1dub h MET 189 N -0.05 1.03 -0.40 0.00 2.86 -0.55 0.06 114.93 117.88 1dub h MET 189 Ca -0.00 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1dub h MET 189 Cb 0.04 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 1dub h MET 189 CO 0.00 0.68 0.17 1.49 1.06 0.00 0.00 176.91 180.31 1dub h GLU 190 N 1.06 0.60 -0.38 1.72 4.81 -0.53 0.09 114.58 121.95 1dub h GLU 190 Ca 0.29 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1dub h GLU 190 Cb -0.11 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1dub h GLU 190 CO -0.07 0.56 -0.04 0.52 -0.73 0.00 0.00 179.01 179.25 1dub h MET 191 N 0.51 0.69 -0.12 1.92 2.86 -0.36 -2.10 114.93 118.33 1dub h MET 191 Ca 0.13 -0.24 -0.19 0.00 -2.06 0.00 0.00 59.70 57.34 1dub h MET 191 Cb 0.18 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1dub h MET 191 CO -0.01 0.82 -0.71 0.28 1.06 0.00 0.00 176.91 178.34 1dub h VAL 192 N 0.50 1.34 0.00 -2.22 2.07 -0.86 -0.43 116.25 116.65 1dub h VAL 192 Ca 0.10 -2.03 -0.09 0.00 0.82 0.00 0.00 66.70 65.50 1dub h VAL 192 Cb 0.53 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1dub h VAL 192 CO 0.03 0.62 -0.67 -0.07 0.02 0.00 0.00 177.57 177.50 1dub h LEU 193 N 0.38 0.00 0.00 2.57 3.38 -1.01 -3.38 115.31 117.26 1dub h LEU 193 Ca -0.03 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.70 1dub h LEU 193 Cb 1.30 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 1dub h LEU 193 CO 0.13 0.37 -1.90 0.35 0.09 0.00 0.00 178.44 177.49 1dub n THR 194 N -3.07 0.90 -0.55 0.22 -2.24 -0.79 -4.98 114.28 103.77 1dub n THR 194 Ca -0.00 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1dub n THR 194 Cb 0.70 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 2.20 0.73 3.77 3.38 0.00 -0.17 -4.84 105.19 110.27 1dub n GLY 195 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.15 6.01 0.18 1.61 1.01 -1.24 -4.31 116.67 117.78 1dub s ASP 196 Ca 0.00 2.36 -0.07 0.00 0.71 0.00 0.00 52.55 55.55 1dub s ASP 196 Cb 0.00 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.26 1dub s ASP 196 CO 0.00 -1.03 0.45 -0.13 0.21 0.00 0.00 175.17 174.67 1dub s ARG 197 N -2.77 3.70 0.19 8.23 0.52 -1.26 -4.47 118.95 123.09 1dub s ARG 197 Ca 0.65 0.07 0.10 0.00 -0.52 0.00 0.00 55.73 56.03 1dub s ARG 197 Cb -0.30 -2.76 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 1dub s ARG 197 CO 0.36 0.40 -0.15 0.96 0.02 0.00 0.00 175.30 176.89 1dub s ILE 198 N -1.74 2.87 0.88 1.52 -4.36 0.85 -4.95 121.20 116.28 1dub s ILE 198 Ca 0.44 -1.84 -0.13 0.00 -0.26 0.00 0.00 60.65 58.86 1dub s ILE 198 Cb -0.12 -2.42 0.14 0.00 1.25 0.00 0.00 42.46 41.32 1dub s ILE 198 CO 0.23 -0.14 1.23 -0.94 0.24 0.00 0.00 174.94 175.56 1dub s SER 199 N -2.85 3.78 0.18 4.36 1.04 -1.26 -1.10 113.70 117.85 1dub s SER 199 Ca 0.24 0.42 -0.14 0.00 0.48 0.00 0.00 55.95 56.95 1dub s SER 199 Cb -0.08 -0.67 0.07 0.00 0.10 0.00 0.00 66.02 65.44 1dub s SER 199 CO 0.14 -2.32 1.84 0.00 0.98 0.00 0.00 173.24 173.87 1dub h ALA 200 N -1.30 0.70 -0.36 5.32 0.00 -1.62 -0.52 119.26 121.48 1dub h ALA 200 Ca -0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1dub h ALA 200 Cb 1.27 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1dub h ALA 200 CO 0.49 0.15 0.20 1.96 0.00 0.00 0.00 179.25 182.05 1dub h GLN 201 N 0.75 0.51 -0.72 0.00 7.50 -1.88 0.65 115.11 121.92 1dub h GLN 201 Ca 0.20 -0.06 -0.04 0.00 0.50 0.00 0.00 58.65 59.26 1dub h GLN 201 Cb -0.08 -0.10 -0.03 0.00 0.05 0.00 0.00 27.48 27.32 1dub h GLN 201 CO -0.04 0.42 0.30 -0.44 -1.50 0.00 0.00 178.83 177.56 1dub h ASP 202 N 0.46 0.97 -0.62 1.46 3.32 -1.84 0.44 116.42 120.61 1dub h ASP 202 Ca 0.13 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1dub h ASP 202 Cb 0.06 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1dub h ASP 202 CO -0.02 0.86 0.25 0.00 -1.72 0.00 0.00 179.24 178.61 1dub h ALA 203 N 1.29 0.80 -0.04 3.45 0.00 -0.24 -0.71 119.26 123.81 1dub h ALA 203 Ca 0.24 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1dub h ALA 203 Cb 0.18 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1dub h ALA 203 CO -0.02 0.42 -0.69 -0.22 0.00 0.00 0.00 179.25 178.73 1dub h LYS 204 N 0.86 0.54 -0.55 0.00 3.64 -0.50 0.11 116.57 120.67 1dub h LYS 204 Ca 0.21 -0.53 0.07 0.00 -1.27 0.00 0.00 60.65 59.13 1dub h LYS 204 Cb 0.20 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1dub h LYS 204 CO -0.02 1.16 0.37 0.37 -2.27 0.00 0.00 179.45 179.06 1dub h GLN 205 N 0.11 0.43 0.00 1.90 4.15 -0.78 -1.17 115.11 119.76 1dub h GLN 205 Ca -0.08 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1dub h GLN 205 Cb 1.37 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1dub h GLN 205 CO 0.14 0.29 -0.27 0.00 -1.93 0.00 0.00 178.83 177.05 1dub n ALA 206 N -2.51 2.96 -0.52 3.38 0.00 -0.29 -4.93 120.51 118.60 1dub n ALA 206 Ca 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1dub n ALA 206 Cb 0.29 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 1.49 0.73 0.21 0.00 0.00 -0.44 -4.19 105.19 102.98 1dub n GLY 207 Ca 0.06 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.81 -8.70 0.99 5.85 -1.03 -3.45 115.31 109.79 1dub h LEU 208 Ca 0.00 -0.56 -0.60 0.00 0.84 0.00 0.00 57.88 57.56 1dub h LEU 208 Cb 0.00 -0.24 -0.23 0.00 0.37 0.00 0.00 40.66 40.56 1dub h LEU 208 CO 0.00 1.34 -0.84 0.68 -0.34 0.00 0.00 178.44 179.28 1dub s VAL 209 N -3.63 1.85 -1.51 1.05 -7.23 -1.16 -4.65 120.40 105.11 1dub s VAL 209 Ca -0.09 -1.49 0.20 0.00 -1.81 0.00 0.00 61.98 58.79 1dub s VAL 209 Cb 0.09 -1.64 -0.09 0.00 0.56 0.00 0.00 36.38 35.29 1dub s VAL 209 CO 0.89 0.07 0.95 -1.54 -0.31 0.00 0.00 175.10 175.16 1dub n SER 210 N 1.29 1.53 -3.65 4.85 3.41 -0.53 -4.25 113.62 116.27 1dub n SER 210 Ca -0.18 -1.27 -0.15 0.00 -0.26 0.00 0.00 58.87 57.01 1dub n SER 210 Cb 0.53 0.69 -0.08 0.00 -0.26 0.00 0.00 64.21 65.09 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 -2.54 0.78 -0.05 4.33 2.47 -1.25 -5.08 119.74 118.41 1dub s LYS 211 Ca 0.13 0.44 0.06 0.00 -1.56 0.00 0.00 55.97 55.04 1dub s LYS 211 Cb 0.16 0.37 -0.01 0.00 -1.46 0.00 0.00 37.83 36.89 1dub s LYS 211 CO 0.64 -0.17 -0.24 0.42 0.16 0.00 0.00 175.35 176.16 1dub s ILE 212 N -0.46 1.97 0.07 5.43 1.01 -1.26 -0.79 121.20 127.17 1dub s ILE 212 Ca -0.06 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.57 1dub s ILE 212 Cb -0.03 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1dub s ILE 212 CO 0.04 0.55 -0.06 -0.36 0.00 0.00 0.00 174.94 175.11 1dub s PHE 213 N -0.23 0.71 0.53 3.97 0.08 0.50 -4.93 117.98 118.60 1dub s PHE 213 Ca -0.01 -0.77 -0.21 0.00 0.12 0.00 0.00 56.93 56.06 1dub s PHE 213 Cb -0.13 -0.43 -0.07 0.00 -0.57 0.00 0.00 43.02 41.83 1dub s PHE 213 CO 0.03 -0.17 1.12 -2.30 -0.10 0.00 0.00 175.22 173.80 1dub n PRO 214 N 0.62 1.34 -0.28 0.24 -0.02 -1.26 -1.01 135.00 134.62 1dub n PRO 214 Ca -0.17 0.49 0.10 0.00 -2.02 0.00 0.00 63.50 61.90 1dub n PRO 214 Cb 0.58 -2.28 0.25 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.16 0.43 -0.16 -1.45 2.07 -1.93 -0.51 116.25 115.84 1dub h VAL 215 Ca -0.48 -0.09 -0.16 0.00 0.82 0.00 0.00 66.70 66.78 1dub h VAL 215 Cb 1.33 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1dub h VAL 215 CO 0.55 0.05 -0.57 -0.33 0.02 0.00 0.00 177.57 177.29 1dub h GLU 216 N 0.27 0.51 -0.02 1.57 3.07 -2.02 -3.25 114.58 114.71 1dub h GLU 216 Ca 0.50 -0.33 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1dub h GLU 216 Cb 0.94 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 1dub h GLU 216 CO -0.57 0.94 -0.26 0.25 -1.40 0.00 0.00 179.01 177.96 1dub n THR 217 N -3.94 0.00 0.03 1.13 -2.24 -0.83 -4.65 114.28 103.79 1dub n THR 217 Ca -0.03 -0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 61.29 1dub n THR 217 Cb 0.61 1.15 -0.08 0.00 -2.10 0.00 0.00 70.33 69.91 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 2.96 -1.53 -1.25 3.22 5.85 -1.15 -0.04 115.31 123.37 1dub h LEU 218 Ca 0.00 0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1dub h LEU 218 Cb 0.78 0.59 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 1dub h LEU 218 CO 0.00 -0.49 0.48 0.58 -0.34 0.00 0.00 178.44 178.68 1dub h VAL 219 N -0.60 1.19 -0.30 1.05 2.07 -1.82 -0.51 116.25 117.33 1dub h VAL 219 Ca 0.04 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1dub h VAL 219 Cb 0.69 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1dub h VAL 219 CO -0.38 0.19 0.16 -0.08 0.02 0.00 0.00 177.57 177.49 1dub h GLU 220 N 1.01 0.43 -0.55 1.57 4.81 -1.78 0.75 114.58 120.81 1dub h GLU 220 Ca 0.27 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1dub h GLU 220 Cb -0.10 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 1dub h GLU 220 CO -0.06 0.38 0.07 0.93 -0.73 0.00 0.00 179.01 179.60 1dub h GLU 221 N 0.37 0.90 -0.25 1.92 4.39 -0.31 -1.28 114.58 120.32 1dub h GLU 221 Ca 0.11 -0.22 -0.14 0.00 0.34 0.00 0.00 59.36 59.44 1dub h GLU 221 Cb 0.08 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1dub h GLU 221 CO -0.02 0.85 -0.41 0.00 -1.16 0.00 0.00 179.01 178.27 1dub h ALA 222 N 1.22 0.81 -0.36 3.43 0.00 -0.80 -2.08 119.26 121.49 1dub h ALA 222 Ca 0.17 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1dub h ALA 222 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1dub h ALA 222 CO 0.01 0.65 -0.13 0.82 0.00 0.00 0.00 179.25 180.60 1dub h ILE 223 N 0.49 1.25 -0.52 0.00 2.04 -0.30 -0.58 117.51 119.89 1dub h ILE 223 Ca 0.04 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 1dub h ILE 223 Cb 0.93 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1dub h ILE 223 CO 0.08 0.37 0.21 1.56 0.00 0.00 0.00 178.15 180.37 1dub h GLN 224 N 0.58 0.78 -0.46 2.37 4.20 -0.94 0.18 115.11 121.82 1dub h GLN 224 Ca 0.10 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1dub h GLN 224 Cb 0.56 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1dub h GLN 224 CO 0.04 0.69 0.31 0.00 -0.67 0.00 0.00 178.83 179.19 1dub h ALA 226 N 1.17 1.38 -0.20 0.00 0.00 -0.61 -2.37 119.26 118.62 1dub h ALA 226 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1dub h ALA 226 Cb -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1dub h ALA 226 CO -0.04 0.55 0.09 0.93 0.00 0.00 0.00 179.25 180.78 1dub h GLU 227 N 1.08 0.29 -0.49 0.00 5.08 -0.17 0.09 114.58 120.46 1dub h GLU 227 Ca 0.29 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.67 1dub h GLU 227 Cb -0.07 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.07 1dub h GLU 227 CO -0.06 0.34 0.17 0.87 -1.00 0.00 0.00 179.01 179.33 1dub h LYS 228 N 0.17 0.33 -0.43 2.33 1.57 -0.95 -1.84 116.57 117.77 1dub h LYS 228 Ca 0.07 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1dub h LYS 228 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1dub h LYS 228 CO -0.01 0.22 0.16 0.82 -0.57 0.00 0.00 179.45 180.08 1dub h ILE 229 N 0.34 1.20 0.00 1.86 2.04 -1.23 -2.52 117.51 119.20 1dub h ILE 229 Ca 0.23 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1dub h ILE 229 Cb 0.25 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1dub h ILE 229 CO -0.24 0.23 -0.04 0.00 0.00 0.00 0.00 178.15 178.10 1dub h ALA 230 N 1.01 1.11 0.00 1.87 0.00 -0.51 -2.07 119.26 120.66 1dub h ALA 230 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1dub h ALA 230 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1dub h ALA 230 CO -0.01 0.05 0.00 -0.91 0.00 0.00 0.00 179.25 178.38 1dub h ASN 231 N 0.00 0.00 -2.88 0.00 2.35 -0.89 -3.45 115.58 110.71 1dub h ASN 231 Ca -0.00 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.30 1dub h ASN 231 Cb 0.27 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.71 1dub h ASN 231 CO 0.01 0.00 0.08 0.20 -1.65 0.00 0.00 177.43 176.07 1dub s ASN 232 N -4.73 4.94 -0.10 5.81 0.01 -0.78 -4.86 114.94 115.23 1dub s ASN 232 Ca 0.08 0.09 -0.29 0.00 -0.71 0.00 0.00 52.86 52.02 1dub s ASN 232 Cb 0.10 -0.80 -0.05 0.00 0.41 0.00 0.00 41.25 40.92 1dub s ASN 232 CO 0.54 -1.43 1.71 -0.55 -1.51 0.00 0.00 177.10 175.86 1dub s SER 233 N -4.51 6.48 0.28 -1.22 0.15 -1.26 -4.88 113.70 108.74 1dub s SER 233 Ca 0.60 2.08 0.02 0.00 0.70 0.00 0.00 55.95 59.35 1dub s SER 233 Cb -0.10 -2.53 0.60 0.00 -1.71 0.00 0.00 66.02 62.28 1dub s SER 233 CO 0.42 -1.10 1.80 0.11 1.20 0.00 0.00 173.24 175.66 1dub h LYS 234 N 10.35 0.79 -0.59 5.44 1.57 -1.88 0.18 116.57 132.42 1dub h LYS 234 Ca -0.39 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.26 1dub h LYS 234 Cb 1.18 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1dub h LYS 234 CO 0.97 0.52 0.05 0.97 -0.57 0.00 0.00 179.45 181.39 1dub h ILE 235 N 0.82 1.26 -0.19 1.86 2.10 -1.90 -0.22 117.51 121.24 1dub h ILE 235 Ca 0.51 -1.07 -0.20 0.00 1.08 0.00 0.00 64.86 65.18 1dub h ILE 235 Cb 0.66 0.80 0.01 0.00 -1.09 0.00 0.00 36.82 37.19 1dub h ILE 235 CO -0.33 0.39 -0.64 0.40 -1.08 0.00 0.00 178.15 176.89 1dub h ILE 236 N 0.91 1.29 -0.68 2.19 1.08 -1.73 -2.15 117.51 118.41 1dub h ILE 236 Ca 0.17 -1.85 -0.02 0.00 -0.39 0.00 0.00 64.86 62.78 1dub h ILE 236 Cb 0.49 1.90 -0.03 0.00 -3.07 0.00 0.00 36.82 36.10 1dub h ILE 236 CO 0.02 0.59 0.36 0.58 -0.69 0.00 0.00 178.15 179.01 1dub h VAL 237 N 0.50 1.21 -0.36 1.67 2.07 -0.56 -0.54 116.25 120.25 1dub h VAL 237 Ca -0.03 -0.55 -0.11 0.00 0.82 0.00 0.00 66.70 66.84 1dub h VAL 237 Cb 1.27 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1dub h VAL 237 CO 0.14 0.24 -0.21 0.00 0.02 0.00 0.00 177.57 177.75 1dub h ALA 238 N 1.44 0.96 -0.35 1.67 0.00 -0.84 -1.57 119.26 120.56 1dub h ALA 238 Ca 0.24 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1dub h ALA 238 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1dub h ALA 238 CO -0.04 0.61 -0.21 0.52 0.00 0.00 0.00 179.25 180.13 1dub h MET 239 N 0.61 0.76 -0.40 0.00 2.07 -0.76 -2.30 114.93 114.90 1dub h MET 239 Ca 0.09 -0.35 -0.02 0.00 -2.07 0.00 0.00 59.70 57.35 1dub h MET 239 Cb 0.69 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.39 1dub h MET 239 CO 0.05 0.97 0.19 0.00 1.07 0.00 0.00 176.91 179.19 1dub h ALA 240 N 0.77 0.52 -0.81 6.32 0.00 -0.89 -0.62 119.26 124.55 1dub h ALA 240 Ca 0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1dub h ALA 240 Cb 0.77 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1dub h ALA 240 CO 0.06 0.08 0.34 -0.22 0.00 0.00 0.00 179.25 179.51 1dub h LYS 241 N 0.51 1.20 -0.17 0.00 3.64 -1.29 0.63 116.57 121.09 1dub h LYS 241 Ca 0.14 -0.21 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 1dub h LYS 241 Cb 0.12 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1dub h LYS 241 CO -0.02 0.96 -0.25 1.49 -2.27 0.00 0.00 179.45 179.36 1dub h GLU 242 N 1.17 0.32 0.04 1.90 4.81 -1.12 -1.27 114.58 120.43 1dub h GLU 242 Ca 0.27 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1dub h GLU 242 Cb 0.19 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1dub h GLU 242 CO -0.03 0.55 -0.02 1.03 -0.73 0.00 0.00 179.01 179.82 1dub h SER 243 N 0.28 -0.04 -0.73 1.04 0.87 -0.22 -2.48 113.55 112.27 1dub h SER 243 Ca 0.04 -0.53 0.05 0.00 -1.23 0.00 0.00 61.79 60.12 1dub h SER 243 Cb 0.61 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.52 1dub h SER 243 CO 0.04 0.53 0.44 0.58 -0.53 0.00 0.00 176.83 177.89 1dub h VAL 244 N -0.64 1.04 -0.51 2.23 2.07 -0.77 -1.64 116.25 118.03 1dub h VAL 244 Ca -0.01 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1dub h VAL 244 Cb 0.57 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1dub h VAL 244 CO 0.01 0.15 0.34 0.78 0.02 0.00 0.00 177.57 178.87 1dub h ASN 245 N 0.83 0.57 0.10 0.57 2.35 -1.21 -0.82 115.58 117.96 1dub h ASN 245 Ca 0.31 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1dub h ASN 245 Cb 0.12 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1dub h ASN 245 CO -0.15 0.41 0.00 0.00 -1.65 0.00 0.00 177.43 176.04 1dub h ALA 246 N 1.68 1.00 0.00 -0.83 0.00 -0.81 -2.14 119.26 118.16 1dub h ALA 246 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1dub h ALA 246 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1dub h ALA 246 CO -0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1dub n ALA 247 N -1.88 1.23 0.19 0.00 0.00 -0.31 -1.33 120.51 118.41 1dub n ALA 247 Ca -0.02 0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.62 1dub n ALA 247 Cb 0.07 -1.28 0.13 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.07 0.29 -0.18 0.00 3.72 -0.80 -4.57 117.46 113.85 1dub n PHE 248 Ca 0.00 -0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 1dub n PHE 248 Cb 0.09 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.81 -0.37 -3.99 -1.08 -0.58 -0.44 -5.07 120.64 109.92 1dub n GLU 249 Ca 0.12 -0.54 -0.09 0.00 -0.42 0.00 0.00 57.16 56.23 1dub n GLU 249 Cb 0.42 -0.91 -0.05 0.00 -0.57 0.00 0.00 31.44 30.33 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 -0.11 1.56 0.73 3.49 -1.94 -1.17 -5.09 119.30 116.77 1dub s MET 250 Ca 0.00 -1.24 -0.11 0.00 -1.71 0.00 0.00 55.69 52.63 1dub s MET 250 Cb 0.00 0.48 0.03 0.00 2.01 0.00 0.00 34.83 37.35 1dub s MET 250 CO 0.00 -0.65 1.07 0.95 -0.01 0.00 0.00 175.02 176.38 1dub s THR 251 N -4.00 3.73 0.31 2.05 -4.23 -1.26 -4.75 115.64 107.48 1dub s THR 251 Ca 0.22 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 1dub s THR 251 Cb -0.01 -3.26 0.28 0.00 1.34 0.00 0.00 72.50 70.84 1dub s THR 251 CO 0.09 -0.73 1.94 0.25 -0.54 0.00 0.00 174.62 175.63 1dub h LEU 252 N -0.86 0.89 -0.19 4.79 5.85 -1.97 0.57 115.31 124.39 1dub h LEU 252 Ca -0.44 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.30 1dub h LEU 252 Cb 1.23 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1dub h LEU 252 CO 0.56 0.60 0.00 0.74 -0.34 0.00 0.00 178.44 180.01 1dub h THR 253 N 1.02 0.87 -0.01 1.05 2.02 -1.99 -0.46 112.91 115.42 1dub h THR 253 Ca 0.35 -0.02 -0.15 0.00 0.77 0.00 0.00 66.41 67.36 1dub h THR 253 Cb 0.09 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1dub h THR 253 CO -0.11 0.01 -0.69 -0.33 0.37 0.00 0.00 175.52 174.77 1dub h GLU 254 N 0.07 0.04 -0.16 6.66 4.39 -1.81 -2.39 114.58 121.39 1dub h GLU 254 Ca 0.09 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1dub h GLU 254 Cb 0.11 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1dub h GLU 254 CO -0.15 0.71 0.04 0.78 -1.16 0.00 0.00 179.01 179.23 1dub h GLY 255 N 1.97 0.27 1.01 -3.84 0.00 -0.53 -0.86 103.07 101.09 1dub h GLY 255 Ca -0.01 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.16 1dub h GLY 255 CO 0.09 0.16 0.49 3.43 0.00 0.00 0.00 176.54 180.72 1dub h ASN 256 N 0.06 0.86 -0.65 0.19 2.35 -1.05 0.14 115.58 117.48 1dub h ASN 256 Ca 0.05 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1dub h ASN 256 Cb 0.26 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1dub h ASN 256 CO 0.00 0.63 0.17 0.11 -1.65 0.00 0.00 177.43 176.69 1dub h LYS 257 N 1.01 1.03 -0.26 0.81 1.57 -1.24 -0.54 116.57 118.96 1dub h LYS 257 Ca 0.27 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1dub h LYS 257 Cb -0.11 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1dub h LYS 257 CO -0.06 0.92 0.09 1.25 -0.57 0.00 0.00 179.45 181.09 1dub h LEU 258 N 0.96 0.37 -0.63 2.94 5.85 -0.63 -1.99 115.31 122.18 1dub h LEU 258 Ca 0.21 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1dub h LEU 258 Cb 0.34 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1dub h LEU 258 CO -0.00 0.45 0.32 -0.08 -0.34 0.00 0.00 178.44 178.79 1dub h GLU 259 N 0.26 0.56 -0.59 1.25 4.81 -0.50 -0.84 114.58 119.53 1dub h GLU 259 Ca 0.09 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1dub h GLU 259 Cb 0.21 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1dub h GLU 259 CO -0.01 0.37 0.21 -0.22 -0.73 0.00 0.00 179.01 178.64 1dub h LYS 260 N 0.58 0.87 -0.40 1.92 1.63 -0.83 0.45 116.57 120.79 1dub h LYS 260 Ca 0.29 -0.15 -0.11 0.00 -0.85 0.00 0.00 60.65 59.83 1dub h LYS 260 Cb 0.25 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1dub h LYS 260 CO -0.22 0.74 -0.22 0.87 -3.45 0.00 0.00 179.45 177.17 1dub h LYS 261 N 0.86 0.78 -0.33 1.90 1.57 -0.44 0.11 116.57 121.02 1dub h LYS 261 Ca 0.20 -0.31 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 1dub h LYS 261 Cb 0.21 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1dub h LYS 261 CO -0.01 0.93 -0.37 -0.07 -0.57 0.00 0.00 179.45 179.35 1dub h LEU 262 N 0.68 0.90 -0.25 2.94 3.38 -0.66 -1.78 115.31 120.52 1dub h LEU 262 Ca 0.10 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.62 1dub h LEU 262 Cb 0.73 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1dub h LEU 262 CO 0.06 1.20 0.04 0.15 0.09 0.00 0.00 178.44 179.97 1dub h PHE 263 N 0.62 0.06 -0.99 1.13 3.57 -0.62 -0.65 116.94 120.05 1dub h PHE 263 Ca 0.05 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1dub h PHE 263 Cb 0.96 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.66 1dub h PHE 263 CO 0.07 0.00 0.65 1.88 -2.23 0.00 0.00 178.31 178.68 1dub h TYR 264 N 0.13 1.21 -0.19 0.41 0.05 -0.70 -2.16 116.97 115.72 1dub h TYR 264 Ca 0.12 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.91 1dub h TYR 264 Cb 0.13 -0.40 -0.01 0.00 1.01 0.00 0.00 36.73 37.46 1dub h TYR 264 CO -0.17 0.69 0.04 0.77 -1.05 0.00 0.00 178.16 178.43 1dub h SER 265 N 1.24 0.24 0.11 3.88 0.02 -0.24 -1.93 113.55 116.87 1dub h SER 265 Ca 0.40 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 1dub h SER 265 Cb 0.03 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1dub h SER 265 CO -0.13 0.26 -0.05 0.71 -1.14 0.00 0.00 176.83 176.48 1dub h THR 266 N 0.26 0.66 0.00 -2.27 1.35 -0.60 0.23 112.91 112.54 1dub h THR 266 Ca 0.07 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1dub h THR 266 Cb 0.13 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1dub h THR 266 CO -0.00 0.05 0.00 0.49 -0.25 0.00 0.00 175.52 175.81 1dub n PHE 267 N -3.94 0.00 1.28 4.73 3.01 -0.72 -1.59 117.46 120.23 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 0.14 -0.34 0.35 0.00 -0.01 0.00 0.00 39.48 39.62 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 -1.34 2.90 -2.84 4.37 0.00 0.79 -4.93 120.51 119.46 1dub n ALA 268 Ca 0.08 -0.48 -0.23 0.00 0.00 0.00 0.00 53.44 52.81 1dub n ALA 268 Cb 0.17 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.27 4.55 0.20 0.00 -4.23 -0.62 -5.02 115.64 108.26 1dub s THR 269 Ca 0.29 -1.29 0.06 0.00 -1.18 0.00 0.00 61.69 59.57 1dub s THR 269 Cb 0.20 -3.44 -0.11 0.00 1.34 0.00 0.00 72.50 70.50 1dub s THR 269 CO 0.44 -0.30 1.46 0.44 -0.54 0.00 0.00 174.62 176.12 1dub h ASP 270 N 1.63 0.11 -0.04 3.99 3.32 -1.55 -3.26 116.42 120.63 1dub h ASP 270 Ca -0.49 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.42 1dub h ASP 270 Cb 1.23 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1dub h ASP 270 CO 0.61 0.84 -0.13 0.44 -1.72 0.00 0.00 179.24 179.29 1dub h ASP 271 N 0.05 0.33 -0.27 6.45 3.32 -0.88 -0.52 116.42 124.90 1dub h ASP 271 Ca -0.02 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 1dub h ASP 271 Cb 1.37 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1dub h ASP 271 CO 0.11 0.49 -0.15 -0.09 -1.72 0.00 0.00 179.24 177.87 1dub h ARG 272 N 0.32 0.58 -0.22 3.56 1.12 -1.73 0.31 114.38 118.32 1dub h ARG 272 Ca 0.06 -0.26 0.03 0.00 -1.11 0.00 0.00 59.98 58.70 1dub h ARG 272 Cb 0.42 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.34 1dub h ARG 272 CO 0.02 0.84 0.04 -0.09 -3.11 0.00 0.00 179.97 177.68 1dub h ARG 273 N 0.32 0.13 -0.11 0.20 9.65 -1.53 -1.86 114.38 121.18 1dub h ARG 273 Ca 0.06 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1dub h ARG 273 Cb 0.67 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.22 1dub h ARG 273 CO 0.04 0.09 0.06 1.49 2.80 0.00 0.00 179.97 184.45 1dub h GLU 274 N 0.13 0.16 -0.84 0.20 4.57 -0.95 -1.76 114.58 116.10 1dub h GLU 274 Ca 0.10 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.29 1dub h GLU 274 Cb 0.10 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.61 1dub h GLU 274 CO -0.13 0.20 0.54 0.78 -1.18 0.00 0.00 179.01 179.21 1dub h GLY 275 N 0.07 1.22 1.36 1.92 0.00 -0.19 0.31 103.07 107.77 1dub h GLY 275 Ca 0.04 -0.41 -0.28 0.00 0.00 0.00 0.00 47.33 46.67 1dub h GLY 275 CO -0.01 0.35 -1.21 -0.33 0.00 0.00 0.00 176.54 175.35 1dub h MET 276 N 1.05 0.53 -0.21 4.80 2.86 -1.31 -3.11 114.93 119.53 1dub h MET 276 Ca 0.33 -0.71 -0.10 0.00 -2.06 0.00 0.00 59.70 57.16 1dub h MET 276 Cb 0.01 0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1dub h MET 276 CO -0.11 1.31 -0.31 0.77 1.06 0.00 0.00 176.91 179.63 1dub h SER 277 N 0.23 0.42 -0.83 1.22 0.02 -1.17 -2.27 113.55 111.17 1dub h SER 277 Ca -0.16 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.60 1dub h SER 277 Cb 1.88 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 64.27 1dub h SER 277 CO 0.22 0.71 0.36 0.00 -1.14 0.00 0.00 176.83 176.99 1dub h ALA 278 N 1.32 1.08 0.11 3.77 0.00 -0.97 0.82 119.26 125.40 1dub h ALA 278 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1dub h ALA 278 Cb 0.72 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1dub h ALA 278 CO 0.06 0.67 -0.05 0.35 0.00 0.00 0.00 179.25 180.27 1dub h PHE 279 N 1.19 -0.14 -0.76 0.00 3.57 -1.39 0.86 116.94 120.27 1dub h PHE 279 Ca 0.28 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.73 1dub h PHE 279 Cb 0.17 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1dub h PHE 279 CO 0.02 0.02 0.29 0.28 -2.23 0.00 0.00 178.31 176.68 1dub h VAL 280 N -0.27 1.26 -0.22 1.41 2.07 -1.16 -2.79 116.25 116.55 1dub h VAL 280 Ca -0.02 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1dub h VAL 280 Cb 0.22 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1dub h VAL 280 CO 0.03 0.34 0.00 -0.62 0.02 0.00 0.00 177.57 177.33 1dub n GLU 281 N -4.30 1.50 -3.84 1.57 1.02 0.28 -4.92 120.64 111.96 1dub n GLU 281 Ca 0.06 -0.78 -0.26 0.00 -0.02 0.00 0.00 57.16 56.17 1dub n GLU 281 Cb 0.19 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 0.13 -3.16 -4.17 3.49 4.76 0.09 -4.97 118.16 114.33 1dub n LYS 282 Ca 0.07 0.46 -0.12 0.00 -2.87 0.00 0.00 58.31 55.85 1dub n LYS 282 Cb 0.18 -4.57 -0.09 0.00 -1.84 0.00 0.00 35.03 28.72 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 -6.30 1.33 -0.07 1.97 1.70 -0.05 -5.03 118.95 112.49 1dub s ARG 283 Ca 0.11 -1.62 -0.28 0.00 -0.47 0.00 0.00 55.73 53.47 1dub s ARG 283 Cb -0.04 0.31 -0.02 0.00 -0.57 0.00 0.00 34.95 34.63 1dub s ARG 283 CO 0.87 -0.47 0.91 0.21 -1.08 0.00 0.00 175.30 175.73 1dub s LYS 284 N -4.03 4.45 0.45 3.89 2.20 -1.26 -4.41 119.74 121.03 1dub s LYS 284 Ca 0.36 1.23 -0.23 0.00 -0.36 0.00 0.00 55.97 56.98 1dub s LYS 284 Cb 0.05 -3.50 -0.08 0.00 -1.51 0.00 0.00 37.83 32.79 1dub s LYS 284 CO 0.13 -0.15 1.12 0.00 -0.36 0.00 0.00 175.35 176.09 1dub s ALA 285 N 1.45 2.99 -0.33 3.13 0.00 -1.26 -4.98 121.76 122.76 1dub s ALA 285 Ca 0.46 0.84 0.03 0.00 0.00 0.00 0.00 51.96 53.28 1dub s ALA 285 Cb -0.19 -3.34 0.10 0.00 0.00 0.00 0.00 23.12 19.69 1dub s ALA 285 CO 0.20 -0.50 0.06 1.21 0.00 0.00 0.00 175.76 176.73 1dub s ASN 286 N -1.48 4.61 0.47 0.00 3.04 -1.26 -5.07 114.94 115.25 1dub s ASN 286 Ca 0.62 -2.04 -0.15 0.00 0.04 0.00 0.00 52.86 51.34 1dub s ASN 286 Cb -0.26 -1.47 -0.08 0.00 -1.54 0.00 0.00 41.25 37.91 1dub s ASN 286 CO 0.31 -0.38 0.91 -0.36 -3.04 0.00 0.00 177.10 174.53 1dub s PHE 287 N 1.05 3.45 -0.00 0.43 0.08 -1.26 -4.96 117.98 116.77 1dub s PHE 287 Ca 0.10 1.34 0.00 0.00 0.12 0.00 0.00 56.93 58.49 1dub s PHE 287 Cb -0.19 -2.68 0.01 0.00 -0.57 0.00 0.00 43.02 39.59 1dub s PHE 287 CO -0.11 -0.25 0.70 1.63 -0.10 0.00 0.00 175.22 177.09 1dub n LYS 288 N -1.38 1.03 -3.65 0.44 5.02 -1.26 -5.01 118.16 113.35 1dub n LYS 288 Ca 0.05 -0.90 -0.27 0.00 -2.02 0.00 0.00 58.31 55.17 1dub n LYS 288 Cb 0.54 -0.69 0.04 0.00 -0.02 0.00 0.00 35.03 34.90 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 -0.20 -5.44 0.00 4.39 8.00 -1.26 -5.03 116.55 117.01 1dub n ASP 289 Ca 0.00 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1dub n ASP 289 Cb 0.43 -4.33 0.00 0.00 -0.02 0.00 0.00 41.12 37.20 1dub n ASP 289 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38