#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 3.33 -0.16 -2.53 0.08 -1.26 -4.98 117.98 112.45 1dub s PHE 33 Ca 0.00 1.39 -0.20 0.00 0.12 0.00 0.00 56.93 58.25 1dub s PHE 33 Cb 0.00 -3.51 -0.23 0.00 -0.57 0.00 0.00 43.02 38.71 1dub s PHE 33 CO 0.00 -1.45 0.41 0.37 -0.10 0.00 0.00 175.22 174.45 1dub h GLN 34 N 4.74 0.10 0.00 0.44 4.15 -1.97 -3.41 115.11 119.15 1dub h GLN 34 Ca -0.46 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 58.80 1dub h GLN 34 Cb 1.22 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1dub h GLN 34 CO 0.73 1.08 -0.98 0.66 -1.93 0.00 0.00 178.83 178.38 1dub n TYR 35 N -4.22 0.00 -4.17 3.99 4.01 -1.26 -4.95 117.16 110.56 1dub n TYR 35 Ca -0.27 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.37 1dub n TYR 35 Cb 0.75 -0.04 -0.10 0.00 -0.31 0.00 0.00 39.34 39.64 1dub n TYR 35 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1dub s ILE 36 N -3.02 0.62 -0.18 -0.72 -4.36 -1.26 0.98 121.20 113.27 1dub s ILE 36 Ca 0.08 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.55 1dub s ILE 36 Cb 0.16 -1.73 0.03 0.00 1.25 0.00 0.00 42.46 42.17 1dub s ILE 36 CO 0.86 -0.83 -0.17 -0.63 0.24 0.00 0.00 174.94 174.41 1dub s ILE 37 N -3.67 1.90 0.09 8.37 1.01 0.80 -4.65 121.20 125.04 1dub s ILE 37 Ca 0.13 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1dub s ILE 37 Cb 0.06 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 1dub s ILE 37 CO -0.04 0.45 0.08 0.42 0.00 0.00 0.00 174.94 175.85 1dub s THR 38 N 1.34 4.51 -0.08 2.92 -4.23 -1.26 0.63 115.64 119.47 1dub s THR 38 Ca 0.03 -0.80 -0.23 0.00 -1.18 0.00 0.00 61.69 59.51 1dub s THR 38 Cb -0.14 -3.18 0.05 0.00 1.34 0.00 0.00 72.50 70.57 1dub s THR 38 CO -0.11 0.11 0.54 -0.70 -0.54 0.00 0.00 174.62 173.91 1dub s GLU 39 N -2.44 0.84 -0.26 3.99 2.12 0.52 -5.00 118.70 118.47 1dub s GLU 39 Ca 0.29 0.27 -0.09 0.00 0.36 0.00 0.00 54.97 55.81 1dub s GLU 39 Cb -0.12 0.39 -0.04 0.00 0.26 0.00 0.00 34.13 34.62 1dub s GLU 39 CO 0.22 -0.22 0.12 0.15 -0.54 0.00 0.00 175.26 174.99 1dub s LYS 40 N -0.82 3.81 0.12 4.30 1.02 -1.26 0.78 119.74 127.68 1dub s LYS 40 Ca -0.09 -0.40 0.01 0.00 0.02 0.00 0.00 55.97 55.51 1dub s LYS 40 Cb -0.03 -3.45 -0.00 0.00 -0.52 0.00 0.00 37.83 33.83 1dub s LYS 40 CO 0.06 -0.15 0.03 1.63 -0.92 0.00 0.00 175.35 176.00 1dub n LYS 41 N 4.86 1.08 -0.16 1.68 5.02 0.32 -4.88 118.16 126.09 1dub n LYS 41 Ca -0.15 -0.97 0.02 0.00 -2.02 0.00 0.00 58.31 55.18 1dub n LYS 41 Cb 0.52 0.45 -0.01 0.00 -0.02 0.00 0.00 35.03 35.97 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 2.03 -2.05 3.65 0.72 0.00 -1.26 -0.17 105.19 108.10 1dub n GLY 42 Ca -0.03 -1.45 -0.47 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.67 1.89 -2.08 1.61 4.81 -1.26 -0.34 118.16 120.12 1dub n LYS 43 Ca -0.00 0.68 -0.17 0.00 -0.87 0.00 0.00 58.31 57.94 1dub n LYS 43 Cb 0.07 -2.38 -0.03 0.00 0.02 0.00 0.00 35.03 32.71 1dub n LYS 43 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1dub n ASN 44 N 2.86 -4.88 -3.96 3.14 3.02 -1.26 -2.06 115.26 112.13 1dub n ASN 44 Ca 0.16 0.20 -0.27 0.00 -0.03 0.00 0.00 54.58 54.64 1dub n ASN 44 Cb 0.27 -4.19 -0.01 0.00 -0.61 0.00 0.00 39.78 35.24 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 -1.57 -1.56 0.10 6.41 7.64 0.54 -4.88 113.62 120.30 1dub n SER 45 Ca -0.19 -0.95 0.12 0.00 1.01 0.00 0.00 58.87 58.86 1dub n SER 45 Cb 0.62 -3.27 0.24 0.00 -1.01 0.00 0.00 64.21 60.80 1dub n SER 45 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1dub h SER 46 N -1.81 0.00 -3.22 6.43 4.64 -0.77 -3.42 113.55 115.39 1dub h SER 46 Ca -0.61 -0.10 -0.63 0.00 -0.47 0.00 0.00 61.79 59.98 1dub h SER 46 Cb 1.37 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.31 1dub h SER 46 CO 0.65 0.05 -0.56 -0.69 -0.87 0.00 0.00 176.83 175.40 1dub s VAL 47 N -3.16 4.79 -0.38 0.95 1.01 0.76 -0.71 120.40 123.65 1dub s VAL 47 Ca 0.07 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1dub s VAL 47 Cb 0.12 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.39 1dub s VAL 47 CO 0.68 0.49 0.24 -0.83 0.00 0.00 0.00 175.10 175.68 1dub s GLY 48 N 0.07 1.96 -0.27 4.51 0.00 -0.63 0.12 107.32 113.07 1dub s GLY 48 Ca 0.05 -1.71 -0.16 0.00 0.00 0.00 0.00 44.72 42.90 1dub s GLY 48 CO 0.01 0.87 0.44 -2.27 0.00 0.00 0.00 173.10 172.15 1dub s LEU 49 N 1.60 4.07 -0.16 0.66 2.96 0.23 -1.06 118.68 126.99 1dub s LEU 49 Ca 0.03 0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 54.28 1dub s LEU 49 Cb -0.19 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.95 1dub s LEU 49 CO 0.08 -0.25 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.14 1dub s ILE 50 N 2.20 3.26 -0.21 6.68 1.01 0.02 -0.35 121.20 133.80 1dub s ILE 50 Ca 0.18 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1dub s ILE 50 Cb -0.16 -2.41 0.04 0.00 0.01 0.00 0.00 42.46 39.94 1dub s ILE 50 CO 0.10 0.49 -0.15 -1.58 0.00 0.00 0.00 174.94 173.79 1dub s GLN 51 N 0.71 2.59 -0.09 2.79 0.74 0.21 -1.55 119.66 125.06 1dub s GLN 51 Ca -0.04 -1.03 -0.29 0.00 0.05 0.00 0.00 55.36 54.05 1dub s GLN 51 Cb -0.15 -2.67 -0.05 0.00 1.10 0.00 0.00 33.01 31.24 1dub s GLN 51 CO 0.02 -0.37 1.75 -0.51 -0.55 0.00 0.00 175.29 175.63 1dub s LEU 52 N 1.23 4.17 -0.66 3.68 1.43 0.62 -0.14 118.68 129.00 1dub s LEU 52 Ca -0.01 2.14 0.05 0.00 -1.03 0.00 0.00 54.13 55.28 1dub s LEU 52 Cb -0.16 -3.53 0.16 0.00 0.03 0.00 0.00 46.19 42.69 1dub s LEU 52 CO -0.09 -1.12 0.45 0.21 0.23 0.00 0.00 176.35 176.03 1dub s ASN 53 N 4.17 4.60 -0.40 2.29 2.47 0.28 -4.26 114.94 124.09 1dub s ASN 53 Ca 0.78 -3.69 0.10 0.00 0.42 0.00 0.00 52.86 50.47 1dub s ASN 53 Cb -0.33 -1.58 0.35 0.00 -1.45 0.00 0.00 41.25 38.24 1dub s ASN 53 CO 0.32 -0.11 0.97 -1.14 -3.72 0.00 0.00 177.10 173.43 1dub n ARG 54 N 2.19 1.03 -0.02 0.43 0.63 -1.25 -4.39 116.66 115.28 1dub n ARG 54 Ca 0.18 -2.62 0.14 0.00 -0.92 0.00 0.00 57.85 54.63 1dub n ARG 54 Cb 0.35 -1.21 0.58 0.00 0.45 0.00 0.00 32.46 32.62 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 2.89 0.23 0.00 -0.14 0.13 -1.92 0.16 132.00 133.35 1dub h PRO 55 Ca -0.04 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 1dub h PRO 55 Cb 1.08 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1dub h PRO 55 CO 0.29 0.15 -0.12 0.87 -0.23 0.00 0.00 178.00 178.96 1dub h LYS 56 N 0.23 0.00 -0.27 0.86 6.56 -2.02 0.42 116.57 122.36 1dub h LYS 56 Ca 0.24 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.79 1dub h LYS 56 Cb 0.62 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.26 1dub h LYS 56 CO -0.05 0.12 -0.00 0.00 -2.06 0.00 0.00 179.45 177.46 1dub n ALA 57 N -2.32 3.19 -3.44 3.86 0.00 -0.52 -4.94 120.51 116.34 1dub n ALA 57 Ca -0.02 -2.48 -0.24 0.00 0.00 0.00 0.00 53.44 50.69 1dub n ALA 57 Cb 0.23 -0.70 -0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.69 -1.60 -1.96 0.00 4.77 0.14 -0.78 117.00 116.87 1dub n LEU 58 Ca 0.23 -0.45 -0.18 0.00 -0.03 0.00 0.00 56.01 55.59 1dub n LEU 58 Cb 0.91 -2.14 -0.02 0.00 -2.33 0.00 0.00 43.42 39.84 1dub n LEU 58 CO 0.15 0.18 -0.22 0.59 -1.33 0.00 0.00 177.39 176.76 1dub n ASN 59 N -2.33 -5.28 -4.72 -1.43 3.02 0.45 -1.81 115.26 103.17 1dub n ASN 59 Ca -0.01 0.06 -0.43 0.00 -0.03 0.00 0.00 54.58 54.18 1dub n ASN 59 Cb 0.54 -4.35 -0.03 0.00 -0.61 0.00 0.00 39.78 35.33 1dub n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dub n ALA 60 N -1.34 2.56 -1.86 5.41 0.00 0.04 -4.23 120.51 121.08 1dub n ALA 60 Ca -0.21 0.40 -0.30 0.00 0.00 0.00 0.00 53.44 53.34 1dub n ALA 60 Cb 0.65 -2.49 -0.07 0.00 0.00 0.00 0.00 19.45 17.55 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 3.54 3.03 -4.89 0.00 4.77 0.21 -4.70 117.00 118.97 1dub n LEU 61 Ca 0.15 -3.04 -0.30 0.00 -0.03 0.00 0.00 56.01 52.79 1dub n LEU 61 Cb 0.34 -1.62 0.04 0.00 -2.33 0.00 0.00 43.42 39.85 1dub n LEU 61 CO 0.64 -1.77 0.72 0.00 -1.33 0.00 0.00 177.39 175.64 1dub h ASN 63 N -0.55 0.71 -0.41 0.00 2.35 -1.97 -1.25 115.58 114.46 1dub h ASN 63 Ca -0.45 0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.28 1dub h ASN 63 Cb 1.25 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.59 1dub h ASN 63 CO 0.63 0.21 -0.25 1.23 -1.65 0.00 0.00 177.43 177.60 1dub h GLY 64 N 0.67 0.96 0.93 2.83 0.00 -1.99 -0.87 103.07 105.59 1dub h GLY 64 Ca 0.59 -0.90 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1dub h GLY 64 CO -0.39 0.81 0.08 -2.00 0.00 0.00 0.00 176.54 175.04 1dub h LEU 65 N 0.70 0.19 -1.21 3.11 7.12 -1.67 -2.17 115.31 121.38 1dub h LEU 65 Ca 0.08 -0.10 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 1dub h LEU 65 Cb 0.82 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.87 1dub h LEU 65 CO 0.07 0.23 0.39 0.40 -0.13 0.00 0.00 178.44 179.40 1dub h ILE 66 N 0.13 1.20 -0.32 4.05 1.08 -1.15 0.77 117.51 123.28 1dub h ILE 66 Ca 0.05 -0.48 -0.11 0.00 -0.39 0.00 0.00 64.86 63.93 1dub h ILE 66 Cb 0.09 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.09 1dub h ILE 66 CO -0.01 0.22 -0.27 -0.08 -0.69 0.00 0.00 178.15 177.31 1dub h GLU 67 N 0.94 0.65 -0.02 2.37 4.81 -0.97 -0.85 114.58 121.51 1dub h GLU 67 Ca 0.24 -0.27 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 1dub h GLU 67 Cb -0.00 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.36 1dub h GLU 67 CO -0.04 0.85 -0.41 0.93 -0.73 0.00 0.00 179.01 179.61 1dub h GLU 68 N 0.56 0.32 -0.49 1.92 5.08 -0.86 -2.53 114.58 118.58 1dub h GLU 68 Ca 0.07 -0.31 0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1dub h GLU 68 Cb 0.76 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.01 1dub h GLU 68 CO 0.06 0.99 0.00 1.25 -1.00 0.00 0.00 179.01 180.31 1dub h LEU 69 N -0.24 -0.20 -1.55 1.33 5.85 -0.73 0.18 115.31 119.96 1dub h LEU 69 Ca -0.04 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1dub h LEU 69 Cb 1.12 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 1dub h LEU 69 CO 0.08 -0.07 0.04 0.78 -0.34 0.00 0.00 178.44 178.93 1dub h ASN 70 N 0.12 0.30 -0.15 1.25 2.35 -1.17 0.11 115.58 118.39 1dub h ASN 70 Ca 0.25 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 1dub h ASN 70 Cb 0.37 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 1dub h ASN 70 CO -0.41 0.33 -0.10 1.56 -1.65 0.00 0.00 177.43 177.16 1dub h GLN 71 N 0.33 0.33 -0.84 0.81 4.20 -0.32 -1.51 115.11 118.12 1dub h GLN 71 Ca 0.08 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1dub h GLN 71 Cb 0.16 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1dub h GLN 71 CO -0.00 0.68 0.40 0.00 -0.67 0.00 0.00 178.83 179.24 1dub h ALA 72 N 0.65 1.14 -0.14 3.87 0.00 -0.14 -1.00 119.26 123.63 1dub h ALA 72 Ca 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1dub h ALA 72 Cb 0.59 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1dub h ALA 72 CO 0.03 0.65 0.03 -0.07 0.00 0.00 0.00 179.25 179.90 1dub h LEU 73 N 1.19 0.22 -1.37 0.00 3.38 -0.90 -1.53 115.31 116.30 1dub h LEU 73 Ca 0.29 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1dub h LEU 73 Cb 0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1dub h LEU 73 CO -0.04 0.39 -0.01 -0.08 0.09 0.00 0.00 178.44 178.79 1dub h GLU 74 N 0.03 0.40 0.21 1.13 4.57 -1.00 0.82 114.58 120.74 1dub h GLU 74 Ca 0.04 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1dub h GLU 74 Cb 0.26 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1dub h GLU 74 CO 0.00 0.44 -0.10 1.15 -1.18 0.00 0.00 179.01 179.32 1dub h THR 75 N 0.39 0.88 -0.12 0.32 2.02 -0.84 -0.88 112.91 114.67 1dub h THR 75 Ca 0.09 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1dub h THR 75 Cb 0.28 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1dub h THR 75 CO 0.01 0.16 0.02 -0.26 0.37 0.00 0.00 175.52 175.82 1dub h PHE 76 N -0.67 0.16 -0.72 3.16 0.04 -1.08 -0.24 116.94 117.59 1dub h PHE 76 Ca -0.03 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 1dub h PHE 76 Cb 0.48 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.54 1dub h PHE 76 CO 0.04 0.16 0.28 1.49 -0.60 0.00 0.00 178.31 179.68 1dub h GLU 77 N 0.17 1.09 -0.01 1.51 4.57 -0.55 -2.41 114.58 118.95 1dub h GLU 77 Ca 0.04 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1dub h GLU 77 Cb 0.08 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1dub h GLU 77 CO -0.00 0.90 -0.15 0.39 -1.18 0.00 0.00 179.01 178.97 1dub n GLU 78 N -4.34 0.85 -2.99 1.92 1.02 -0.25 -4.77 120.64 112.07 1dub n GLU 78 Ca 0.06 -0.39 -0.43 0.00 -0.02 0.00 0.00 57.16 56.38 1dub n GLU 78 Cb 0.19 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 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 -2.42 6.44 0.62 1.62 -1.08 -0.32 -4.90 116.67 116.61 1dub s ASP 79 Ca 0.29 0.01 0.41 0.00 -0.52 0.00 0.00 52.55 52.74 1dub s ASP 79 Cb 0.20 -2.37 2.17 0.00 -1.46 0.00 0.00 42.92 41.46 1dub s ASP 79 CO 0.47 -0.82 2.26 1.55 0.52 0.00 0.00 175.17 179.15 1dub h PRO 80 N 8.79 0.00 0.00 4.34 0.13 -1.86 -0.14 132.00 143.25 1dub h PRO 80 Ca -0.25 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 1dub h PRO 80 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1dub h PRO 80 CO 0.93 0.00 -0.22 0.00 -0.23 0.00 0.00 178.00 178.47 1dub h ALA 81 N 2.00 0.86 -2.94 -0.56 0.00 -1.92 -3.45 119.26 113.25 1dub h ALA 81 Ca 0.00 -0.19 -0.60 0.00 0.00 0.00 0.00 54.91 54.11 1dub h ALA 81 Cb 0.08 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 1dub h ALA 81 CO 0.00 0.26 -0.31 0.08 0.00 0.00 0.00 179.25 179.28 1dub s VAL 82 N -3.11 5.27 -0.08 0.00 1.01 -0.07 -4.18 120.40 119.24 1dub s VAL 82 Ca 0.06 0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.65 1dub s VAL 82 Cb 0.06 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1dub s VAL 82 CO 0.70 0.46 0.11 0.61 0.00 0.00 0.00 175.10 176.98 1dub n GLY 83 N 2.86 0.25 3.36 4.51 0.00 0.11 -4.87 105.19 111.40 1dub n GLY 83 Ca -0.13 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.79 -1.18 0.01 4.61 0.00 -1.24 -4.14 121.76 118.02 1dub s ALA 84 Ca -0.00 0.83 0.07 0.00 0.00 0.00 0.00 51.96 52.86 1dub s ALA 84 Cb 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1dub s ALA 84 CO 0.15 -0.29 -0.21 0.42 0.00 0.00 0.00 175.76 175.83 1dub s ILE 85 N -1.02 2.54 -0.16 0.00 1.01 -0.04 -1.61 121.20 121.92 1dub s ILE 85 Ca -0.10 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.46 1dub s ILE 85 Cb -0.03 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.46 1dub s ILE 85 CO 0.06 0.46 -0.21 -0.69 0.00 0.00 0.00 174.94 174.56 1dub s VAL 86 N -0.78 2.11 -0.15 2.92 1.01 -0.22 -0.12 120.40 125.17 1dub s VAL 86 Ca 0.12 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 1dub s VAL 86 Cb -0.10 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1dub s VAL 86 CO 0.02 0.54 -0.06 -0.22 0.00 0.00 0.00 175.10 175.39 1dub s LEU 87 N 0.99 3.14 0.26 3.92 2.96 0.50 -0.80 118.68 129.66 1dub s LEU 87 Ca -0.03 -0.17 -0.08 0.00 -0.22 0.00 0.00 54.13 53.63 1dub s LEU 87 Cb -0.15 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 1dub s LEU 87 CO -0.06 0.17 0.41 0.28 -1.32 0.00 0.00 176.35 175.83 1dub s THR 88 N 0.37 0.00 0.00 3.68 -1.32 -0.59 -0.51 115.64 117.27 1dub s THR 88 Ca -0.05 -1.57 0.00 0.00 -1.21 0.00 0.00 61.69 58.86 1dub s THR 88 Cb -0.15 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 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 -0.40 3.37 4.01 6.08 0.00 -1.26 -0.28 105.19 116.71 1dub n GLY 89 Ca -0.00 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 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 1.88 0.33 -0.02 0.00 0.13 -4.65 107.32 105.00 1dub s GLY 90 Ca 0.00 -1.93 0.05 0.00 0.00 0.00 0.00 44.72 42.84 1dub s GLY 90 CO 0.00 -1.77 1.84 -2.09 0.00 0.00 0.00 173.10 171.07 1dub h GLU 91 N 0.28 0.42 0.01 2.90 4.81 -1.98 -3.15 114.58 117.86 1dub h GLU 91 Ca -0.31 -0.11 -0.28 0.00 -0.13 0.00 0.00 59.36 58.53 1dub h GLU 91 Cb 1.29 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.58 1dub h GLU 91 CO 0.45 0.55 -1.61 -0.22 -0.73 0.00 0.00 179.01 177.44 1dub h LYS 92 N 0.39 0.02 -2.66 1.92 3.64 -1.96 -3.22 116.57 114.70 1dub h LYS 92 Ca 0.07 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 1dub h LYS 92 Cb 0.46 0.01 -0.26 0.00 -0.41 0.00 0.00 32.23 32.03 1dub h LYS 92 CO 0.03 0.62 -0.28 0.00 -2.27 0.00 0.00 179.45 177.55 1dub s ALA 93 N -2.61 -1.05 -0.08 5.00 0.00 -1.19 -1.43 121.76 120.40 1dub s ALA 93 Ca -0.05 1.44 -0.22 0.00 0.00 0.00 0.00 51.96 53.14 1dub s ALA 93 Cb 0.08 -0.87 -0.18 0.00 0.00 0.00 0.00 23.12 22.16 1dub s ALA 93 CO 0.82 -0.25 0.80 0.35 0.00 0.00 0.00 175.76 177.49 1dub h PHE 94 N 6.69 -0.10 -0.64 0.00 3.57 0.11 0.40 116.94 126.97 1dub h PHE 94 Ca -0.34 -0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.37 1dub h PHE 94 Cb 1.18 0.03 -0.27 0.00 2.79 0.00 0.00 35.95 39.68 1dub h PHE 94 CO 0.28 0.46 0.45 0.00 -2.23 0.00 0.00 178.31 177.27 1dub s ALA 95 N -3.24 -2.94 -2.00 2.41 0.00 -0.69 -4.29 121.76 111.00 1dub s ALA 95 Ca -0.14 1.93 0.12 0.00 0.00 0.00 0.00 51.96 53.88 1dub s ALA 95 Cb -0.00 -2.13 0.71 0.00 0.00 0.00 0.00 23.12 21.69 1dub s ALA 95 CO 0.51 -0.83 1.46 0.00 0.00 0.00 0.00 175.76 176.89 1dub n ALA 96 N 4.44 2.57 0.00 0.00 0.00 -0.75 -1.56 120.51 125.21 1dub n ALA 96 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1dub n ALA 96 Cb 0.55 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.69 0.92 3.62 0.00 0.00 -0.73 -4.56 105.19 105.14 1dub n GLY 97 Ca 0.09 -2.32 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.02 0.90 -0.53 4.61 0.00 -1.26 0.66 121.76 125.11 1dub s ALA 98 Ca 0.00 0.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.98 1dub s ALA 98 Cb 0.00 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.80 1dub s ALA 98 CO 0.00 -3.01 1.06 0.34 0.00 0.00 0.00 175.76 174.15 1dub s ASP 99 N -2.74 6.46 0.28 0.00 2.15 -1.22 -4.47 116.67 117.13 1dub s ASP 99 Ca 0.67 0.05 -0.03 0.00 0.43 0.00 0.00 52.55 53.67 1dub s ASP 99 Cb -0.23 -2.50 0.39 0.00 -0.30 0.00 0.00 42.92 40.29 1dub s ASP 99 CO 0.60 -1.28 1.92 0.40 -0.17 0.00 0.00 175.17 176.64 1dub h ILE 100 N 6.12 1.22 -0.11 4.11 2.04 -1.95 -1.88 117.51 127.06 1dub h ILE 100 Ca -0.25 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1dub h ILE 100 Cb 1.07 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1dub h ILE 100 CO 1.12 0.24 -0.09 0.11 0.00 0.00 0.00 178.15 179.53 1dub h LYS 101 N 1.10 0.16 0.00 2.37 1.57 -2.00 0.13 116.57 119.89 1dub h LYS 101 Ca 0.28 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1dub h LYS 101 Cb -0.03 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1dub h LYS 101 CO -0.05 0.26 0.00 0.93 -0.57 0.00 0.00 179.45 180.01 1dub h GLU 102 N 0.15 0.00 0.05 3.15 5.08 -1.76 -3.26 114.58 118.00 1dub h GLU 102 Ca 0.03 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.07 1dub h GLU 102 Cb 0.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1dub h GLU 102 CO 0.01 0.00 -1.83 -1.33 -1.00 0.00 0.00 179.01 174.86 1dub n MET 103 N -3.04 0.68 -0.24 2.33 2.81 -0.39 -4.64 117.12 114.62 1dub n MET 103 Ca 0.04 0.28 0.11 0.00 -1.81 0.00 0.00 57.70 56.32 1dub n MET 103 Cb 0.49 -1.76 0.22 0.00 -0.71 0.00 0.00 33.22 31.46 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 -3.21 -0.05 -0.83 0.03 7.27 0.31 -1.08 117.38 119.82 1dub n GLN 104 Ca -0.23 1.05 -0.03 0.00 0.07 0.00 0.00 57.00 57.85 1dub n GLN 104 Cb 1.05 -1.68 0.25 0.00 2.41 0.00 0.00 30.24 32.27 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 -4.93 3.75 -4.81 1.69 3.02 -1.26 -4.97 115.26 107.75 1dub n ASN 105 Ca 0.17 -3.38 -0.36 0.00 -0.03 0.00 0.00 54.58 50.99 1dub n ASN 105 Cb 0.57 -0.67 -0.06 0.00 -0.61 0.00 0.00 39.78 39.01 1dub n ASN 105 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1dub s ARG 106 N -3.06 4.31 0.49 3.52 6.06 -0.24 -5.09 118.95 124.94 1dub s ARG 106 Ca 0.49 0.98 0.06 0.00 -2.50 0.00 0.00 55.73 54.75 1dub s ARG 106 Cb 0.41 -2.78 0.00 0.00 0.06 0.00 0.00 34.95 32.64 1dub s ARG 106 CO 0.08 0.32 0.31 0.95 -2.50 0.00 0.00 175.30 174.46 1dub s THR 107 N -1.63 1.95 0.26 4.11 -4.23 -1.26 -5.00 115.64 109.84 1dub s THR 107 Ca 0.47 -1.56 -0.02 0.00 -1.18 0.00 0.00 61.69 59.40 1dub s THR 107 Cb -0.16 -2.51 0.10 0.00 1.34 0.00 0.00 72.50 71.27 1dub s THR 107 CO 0.21 0.00 1.74 0.15 -0.54 0.00 0.00 174.62 176.18 1dub h PHE 108 N 1.02 0.83 -0.21 3.99 3.57 -1.99 -0.97 116.94 123.18 1dub h PHE 108 Ca -0.40 -0.13 -0.10 0.00 3.53 0.00 0.00 57.97 60.88 1dub h PHE 108 Cb 1.28 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1dub h PHE 108 CO 0.85 0.79 -0.30 1.96 -2.23 0.00 0.00 178.31 179.39 1dub h GLN 109 N 0.71 0.41 -0.07 1.11 7.50 -1.98 -1.05 115.11 121.74 1dub h GLN 109 Ca 0.13 -0.16 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 1dub h GLN 109 Cb 0.50 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 28.01 1dub h GLN 109 CO 0.03 0.67 0.01 -0.44 -1.50 0.00 0.00 178.83 177.60 1dub h ASP 110 N 0.36 0.11 -0.42 1.46 3.32 -1.76 -0.06 116.42 119.42 1dub h ASP 110 Ca 0.05 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 56.84 1dub h ASP 110 Cb 0.71 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 1dub h ASP 110 CO 0.05 0.36 0.24 0.00 -1.72 0.00 0.00 179.24 178.17 1dub h TYR 112 N 0.49 -0.45 -0.16 0.00 3.20 -1.16 -2.07 116.97 116.82 1dub h TYR 112 Ca 0.17 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1dub h TYR 112 Cb 0.02 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1dub h TYR 112 CO -0.08 -0.28 -0.02 0.77 -1.64 0.00 0.00 178.16 176.91 1dub h SER 113 N -1.07 0.22 -0.24 -2.11 0.02 -1.03 -2.47 113.55 106.86 1dub h SER 113 Ca -0.05 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1dub h SER 113 Cb 0.37 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1dub h SER 113 CO 0.08 0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.66 1dub n GLY 114 N -1.15 0.30 4.03 -3.77 0.00 0.13 -4.93 105.19 99.80 1dub n GLY 114 Ca -0.01 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 0.30 -2.47 -1.66 1.61 5.02 -0.93 -4.81 118.16 115.22 1dub n LYS 115 Ca 0.13 0.32 -0.47 0.00 -2.02 0.00 0.00 58.31 56.26 1dub n LYS 115 Cb 0.28 -4.19 -0.05 0.00 -0.02 0.00 0.00 35.03 31.05 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 -4.46 2.20 -1.06 2.13 7.35 -0.80 -1.95 117.46 120.87 1dub n PHE 116 Ca -0.29 0.26 -0.02 0.00 -0.76 0.00 0.00 57.45 56.64 1dub n PHE 116 Cb 0.68 -2.54 -0.01 0.00 0.35 0.00 0.00 39.48 37.96 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 3.96 0.13 0.23 -2.13 4.77 -1.26 -4.91 117.00 117.78 1dub n LEU 117 Ca 0.18 0.05 0.15 0.00 -0.03 0.00 0.00 56.01 56.37 1dub n LEU 117 Cb 0.27 -1.27 0.57 0.00 -2.33 0.00 0.00 43.42 40.66 1dub n LEU 117 CO 0.65 -0.38 0.94 0.77 -1.33 0.00 0.00 177.39 178.05 1dub h SER 118 N 0.00 0.00 0.21 -1.43 4.64 -1.75 -2.32 113.55 112.90 1dub h SER 118 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1dub h SER 118 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1dub h SER 118 CO 0.06 0.00 -0.18 1.41 -0.87 0.00 0.00 176.83 177.25 1dub n HIS 119 N -2.87 0.00 -0.20 4.77 8.25 -1.26 -4.08 115.22 119.83 1dub n HIS 119 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 1dub n HIS 119 Cb 0.32 -0.11 0.02 0.00 1.12 0.00 0.00 29.99 31.34 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 1.27 1.14 -0.82 4.41 4.06 -1.81 -3.11 115.95 121.09 1dub h TRP 120 Ca 0.00 -0.21 -0.48 0.00 2.06 0.00 0.00 58.89 60.26 1dub h TRP 120 Cb 0.47 -0.29 -0.25 0.00 -1.00 0.00 0.00 29.16 28.09 1dub h TRP 120 CO 0.00 1.03 0.61 -0.40 -3.56 0.00 0.00 178.44 176.12 1dub n ASP 121 N -4.19 5.11 0.13 -3.49 5.75 -1.26 -4.34 116.55 114.25 1dub n ASP 121 Ca 0.02 -3.40 -0.01 0.00 -0.01 0.00 0.00 54.79 51.39 1dub n ASP 121 Cb 0.37 -0.87 0.24 0.00 -1.03 0.00 0.00 41.12 39.82 1dub n ASP 121 CO 0.00 0.00 0.00 -0.74 -0.11 0.00 0.00 177.20 176.35 1dub h HIS 122 N 1.22 0.15 -0.48 2.11 2.76 -1.80 -2.66 115.15 116.45 1dub h HIS 122 Ca 0.51 -0.04 0.14 0.00 -2.20 0.00 0.00 60.37 58.78 1dub h HIS 122 Cb 1.85 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 30.75 1dub h HIS 122 CO 1.27 0.57 0.35 0.97 -1.30 0.00 0.00 177.93 179.78 1dub h ILE 123 N 0.10 0.76 0.00 6.26 2.10 -1.86 0.23 117.51 125.10 1dub h ILE 123 Ca 0.01 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1dub h ILE 123 Cb 0.86 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 37.35 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 -4.39 0.46 1.02 2.19 -2.24 -1.00 -2.27 114.28 108.05 1dub n THR 124 Ca 0.09 0.11 0.11 0.00 -2.27 0.00 0.00 64.05 62.09 1dub n THR 124 Cb 0.56 -0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.31 0.68 -2.43 -0.78 1.74 0.81 -4.91 116.66 110.45 1dub n ARG 125 Ca 0.08 -0.55 -0.42 0.00 -0.77 0.00 0.00 57.85 56.20 1dub n ARG 125 Cb 0.16 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 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 -2.70 4.10 0.09 0.55 -1.09 -0.96 -4.94 121.20 116.24 1dub s ILE 126 Ca 0.15 1.49 -0.06 0.00 -2.23 0.00 0.00 60.65 60.00 1dub s ILE 126 Cb 0.17 -3.96 -0.26 0.00 -1.58 0.00 0.00 42.46 36.83 1dub s ILE 126 CO 0.68 0.10 1.17 0.11 -1.23 0.00 0.00 174.94 175.77 1dub h LYS 127 N 6.93 0.35 -7.03 2.79 1.79 -1.91 -3.45 116.57 116.04 1dub h LYS 127 Ca -0.40 -0.52 -0.49 0.00 -2.18 0.00 0.00 60.65 57.05 1dub h LYS 127 Cb 1.21 0.18 0.04 0.00 -1.58 0.00 0.00 32.23 32.08 1dub h LYS 127 CO 0.82 1.22 0.42 0.15 -1.08 0.00 0.00 179.45 180.98 1dub s LYS 128 N -2.84 3.79 0.42 3.15 1.02 -1.26 -4.57 119.74 119.45 1dub s LYS 128 Ca -0.05 1.55 -0.25 0.00 0.02 0.00 0.00 55.97 57.23 1dub s LYS 128 Cb 0.07 -2.26 -0.08 0.00 -0.52 0.00 0.00 37.83 35.04 1dub s LYS 128 CO 0.89 -0.47 1.32 -2.14 -0.92 0.00 0.00 175.35 174.03 1dub s PRO 129 N -2.93 3.87 -0.09 -1.68 0.02 -1.26 -4.86 135.00 128.07 1dub s PRO 129 Ca 0.65 2.18 0.04 0.00 0.02 0.00 0.00 61.00 63.89 1dub s PRO 129 Cb -0.22 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.61 1dub s PRO 129 CO 0.27 -0.59 -0.21 0.08 -0.33 0.00 0.00 177.00 176.22 1dub s VAL 130 N -1.27 1.82 -0.11 3.83 1.01 -1.26 -0.86 120.40 123.56 1dub s VAL 130 Ca 0.59 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1dub s VAL 130 Cb -0.39 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1dub s VAL 130 CO 0.49 0.51 -0.16 -0.63 0.00 0.00 0.00 175.10 175.31 1dub s ILE 131 N 0.35 2.82 -0.23 2.22 1.01 0.83 -1.44 121.20 126.75 1dub s ILE 131 Ca -0.16 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 59.61 1dub s ILE 131 Cb -0.17 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 1dub s ILE 131 CO 0.07 0.54 0.23 0.00 0.00 0.00 0.00 174.94 175.79 1dub s ALA 132 N 0.17 3.59 -0.72 9.38 0.00 0.42 -0.37 121.76 134.24 1dub s ALA 132 Ca -0.09 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 1dub s ALA 132 Cb -0.15 -2.43 0.19 0.00 0.00 0.00 0.00 23.12 20.72 1dub s ALA 132 CO 0.05 -0.25 0.61 0.00 0.00 0.00 0.00 175.76 176.18 1dub s ALA 133 N 1.19 3.84 -0.42 0.00 0.00 0.33 -0.27 121.76 126.43 1dub s ALA 133 Ca 0.11 -3.22 -0.23 0.00 0.00 0.00 0.00 51.96 48.62 1dub s ALA 133 Cb -0.14 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.84 1dub s ALA 133 CO 0.06 -2.18 0.80 0.08 0.00 0.00 0.00 175.76 174.52 1dub s VAL 134 N 0.22 4.66 -0.11 0.00 1.01 0.39 -4.33 120.40 122.24 1dub s VAL 134 Ca 0.16 0.63 -0.00 0.00 0.00 0.00 0.00 61.98 62.77 1dub s VAL 134 Cb -0.16 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 1dub s VAL 134 CO -0.06 -0.62 -0.10 0.20 0.00 0.00 0.00 175.10 174.52 1dub s ASN 135 N 2.04 4.34 0.53 3.32 0.01 -1.26 -0.25 114.94 123.68 1dub s ASN 135 Ca 0.31 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 1dub s ASN 135 Cb -0.12 -1.47 0.00 0.00 0.41 0.00 0.00 41.25 40.07 1dub s ASN 135 CO 0.21 0.23 0.00 0.61 -1.51 0.00 0.00 177.10 176.64 1dub n GLY 136 N 3.12 1.71 3.73 0.66 0.00 -1.22 -1.86 105.19 111.32 1dub n GLY 136 Ca -0.18 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 3.43 -0.42 1.61 2.02 -0.51 -0.31 117.35 123.16 1dub s TYR 137 Ca 0.00 1.36 0.04 0.00 -0.37 0.00 0.00 57.07 58.10 1dub s TYR 137 Cb 0.00 -3.43 0.17 0.00 -0.40 0.00 0.00 41.96 38.30 1dub s TYR 137 CO 0.00 -1.26 0.36 0.00 -1.57 0.00 0.00 175.55 173.08 1dub n ALA 138 N 3.10 2.87 -2.53 3.71 0.00 -0.37 0.78 120.51 128.07 1dub n ALA 138 Ca 0.06 -3.18 -0.31 0.00 0.00 0.00 0.00 53.44 50.02 1dub n ALA 138 Cb 0.45 -0.76 -0.11 0.00 0.00 0.00 0.00 19.45 19.02 1dub n ALA 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1dub s LEU 139 N -0.07 2.88 0.00 0.00 1.43 -0.60 -2.73 118.68 119.59 1dub s LEU 139 Ca 0.33 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1dub s LEU 139 Cb 0.04 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.58 1dub s LEU 139 CO -0.19 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1dub n GLY 140 N 1.41 3.64 0.34 -3.19 0.00 0.48 -0.65 105.19 107.22 1dub n GLY 140 Ca -0.15 0.07 0.19 0.00 0.00 0.00 0.00 46.02 46.13 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 1.36 -0.02 0.00 -1.84 0.30 103.07 102.87 1dub h GLY 141 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1dub h GLY 141 CO 0.00 0.00 -1.02 -1.33 0.00 0.00 0.00 176.54 174.19 1dub h GLY 142 N 0.00 0.64 1.00 4.60 0.00 -0.99 -1.78 103.07 106.54 1dub h GLY 142 Ca 0.02 -1.14 -0.11 0.00 0.00 0.00 0.00 47.33 46.09 1dub h GLY 142 CO -0.00 1.00 -0.22 0.00 0.00 0.00 0.00 176.54 177.33 1dub h GLU 144 N 0.57 1.03 -0.56 0.00 5.08 -1.42 0.69 114.58 119.96 1dub h GLU 144 Ca 0.07 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1dub h GLU 144 Cb 0.78 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1dub h GLU 144 CO 0.06 0.86 0.05 1.25 -1.00 0.00 0.00 179.01 180.23 1dub h LEU 145 N 0.99 0.94 -0.64 1.33 5.85 -1.19 -0.70 115.31 121.90 1dub h LEU 145 Ca 0.22 -0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 1dub h LEU 145 Cb 0.25 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1dub h LEU 145 CO -0.01 0.99 0.01 0.00 -0.34 0.00 0.00 178.44 179.09 1dub h ALA 146 N 0.98 0.85 0.00 1.25 0.00 -1.07 -2.33 119.26 118.94 1dub h ALA 146 Ca 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1dub h ALA 146 Cb 0.48 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1dub h ALA 146 CO 0.02 0.67 -0.08 0.52 0.00 0.00 0.00 179.25 180.39 1dub h MET 147 N 0.98 0.00 0.00 0.00 2.86 -0.52 -2.34 114.93 115.92 1dub h MET 147 Ca 0.18 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.73 1dub h MET 147 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1dub h MET 147 CO 0.03 0.08 -0.42 0.52 1.06 0.00 0.00 176.91 178.17 1dub h MET 148 N 0.00 0.00 -7.26 1.72 2.07 -0.57 -3.44 114.93 107.45 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 0.64 0.00 0.11 0.00 -1.87 0.00 0.00 31.60 30.48 1dub h MET 148 CO 0.01 0.42 0.35 0.00 1.07 0.00 0.00 176.91 178.76 1dub h ASP 150 N -0.55 0.80 -4.20 0.00 3.32 -1.53 -3.45 116.42 110.80 1dub h ASP 150 Ca -0.45 -0.41 -0.33 0.00 0.02 0.00 0.00 57.03 55.86 1dub h ASP 150 Cb 1.24 -0.23 -0.26 0.00 0.22 0.00 0.00 39.33 40.30 1dub h ASP 150 CO 0.53 1.16 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.83 1dub s ILE 151 N -4.11 0.54 -0.09 0.35 1.01 -1.17 -5.05 121.20 112.67 1dub s ILE 151 Ca -0.09 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1dub s ILE 151 Cb 0.11 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 42.09 1dub s ILE 151 CO 0.86 -0.03 -0.16 -0.63 0.00 0.00 0.00 174.94 174.99 1dub s ILE 152 N -0.56 1.47 -0.08 2.92 1.01 -1.26 -0.43 121.20 124.27 1dub s ILE 152 Ca -0.01 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1dub s ILE 152 Cb -0.05 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 1dub s ILE 152 CO 0.00 0.43 -0.11 -0.31 0.00 0.00 0.00 174.94 174.96 1dub s TYR 153 N 0.81 2.83 -0.02 3.97 1.51 0.63 -1.65 117.35 125.42 1dub s TYR 153 Ca -0.11 -0.18 0.08 0.00 -1.01 0.00 0.00 57.07 55.85 1dub s TYR 153 Cb -0.16 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 39.96 1dub s TYR 153 CO 0.01 0.16 -0.26 0.00 -1.11 0.00 0.00 175.55 174.36 1dub s ALA 154 N -0.50 2.13 0.75 3.71 0.00 -0.07 -0.46 121.76 127.33 1dub s ALA 154 Ca 0.07 -1.10 -0.11 0.00 0.00 0.00 0.00 51.96 50.82 1dub s ALA 154 Cb -0.12 -0.56 0.04 0.00 0.00 0.00 0.00 23.12 22.48 1dub s ALA 154 CO 0.02 0.51 1.08 0.20 0.00 0.00 0.00 175.76 177.56 1dub s GLY 155 N -0.54 1.66 0.53 0.00 0.00 0.66 -0.51 107.32 109.12 1dub s GLY 155 Ca 0.08 0.08 0.19 0.00 0.00 0.00 0.00 44.72 45.07 1dub s GLY 155 CO -0.00 0.43 2.17 0.83 0.00 0.00 0.00 173.10 176.53 1dub h GLU 156 N -0.97 0.00 -0.70 2.90 5.08 -1.27 -2.04 114.58 117.58 1dub h GLU 156 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1dub h GLU 156 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 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 -4.39 2.96 -2.29 2.33 4.76 -1.26 -4.63 118.16 115.64 1dub n LYS 157 Ca -0.03 -2.64 -0.35 0.00 -2.87 0.00 0.00 58.31 52.42 1dub n LYS 157 Cb 0.10 -1.66 -0.00 0.00 -1.84 0.00 0.00 35.03 31.63 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 -1.28 2.72 -0.01 7.82 0.00 -0.77 -4.15 121.76 126.09 1dub s ALA 158 Ca 0.49 0.81 0.01 0.00 0.00 0.00 0.00 51.96 53.26 1dub s ALA 158 Cb 0.27 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 20.05 1dub s ALA 158 CO 0.30 -0.72 -0.01 -0.65 0.00 0.00 0.00 175.76 174.68 1dub s GLN 159 N -3.27 0.21 0.06 0.00 -0.21 0.57 -1.45 119.66 115.57 1dub s GLN 159 Ca 0.72 -0.01 0.08 0.00 0.02 0.00 0.00 55.36 56.18 1dub s GLN 159 Cb -0.23 -0.29 -0.03 0.00 1.00 0.00 0.00 33.01 33.45 1dub s GLN 159 CO 0.26 -0.03 -0.21 -0.06 -2.12 0.00 0.00 175.29 173.13 1dub s PHE 160 N 0.40 2.46 -0.19 0.91 0.40 -0.27 -1.24 117.98 120.46 1dub s PHE 160 Ca -0.04 -0.31 -0.35 0.00 -0.60 0.00 0.00 56.93 55.63 1dub s PHE 160 Cb -0.06 -1.40 0.14 0.00 0.51 0.00 0.00 43.02 42.20 1dub s PHE 160 CO -0.01 0.24 1.27 0.20 0.70 0.00 0.00 175.22 177.62 1dub s GLY 161 N -1.54 -0.29 -0.59 4.36 0.00 -1.11 -0.16 107.32 107.98 1dub s GLY 161 Ca 0.14 1.53 0.04 0.00 0.00 0.00 0.00 44.72 46.44 1dub s GLY 161 CO 0.05 0.49 0.41 1.20 0.00 0.00 0.00 173.10 175.25 1dub s GLN 162 N -2.32 1.93 0.00 2.90 -1.52 -1.26 -0.39 119.66 119.00 1dub s GLN 162 Ca 0.11 -2.86 0.06 0.00 -1.95 0.00 0.00 55.36 50.72 1dub s GLN 162 Cb 0.00 -2.82 0.37 0.00 -0.22 0.00 0.00 33.01 30.35 1dub s GLN 162 CO -0.04 -1.29 1.21 -0.35 -0.25 0.00 0.00 175.29 174.57 1dub n PRO 163 N 2.43 0.97 -0.25 2.91 -0.04 -1.26 -4.26 135.00 135.49 1dub n PRO 163 Ca 0.20 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.84 1dub n PRO 163 Cb 0.38 -1.10 0.48 0.00 -0.04 0.00 0.00 33.50 33.22 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 0.45 -0.12 0.54 3.07 -1.90 -0.17 114.58 116.46 1dub h GLU 164 Ca 0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 1dub h GLU 164 Cb 0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1dub h GLU 164 CO 0.00 0.30 0.00 0.97 -1.40 0.00 0.00 179.01 178.88 1dub h ILE 165 N 0.47 1.08 0.00 3.13 6.09 -1.60 0.36 117.51 127.03 1dub h ILE 165 Ca 0.47 -0.30 0.00 0.00 -1.37 0.00 0.00 64.86 63.66 1dub h ILE 165 Cb 1.09 0.99 0.00 0.00 0.47 0.00 0.00 36.82 39.36 1dub h ILE 165 CO -0.19 0.10 0.00 0.18 -3.07 0.00 0.00 178.15 175.17 1dub n LEU 166 N -4.44 0.72 -1.04 2.19 4.77 -0.08 -1.87 117.00 117.26 1dub n LEU 166 Ca -0.01 0.67 0.09 0.00 -0.03 0.00 0.00 56.01 56.73 1dub n LEU 166 Cb 0.14 -0.56 0.24 0.00 -2.33 0.00 0.00 43.42 40.91 1dub n LEU 166 CO 0.35 -0.55 0.70 0.18 -1.33 0.00 0.00 177.39 176.74 1dub n LEU 167 N -2.29 3.45 -0.68 2.23 4.77 0.05 -4.94 117.00 119.59 1dub n LEU 167 Ca 0.02 -1.89 -0.07 0.00 -0.03 0.00 0.00 56.01 54.04 1dub n LEU 167 Cb 0.25 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1dub n LEU 167 CO 0.21 0.84 -0.08 0.61 -1.33 0.00 0.00 177.39 177.64 1dub n GLY 168 N 1.19 0.50 3.29 -0.72 0.00 -0.78 -5.02 105.19 103.65 1dub n GLY 168 Ca 0.19 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.31 0.00 0.39 2.61 -1.32 -0.79 -5.02 115.64 109.19 1dub s THR 169 Ca 0.00 -1.96 0.07 0.00 -1.21 0.00 0.00 61.69 58.59 1dub s THR 169 Cb 0.00 -2.51 -0.07 0.00 -1.51 0.00 0.00 72.50 68.40 1dub s THR 169 CO 0.00 0.00 -0.01 0.27 -2.21 0.00 0.00 174.62 172.67 1dub s ILE 170 N -3.51 1.96 0.27 5.08 -4.36 -1.26 -2.09 121.20 117.30 1dub s ILE 170 Ca 0.39 -2.04 -0.30 0.00 -0.26 0.00 0.00 60.65 58.44 1dub s ILE 170 Cb 0.03 -2.89 -0.12 0.00 1.25 0.00 0.00 42.46 40.73 1dub s ILE 170 CO 0.25 -0.05 1.64 -2.84 0.24 0.00 0.00 174.94 174.18 1dub s PRO 171 N -3.71 4.11 0.00 0.37 0.02 -1.26 -4.91 135.00 129.62 1dub s PRO 171 Ca 0.34 2.61 0.07 0.00 0.02 0.00 0.00 61.00 64.05 1dub s PRO 171 Cb 0.08 -3.03 0.20 0.00 0.02 0.00 0.00 34.50 31.78 1dub s PRO 171 CO 0.17 -0.68 1.17 0.41 -0.33 0.00 0.00 177.00 177.74 1dub n GLY 172 N 2.63 2.81 2.73 0.52 0.00 -1.26 -4.66 105.19 107.95 1dub n GLY 172 Ca 0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 0.18 3.00 0.00 4.61 0.00 -1.26 -4.95 120.51 122.08 1dub n ALA 173 Ca 0.08 -2.94 0.00 0.00 0.00 0.00 0.00 53.44 50.58 1dub n ALA 173 Cb 0.37 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.52 0.79 0.26 0.00 0.00 -1.26 -4.81 105.19 99.65 1dub n GLY 174 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.45 -0.02 0.00 -1.93 0.16 103.07 100.83 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 -0.57 -1.30 0.00 0.00 0.00 176.54 174.67 1dub n THR 176 N -3.43 0.00 -0.04 4.70 -2.24 -1.26 -4.09 114.28 107.91 1dub n THR 176 Ca -0.01 -0.16 -0.06 0.00 -2.27 0.00 0.00 64.05 61.55 1dub n THR 176 Cb 0.28 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.56 0.34 -0.05 -0.78 1.13 -0.57 -4.24 117.38 112.65 1dub n GLN 177 Ca 0.08 0.13 -0.10 0.00 -1.94 0.00 0.00 57.00 55.18 1dub n GLN 177 Cb 0.41 -1.09 0.05 0.00 0.11 0.00 0.00 30.24 29.72 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 -0.64 0.72 0.04 -1.09 3.08 -0.99 -2.37 114.38 113.14 1dub h ARG 178 Ca 0.00 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 1dub h ARG 178 Cb 0.64 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1dub h ARG 178 CO 0.00 0.99 -0.02 1.25 -1.07 0.00 0.00 179.97 181.12 1dub h LEU 179 N 0.59 -0.05 -0.44 3.04 5.85 -1.71 -2.02 115.31 120.58 1dub h LEU 179 Ca 0.05 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1dub h LEU 179 Cb 0.95 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 1dub h LEU 179 CO 0.09 0.03 0.24 0.74 -0.34 0.00 0.00 178.44 179.20 1dub h THR 180 N -0.13 1.01 0.00 1.05 2.02 -1.73 0.15 112.91 115.29 1dub h THR 180 Ca -0.01 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1dub h THR 180 Cb 0.11 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1dub h THR 180 CO 0.01 0.09 -0.10 0.03 0.37 0.00 0.00 175.52 175.92 1dub h ARG 181 N 0.49 0.00 0.07 6.66 3.08 -1.29 0.83 114.38 124.22 1dub h ARG 181 Ca 0.18 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.86 1dub h ARG 181 Cb 0.05 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 1dub h ARG 181 CO -0.10 0.10 -2.14 0.00 -1.07 0.00 0.00 179.97 176.75 1dub n ALA 182 N -2.23 1.12 0.48 0.04 0.00 -0.58 -4.66 120.51 114.68 1dub n ALA 182 Ca -0.01 -0.79 0.08 0.00 0.00 0.00 0.00 53.44 52.71 1dub n ALA 182 Cb 0.24 -0.49 -0.10 0.00 0.00 0.00 0.00 19.45 19.10 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 -3.35 0.00 0.00 0.00 0.31 0.41 -4.49 118.33 111.21 1dub n VAL 183 Ca -0.35 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1dub n VAL 183 Cb 1.03 0.69 0.00 0.00 -0.91 0.00 0.00 33.84 34.65 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 1.45 1.61 0.20 2.92 0.00 0.28 -4.57 105.19 107.07 1dub n GLY 184 Ca 0.01 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.14 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 0.64 0.10 1.61 3.64 -1.95 -1.96 116.57 118.65 1dub h LYS 185 Ca 0.00 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1dub h LYS 185 Cb 0.00 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1dub h LYS 185 CO 0.00 0.50 -0.05 1.03 -2.27 0.00 0.00 179.45 178.66 1dub h SER 186 N 0.61 -0.12 -0.04 4.20 0.87 -1.97 0.14 113.55 117.24 1dub h SER 186 Ca 0.16 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.54 1dub h SER 186 Cb 0.04 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1dub h SER 186 CO -0.03 -0.07 -0.57 0.25 -0.53 0.00 0.00 176.83 175.88 1dub h LEU 187 N -0.15 0.71 0.10 2.23 5.85 -1.80 -1.33 115.31 120.91 1dub h LEU 187 Ca -0.01 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1dub h LEU 187 Cb 0.12 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1dub h LEU 187 CO 0.02 1.13 -0.05 0.00 -0.34 0.00 0.00 178.44 179.20 1dub h ALA 188 N 0.88 -0.14 -0.56 1.25 0.00 -1.21 0.38 119.26 119.86 1dub h ALA 188 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1dub h ALA 188 Cb 1.14 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1dub h ALA 188 CO 0.11 -0.52 0.24 0.52 0.00 0.00 0.00 179.25 179.61 1dub h MET 189 N -0.26 0.44 -0.30 0.00 2.86 -0.67 0.12 114.93 117.11 1dub h MET 189 Ca -0.01 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1dub h MET 189 Cb 0.21 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1dub h MET 189 CO 0.02 0.29 0.18 1.49 1.06 0.00 0.00 176.91 179.96 1dub h GLU 190 N 0.45 0.41 -0.50 1.72 4.81 -1.01 0.17 114.58 120.64 1dub h GLU 190 Ca 0.27 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1dub h GLU 190 Cb 0.26 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1dub h GLU 190 CO -0.23 0.32 -0.16 0.52 -0.73 0.00 0.00 179.01 178.72 1dub h MET 191 N 0.39 0.99 -0.13 1.92 2.86 -0.36 -1.97 114.93 118.63 1dub h MET 191 Ca 0.11 -0.40 -0.23 0.00 -2.06 0.00 0.00 59.70 57.12 1dub h MET 191 Cb 0.01 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 31.63 1dub h MET 191 CO -0.02 1.08 -0.81 0.28 1.06 0.00 0.00 176.91 178.49 1dub h VAL 192 N 0.85 1.28 0.00 -2.22 2.07 -0.60 -1.31 116.25 116.32 1dub h VAL 192 Ca 0.12 -2.02 -0.12 0.00 0.82 0.00 0.00 66.70 65.50 1dub h VAL 192 Cb 0.74 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1dub h VAL 192 CO 0.06 0.64 -0.61 -0.07 0.02 0.00 0.00 177.57 177.60 1dub h LEU 193 N 0.51 0.00 0.00 2.57 3.38 -0.71 -3.37 115.31 117.70 1dub h LEU 193 Ca -0.06 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1dub h LEU 193 Cb 1.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 1dub h LEU 193 CO 0.17 0.56 -1.66 0.35 0.09 0.00 0.00 178.44 177.95 1dub n THR 194 N -3.22 0.39 -0.85 0.22 -2.24 -0.74 -4.99 114.28 102.85 1dub n THR 194 Ca 0.01 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1dub n THR 194 Cb 0.76 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 2.06 0.57 3.77 3.38 0.00 -0.49 -4.86 105.19 109.61 1dub n GLY 195 Ca -0.10 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.09 5.86 0.28 1.61 1.01 -1.24 -4.33 116.67 117.77 1dub s ASP 196 Ca 0.00 2.32 -0.05 0.00 0.71 0.00 0.00 52.55 55.53 1dub s ASP 196 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1dub s ASP 196 CO 0.00 -1.13 0.54 -0.13 0.21 0.00 0.00 175.17 174.66 1dub s ARG 197 N -2.95 3.63 0.16 8.23 0.52 -1.26 -4.44 118.95 122.84 1dub s ARG 197 Ca 0.68 -0.01 0.11 0.00 -0.52 0.00 0.00 55.73 55.99 1dub s ARG 197 Cb -0.29 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 1dub s ARG 197 CO 0.33 0.24 -0.25 0.96 0.02 0.00 0.00 175.30 176.61 1dub s ILE 198 N -2.04 2.22 0.87 1.52 -4.36 0.77 -4.96 121.20 115.21 1dub s ILE 198 Ca 0.44 -1.86 -0.13 0.00 -0.26 0.00 0.00 60.65 58.83 1dub s ILE 198 Cb -0.11 -2.00 0.13 0.00 1.25 0.00 0.00 42.46 41.73 1dub s ILE 198 CO 0.29 -0.04 1.23 -0.94 0.24 0.00 0.00 174.94 175.73 1dub s SER 199 N -2.33 3.94 0.20 4.36 1.04 -1.26 -1.11 113.70 118.53 1dub s SER 199 Ca 0.16 0.53 -0.11 0.00 0.48 0.00 0.00 55.95 57.02 1dub s SER 199 Cb -0.09 -0.85 0.20 0.00 0.10 0.00 0.00 66.02 65.38 1dub s SER 199 CO 0.07 -2.23 1.81 0.00 0.98 0.00 0.00 173.24 173.87 1dub h ALA 200 N -1.27 0.82 -0.46 5.32 0.00 -1.51 -0.49 119.26 121.67 1dub h ALA 200 Ca -0.45 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1dub h ALA 200 Cb 1.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1dub h ALA 200 CO 0.54 0.04 0.28 1.96 0.00 0.00 0.00 179.25 182.07 1dub h GLN 201 N 0.66 0.62 -0.71 0.00 7.50 -1.88 -0.24 115.11 121.06 1dub h GLN 201 Ca 0.27 -0.05 -0.07 0.00 0.50 0.00 0.00 58.65 59.30 1dub h GLN 201 Cb 0.14 -0.13 -0.03 0.00 0.05 0.00 0.00 27.48 27.50 1dub h GLN 201 CO -0.16 0.45 0.18 -0.44 -1.50 0.00 0.00 178.83 177.36 1dub h ASP 202 N 0.61 1.07 -0.79 1.46 3.32 -1.75 0.79 116.42 121.13 1dub h ASP 202 Ca 0.17 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1dub h ASP 202 Cb -0.02 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 1dub h ASP 202 CO -0.03 1.02 0.32 0.00 -1.72 0.00 0.00 179.24 178.82 1dub h ALA 203 N 1.09 1.06 -0.04 3.45 0.00 -0.41 -0.35 119.26 124.07 1dub h ALA 203 Ca 0.22 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1dub h ALA 203 Cb 0.36 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1dub h ALA 203 CO 0.00 0.66 -0.42 -0.22 0.00 0.00 0.00 179.25 179.27 1dub h LYS 204 N 1.15 0.35 -0.32 0.00 3.64 -0.68 0.26 116.57 120.97 1dub h LYS 204 Ca 0.26 -0.33 0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1dub h LYS 204 Cb 0.21 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1dub h LYS 204 CO -0.02 0.99 0.22 0.37 -2.27 0.00 0.00 179.45 178.74 1dub h GLN 205 N -0.17 0.09 0.00 1.90 4.15 -0.64 0.12 115.11 120.55 1dub h GLN 205 Ca -0.04 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1dub h GLN 205 Cb 1.11 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1dub h GLN 205 CO 0.08 0.06 -0.43 0.00 -1.93 0.00 0.00 178.83 176.61 1dub h ALA 206 N 1.84 0.74 0.00 3.38 0.00 -0.81 -3.48 119.26 120.92 1dub h ALA 206 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1dub h ALA 206 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1dub h ALA 206 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1dub n GLY 207 N 1.27 0.83 0.14 0.00 0.00 0.03 -4.29 105.19 103.16 1dub n GLY 207 Ca 0.03 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 0.50 -8.63 0.99 5.85 -0.77 -3.45 115.31 109.80 1dub h LEU 208 Ca 0.00 -0.44 -0.50 0.00 0.84 0.00 0.00 57.88 57.78 1dub h LEU 208 Cb 0.00 -0.16 -0.21 0.00 0.37 0.00 0.00 40.66 40.67 1dub h LEU 208 CO 0.00 1.26 -0.80 0.68 -0.34 0.00 0.00 178.44 179.24 1dub s VAL 209 N -3.10 1.55 -1.09 1.05 -7.23 -1.17 -4.68 120.40 105.73 1dub s VAL 209 Ca -0.05 -1.57 0.17 0.00 -1.81 0.00 0.00 61.98 58.71 1dub s VAL 209 Cb 0.08 -1.49 -0.11 0.00 0.56 0.00 0.00 36.38 35.42 1dub s VAL 209 CO 0.87 -0.18 0.78 -1.54 -0.31 0.00 0.00 175.10 174.72 1dub n SER 210 N 0.93 1.13 -3.68 4.85 3.41 -0.66 -4.27 113.62 115.34 1dub n SER 210 Ca -0.18 -1.07 -0.14 0.00 -0.26 0.00 0.00 58.87 57.22 1dub n SER 210 Cb 0.55 0.80 -0.08 0.00 -0.26 0.00 0.00 64.21 65.21 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 -2.36 0.70 -0.06 4.33 2.47 -1.24 -5.07 119.74 118.50 1dub s LYS 211 Ca 0.09 0.39 0.06 0.00 -1.56 0.00 0.00 55.97 54.95 1dub s LYS 211 Cb 0.13 0.33 -0.01 0.00 -1.46 0.00 0.00 37.83 36.82 1dub s LYS 211 CO 0.59 -0.15 -0.24 0.42 0.16 0.00 0.00 175.35 176.13 1dub s ILE 212 N -0.42 2.14 0.08 5.43 1.01 -1.26 -0.89 121.20 127.29 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 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1dub s ILE 212 CO 0.03 0.57 -0.05 -0.36 0.00 0.00 0.00 174.94 175.13 1dub s PHE 213 N -0.16 0.74 0.51 3.97 0.08 0.34 -4.94 117.98 118.51 1dub s PHE 213 Ca -0.03 -0.92 -0.22 0.00 0.12 0.00 0.00 56.93 55.88 1dub s PHE 213 Cb -0.14 -0.46 -0.07 0.00 -0.57 0.00 0.00 43.02 41.79 1dub s PHE 213 CO 0.04 -0.22 1.18 -2.30 -0.10 0.00 0.00 175.22 173.82 1dub n PRO 214 N 0.18 1.48 -0.27 0.24 -0.02 -1.26 -0.86 135.00 134.48 1dub n PRO 214 Ca -0.14 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 61.97 1dub n PRO 214 Cb 0.60 -2.33 0.23 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.35 0.46 -0.50 -1.45 2.07 -1.93 0.48 116.25 116.73 1dub h VAL 215 Ca -0.48 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1dub h VAL 215 Cb 1.32 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1dub h VAL 215 CO 0.56 0.05 0.19 -0.33 0.02 0.00 0.00 177.57 178.06 1dub h GLU 216 N 0.28 0.76 -0.03 1.57 3.07 -2.02 -3.18 114.58 115.03 1dub h GLU 216 Ca 0.47 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1dub h GLU 216 Cb 0.86 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1dub h GLU 216 CO -0.55 0.68 -0.06 0.25 -1.40 0.00 0.00 179.01 177.92 1dub n THR 217 N -4.54 0.00 0.00 1.13 -2.24 -0.96 -4.69 114.28 102.99 1dub n THR 217 Ca 0.02 -0.43 -0.08 0.00 -2.27 0.00 0.00 64.05 61.29 1dub n THR 217 Cb 0.16 1.32 -0.05 0.00 -2.10 0.00 0.00 70.33 69.67 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 4.07 -0.88 -1.39 3.22 5.85 -0.89 -0.55 115.31 124.73 1dub h LEU 218 Ca 0.00 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1dub h LEU 218 Cb 0.90 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 1dub h LEU 218 CO 0.00 -0.26 0.49 0.58 -0.34 0.00 0.00 178.44 178.92 1dub h VAL 219 N -0.31 0.97 -0.43 1.05 2.07 -1.83 -0.11 116.25 117.65 1dub h VAL 219 Ca 0.01 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1dub h VAL 219 Cb 0.36 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1dub h VAL 219 CO -0.22 0.13 0.23 -0.08 0.02 0.00 0.00 177.57 177.65 1dub h GLU 220 N 0.70 0.61 -0.20 1.57 4.81 -1.78 0.25 114.58 120.54 1dub h GLU 220 Ca 0.34 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 1dub h GLU 220 Cb 0.40 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1dub h GLU 220 CO -0.12 0.50 -0.26 0.93 -0.73 0.00 0.00 179.01 179.33 1dub h GLU 221 N 0.56 0.38 -0.06 1.92 4.39 0.11 -1.24 114.58 120.63 1dub h GLU 221 Ca 0.15 -0.14 -0.19 0.00 0.34 0.00 0.00 59.36 59.53 1dub h GLU 221 Cb 0.08 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1dub h GLU 221 CO -0.02 0.61 -0.75 0.00 -1.16 0.00 0.00 179.01 177.69 1dub h ALA 222 N 1.39 0.59 -0.24 3.43 0.00 -0.59 -2.58 119.26 121.26 1dub h ALA 222 Ca 0.05 -0.62 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 1dub h ALA 222 Cb 0.64 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1dub h ALA 222 CO 0.05 0.78 -0.32 0.82 0.00 0.00 0.00 179.25 180.58 1dub h ILE 223 N 0.25 1.28 -0.49 0.00 2.04 -0.42 -1.35 117.51 118.82 1dub h ILE 223 Ca -0.03 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 1dub h ILE 223 Cb 1.33 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 1dub h ILE 223 CO 0.13 0.44 0.28 -0.61 0.00 0.00 0.00 178.15 178.39 1dub h GLN 224 N 0.42 0.68 -0.38 2.37 4.15 -1.08 0.48 115.11 121.74 1dub h GLN 224 Ca 0.05 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1dub h GLN 224 Cb 0.76 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 1dub h GLN 224 CO 0.06 0.51 0.13 0.00 -1.93 0.00 0.00 178.83 177.60 1dub h ALA 226 N 0.98 1.49 -0.13 0.00 0.00 -0.94 -2.57 119.26 118.09 1dub h ALA 226 Ca 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1dub h ALA 226 Cb 0.23 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1dub h ALA 226 CO -0.01 0.26 -0.08 0.93 0.00 0.00 0.00 179.25 180.36 1dub h GLU 227 N 0.00 0.29 -0.66 0.00 5.08 -0.39 -0.28 114.58 118.62 1dub h GLU 227 Ca -0.00 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1dub h GLU 227 Cb 0.41 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1dub h GLU 227 CO 0.03 0.63 0.43 0.87 -1.00 0.00 0.00 179.01 179.97 1dub h LYS 228 N -0.06 0.76 -0.19 2.33 1.57 -1.07 -1.85 116.57 118.05 1dub h LYS 228 Ca 0.03 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1dub h LYS 228 Cb 0.55 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1dub h LYS 228 CO 0.02 0.50 -0.37 0.82 -0.57 0.00 0.00 179.45 179.85 1dub h ILE 229 N 0.78 1.33 0.00 1.86 2.04 -1.25 -3.17 117.51 119.09 1dub h ILE 229 Ca 0.26 -1.60 -0.03 0.00 1.00 0.00 0.00 64.86 64.49 1dub h ILE 229 Cb 0.08 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1dub h ILE 229 CO -0.07 0.49 -0.16 0.00 0.00 0.00 0.00 178.15 178.41 1dub h ALA 230 N 0.59 1.45 0.00 1.87 0.00 -0.48 -2.42 119.26 120.29 1dub h ALA 230 Ca 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1dub h ALA 230 Cb 0.97 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1dub h ALA 230 CO 0.08 0.20 -0.04 -0.91 0.00 0.00 0.00 179.25 178.58 1dub h ASN 231 N 0.00 0.00 -4.18 0.00 2.35 -1.33 -3.45 115.58 108.98 1dub h ASN 231 Ca -0.00 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.28 1dub h ASN 231 Cb 0.35 0.00 0.09 0.00 0.05 0.00 0.00 38.32 38.81 1dub h ASN 231 CO 0.02 0.04 0.32 0.20 -1.65 0.00 0.00 177.43 176.36 1dub s ASN 232 N -5.89 4.73 0.12 5.81 0.01 -0.91 -4.81 114.94 113.99 1dub s ASN 232 Ca 0.02 0.64 -0.31 0.00 -0.71 0.00 0.00 52.86 52.50 1dub s ASN 232 Cb 0.08 -1.24 -0.10 0.00 0.41 0.00 0.00 41.25 40.41 1dub s ASN 232 CO 0.59 -1.71 1.71 -0.55 -1.51 0.00 0.00 177.10 175.63 1dub s SER 233 N -4.53 6.51 0.24 -1.22 0.15 -1.26 -4.89 113.70 108.70 1dub s SER 233 Ca 0.61 2.64 -0.06 0.00 0.70 0.00 0.00 55.95 59.84 1dub s SER 233 Cb -0.11 -2.57 0.24 0.00 -1.71 0.00 0.00 66.02 61.87 1dub s SER 233 CO 0.47 -0.93 1.91 0.11 1.20 0.00 0.00 173.24 176.00 1dub h LYS 234 N 8.02 1.29 -0.34 5.44 1.57 -1.88 0.60 116.57 131.27 1dub h LYS 234 Ca -0.44 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.12 1dub h LYS 234 Cb 1.21 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1dub h LYS 234 CO 0.94 0.88 -0.30 0.97 -0.57 0.00 0.00 179.45 181.36 1dub h ILE 235 N 1.32 1.28 -0.09 1.86 2.10 -1.90 -0.47 117.51 121.60 1dub h ILE 235 Ca 0.35 -1.44 -0.21 0.00 1.08 0.00 0.00 64.86 64.64 1dub h ILE 235 Cb -0.11 1.35 0.01 0.00 -1.09 0.00 0.00 36.82 36.98 1dub h ILE 235 CO -0.07 0.47 -0.78 0.40 -1.08 0.00 0.00 178.15 177.09 1dub h ILE 236 N 0.61 1.31 -0.92 2.19 1.08 -1.88 -1.84 117.51 118.06 1dub h ILE 236 Ca 0.07 -2.02 0.02 0.00 -0.39 0.00 0.00 64.86 62.54 1dub h ILE 236 Cb 0.82 2.17 -0.05 0.00 -3.07 0.00 0.00 36.82 36.69 1dub h ILE 236 CO 0.07 0.63 0.61 0.58 -0.69 0.00 0.00 178.15 179.34 1dub h VAL 237 N 0.37 1.20 -0.39 1.67 2.07 -0.72 0.33 116.25 120.77 1dub h VAL 237 Ca -0.07 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 66.92 1dub h VAL 237 Cb 1.42 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1dub h VAL 237 CO 0.16 0.22 -0.20 0.00 0.02 0.00 0.00 177.57 177.76 1dub h ALA 238 N 1.36 0.90 -0.44 1.67 0.00 -0.98 -1.43 119.26 120.34 1dub h ALA 238 Ca 0.35 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1dub h ALA 238 Cb -0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1dub h ALA 238 CO -0.09 0.62 0.06 0.52 0.00 0.00 0.00 179.25 180.36 1dub h MET 239 N 0.68 0.73 -0.65 0.00 2.07 -0.58 -2.16 114.93 115.01 1dub h MET 239 Ca 0.10 -0.20 -0.03 0.00 -2.07 0.00 0.00 59.70 57.50 1dub h MET 239 Cb 0.71 -0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 30.33 1dub h MET 239 CO 0.05 0.77 0.30 0.00 1.07 0.00 0.00 176.91 179.10 1dub h ALA 240 N 0.93 0.84 -0.55 6.32 0.00 -0.63 -0.62 119.26 125.57 1dub h ALA 240 Ca 0.13 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1dub h ALA 240 Cb 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1dub h ALA 240 CO 0.01 0.42 -0.06 -0.22 0.00 0.00 0.00 179.25 179.41 1dub h LYS 241 N 0.91 0.99 -0.28 0.00 3.64 -1.26 0.18 116.57 120.75 1dub h LYS 241 Ca 0.22 -0.33 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 1dub h LYS 241 Cb 0.15 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1dub h LYS 241 CO -0.03 1.01 -0.21 1.49 -2.27 0.00 0.00 179.45 179.44 1dub h GLU 242 N 0.90 0.53 -0.17 1.90 4.81 -1.14 -1.66 114.58 119.74 1dub h GLU 242 Ca 0.15 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 1dub h GLU 242 Cb 0.60 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1dub h GLU 242 CO 0.04 0.71 -0.25 1.03 -0.73 0.00 0.00 179.01 179.81 1dub h SER 243 N 0.47 0.51 -0.50 1.04 0.87 -0.46 -2.71 113.55 112.77 1dub h SER 243 Ca 0.07 -0.52 -0.01 0.00 -1.23 0.00 0.00 61.79 60.10 1dub h SER 243 Cb 0.63 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1dub h SER 243 CO 0.04 0.93 0.27 0.58 -0.53 0.00 0.00 176.83 178.12 1dub h VAL 244 N 0.10 1.17 -0.21 2.23 2.07 -0.88 -2.24 116.25 118.50 1dub h VAL 244 Ca 0.02 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1dub h VAL 244 Cb 0.82 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1dub h VAL 244 CO 0.06 0.19 0.12 0.78 0.02 0.00 0.00 177.57 178.73 1dub h ASN 245 N 0.66 0.24 0.24 0.57 2.35 -1.33 -0.94 115.58 117.37 1dub h ASN 245 Ca 0.17 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1dub h ASN 245 Cb 0.06 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1dub h ASN 245 CO -0.03 0.20 0.00 0.00 -1.65 0.00 0.00 177.43 175.95 1dub h ALA 246 N 1.84 1.00 0.00 -0.83 0.00 -1.06 -2.44 119.26 117.78 1dub h ALA 246 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1dub h ALA 246 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1dub h ALA 246 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.24 1dub n ALA 247 N -1.83 1.23 0.17 0.00 0.00 -0.36 -1.48 120.51 118.24 1dub n ALA 247 Ca -0.01 0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.61 1dub n ALA 247 Cb 0.10 -1.26 0.11 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.02 0.25 -0.17 0.00 3.72 -0.92 -4.57 117.46 113.74 1dub n PHE 248 Ca 0.00 -0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 1dub n PHE 248 Cb 0.08 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 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 0.65 -0.42 -4.01 -1.08 -0.58 -0.55 -5.08 120.64 109.58 1dub n GLU 249 Ca 0.10 -0.53 -0.10 0.00 -0.42 0.00 0.00 57.16 56.21 1dub n GLU 249 Cb 0.37 -0.91 -0.05 0.00 -0.57 0.00 0.00 31.44 30.28 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 -0.10 1.61 0.74 3.49 -1.94 -1.18 -5.09 119.30 116.82 1dub s MET 250 Ca 0.00 -1.34 -0.11 0.00 -1.71 0.00 0.00 55.69 52.53 1dub s MET 250 Cb 0.00 0.46 0.03 0.00 2.01 0.00 0.00 34.83 37.34 1dub s MET 250 CO 0.00 -0.67 1.08 0.95 -0.01 0.00 0.00 175.02 176.37 1dub s THR 251 N -3.83 3.54 0.28 2.05 -4.23 -1.26 -4.76 115.64 107.43 1dub s THR 251 Ca 0.24 0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 61.23 1dub s THR 251 Cb -0.00 -3.32 0.27 0.00 1.34 0.00 0.00 72.50 70.79 1dub s THR 251 CO 0.11 -0.65 1.92 0.25 -0.54 0.00 0.00 174.62 175.71 1dub h LEU 252 N -0.84 1.01 -0.49 4.79 5.85 -1.97 0.46 115.31 124.13 1dub h LEU 252 Ca -0.45 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.29 1dub h LEU 252 Cb 1.24 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1dub h LEU 252 CO 0.60 0.69 0.27 0.74 -0.34 0.00 0.00 178.44 180.40 1dub h THR 253 N 1.17 1.00 0.01 1.05 2.02 -1.99 -0.63 112.91 115.53 1dub h THR 253 Ca 0.37 -0.18 -0.22 0.00 0.77 0.00 0.00 66.41 67.16 1dub h THR 253 Cb 0.02 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1dub h THR 253 CO -0.11 0.10 -0.93 -0.33 0.37 0.00 0.00 175.52 174.61 1dub h GLU 254 N 0.52 0.33 -0.34 6.66 4.39 -1.78 -2.35 114.58 122.02 1dub h GLU 254 Ca 0.21 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1dub h GLU 254 Cb 0.08 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1dub h GLU 254 CO -0.12 1.05 0.16 0.78 -1.16 0.00 0.00 179.01 179.72 1dub h GLY 255 N 1.47 0.53 1.01 -3.84 0.00 -0.69 0.84 103.07 102.40 1dub h GLY 255 Ca -0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1dub h GLY 255 CO 0.15 0.25 0.54 3.43 0.00 0.00 0.00 176.54 180.92 1dub h ASN 256 N 0.41 1.05 -0.48 0.19 2.35 -1.10 0.22 115.58 118.22 1dub h ASN 256 Ca 0.12 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1dub h ASN 256 Cb 0.13 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1dub h ASN 256 CO -0.01 0.80 0.06 0.11 -1.65 0.00 0.00 177.43 176.74 1dub h LYS 257 N 1.21 0.81 -0.05 0.81 1.57 -1.05 -0.84 116.57 119.03 1dub h LYS 257 Ca 0.32 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1dub h LYS 257 Cb -0.07 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1dub h LYS 257 CO -0.06 0.82 0.02 1.25 -0.57 0.00 0.00 179.45 180.92 1dub h LEU 258 N 0.68 0.07 -0.65 2.94 5.85 -0.38 -2.03 115.31 121.80 1dub h LEU 258 Ca 0.14 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.83 1dub h LEU 258 Cb 0.42 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 1dub h LEU 258 CO 0.01 0.19 0.25 -0.08 -0.34 0.00 0.00 178.44 178.48 1dub h GLU 259 N -0.06 0.42 -0.83 1.25 4.81 -0.47 -1.05 114.58 118.64 1dub h GLU 259 Ca 0.02 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1dub h GLU 259 Cb 0.14 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1dub h GLU 259 CO -0.00 0.28 0.54 -0.22 -0.73 0.00 0.00 179.01 178.88 1dub h LYS 260 N 0.43 1.10 -0.38 1.92 1.63 -0.97 0.96 116.57 121.26 1dub h LYS 260 Ca 0.33 -0.07 -0.08 0.00 -0.85 0.00 0.00 60.65 59.98 1dub h LYS 260 Cb 0.43 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 1dub h LYS 260 CO -0.32 0.74 -0.11 0.87 -3.45 0.00 0.00 179.45 177.17 1dub h LYS 261 N 1.13 0.66 -0.24 1.90 1.57 -0.49 0.69 116.57 121.79 1dub h LYS 261 Ca 0.30 -0.21 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 1dub h LYS 261 Cb -0.11 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1dub h LYS 261 CO -0.06 0.76 -0.53 -0.07 -0.57 0.00 0.00 179.45 178.97 1dub h LEU 262 N 0.61 0.79 -0.17 2.94 3.38 -0.80 -1.56 115.31 120.50 1dub h LEU 262 Ca 0.11 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.68 1dub h LEU 262 Cb 0.54 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1dub h LEU 262 CO 0.03 1.17 0.06 0.15 0.09 0.00 0.00 178.44 179.94 1dub h PHE 263 N 0.55 0.10 -0.65 1.13 3.57 -0.39 -1.40 116.94 119.84 1dub h PHE 263 Ca 0.02 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1dub h PHE 263 Cb 1.10 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 1dub h PHE 263 CO 0.06 0.05 0.28 1.88 -2.23 0.00 0.00 178.31 178.34 1dub h TYR 264 N 0.14 0.95 -0.34 0.41 0.05 -0.73 -2.30 116.97 115.15 1dub h TYR 264 Ca 0.07 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1dub h TYR 264 Cb 0.04 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.47 1dub h TYR 264 CO -0.11 0.72 0.17 0.77 -1.05 0.00 0.00 178.16 178.66 1dub h SER 265 N 0.94 0.41 -0.03 3.88 0.02 -0.33 -1.87 113.55 116.57 1dub h SER 265 Ca 0.22 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1dub h SER 265 Cb 0.16 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 1dub h SER 265 CO -0.02 0.35 0.04 0.71 -1.14 0.00 0.00 176.83 176.77 1dub h THR 266 N 0.47 0.58 0.00 -2.27 1.35 -0.69 0.27 112.91 112.63 1dub h THR 266 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1dub h THR 266 Cb 0.04 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1dub h THR 266 CO -0.02 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.74 1dub n PHE 267 N -3.93 0.10 1.49 4.73 3.01 -0.70 -1.75 117.46 120.41 1dub n PHE 267 Ca -0.02 0.04 0.14 0.00 1.01 0.00 0.00 57.45 58.61 1dub n PHE 267 Cb 0.13 -0.56 0.55 0.00 -0.01 0.00 0.00 39.48 39.59 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 -1.53 2.71 -2.79 4.37 0.00 0.96 -4.92 120.51 119.31 1dub n ALA 268 Ca 0.04 -0.39 -0.22 0.00 0.00 0.00 0.00 53.44 52.87 1dub n ALA 268 Cb 0.21 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.15 4.31 0.19 0.00 -4.23 -0.72 -5.02 115.64 108.02 1dub s THR 269 Ca 0.35 -1.46 0.09 0.00 -1.18 0.00 0.00 61.69 59.50 1dub s THR 269 Cb 0.21 -3.34 -0.11 0.00 1.34 0.00 0.00 72.50 70.60 1dub s THR 269 CO 0.39 -0.35 1.46 0.44 -0.54 0.00 0.00 174.62 176.02 1dub h ASP 270 N 1.53 0.00 -0.06 3.99 3.32 -1.63 -3.27 116.42 120.30 1dub h ASP 270 Ca -0.48 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 1dub h ASP 270 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1dub h ASP 270 CO 0.61 0.79 -0.17 0.44 -1.72 0.00 0.00 179.24 179.19 1dub h ASP 271 N 0.00 0.40 -0.00 6.45 3.32 -0.98 -0.05 116.42 125.55 1dub h ASP 271 Ca -0.01 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 56.77 1dub h ASP 271 Cb 1.41 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 1dub h ASP 271 CO 0.10 0.59 -0.57 -0.09 -1.72 0.00 0.00 179.24 177.55 1dub h ARG 272 N 0.38 0.60 0.07 3.56 1.12 -1.75 0.63 114.38 118.99 1dub h ARG 272 Ca 0.07 -0.39 -0.00 0.00 -1.11 0.00 0.00 59.98 58.54 1dub h ARG 272 Cb 0.52 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.53 1dub h ARG 272 CO 0.03 1.01 -0.04 -0.09 -3.11 0.00 0.00 179.97 177.77 1dub h ARG 273 N 0.45 -0.10 -0.27 0.20 1.12 -1.50 -2.10 114.38 112.19 1dub h ARG 273 Ca 0.00 0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.88 1dub h ARG 273 Cb 1.13 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.10 1dub h ARG 273 CO 0.11 0.02 0.16 1.49 -3.11 0.00 0.00 179.97 178.64 1dub h GLU 274 N -0.19 0.36 -0.31 0.20 4.57 -0.85 -1.77 114.58 116.60 1dub h GLU 274 Ca -0.01 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1dub h GLU 274 Cb 0.16 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1dub h GLU 274 CO 0.02 0.28 0.18 0.78 -1.18 0.00 0.00 179.01 179.09 1dub h GLY 275 N 0.34 0.42 1.65 1.92 0.00 0.35 -0.68 103.07 107.07 1dub h GLY 275 Ca 0.10 -0.13 -0.19 0.00 0.00 0.00 0.00 47.33 47.11 1dub h GLY 275 CO -0.02 0.12 -0.77 -0.33 0.00 0.00 0.00 176.54 175.54 1dub h MET 276 N 0.36 0.34 -0.54 4.80 2.86 -1.32 -2.88 114.93 118.54 1dub h MET 276 Ca 0.12 -0.30 -0.10 0.00 -2.06 0.00 0.00 59.70 57.36 1dub h MET 276 Cb 0.00 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1dub h MET 276 CO -0.06 0.96 -0.06 0.77 1.06 0.00 0.00 176.91 179.58 1dub h SER 277 N 0.22 0.99 -0.86 1.22 0.02 -1.20 -1.94 113.55 111.99 1dub h SER 277 Ca -0.04 -0.33 0.04 0.00 -0.84 0.00 0.00 61.79 60.62 1dub h SER 277 Cb 1.36 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.58 1dub h SER 277 CO 0.13 1.08 0.56 0.00 -1.14 0.00 0.00 176.83 177.47 1dub h ALA 278 N 0.94 1.49 0.28 3.77 0.00 -1.07 0.84 119.26 125.50 1dub h ALA 278 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1dub h ALA 278 Cb 0.61 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1dub h ALA 278 CO 0.04 0.42 -0.13 0.35 0.00 0.00 0.00 179.25 179.92 1dub h PHE 279 N 1.04 -0.34 -0.85 0.00 3.57 -1.24 0.46 116.94 119.58 1dub h PHE 279 Ca 0.35 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1dub h PHE 279 Cb 0.07 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 1dub h PHE 279 CO -0.00 -0.04 0.51 0.28 -2.23 0.00 0.00 178.31 176.83 1dub h VAL 280 N -0.65 1.24 -0.16 1.41 2.07 -0.90 -2.61 116.25 116.65 1dub h VAL 280 Ca -0.04 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1dub h VAL 280 Cb 0.46 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1dub h VAL 280 CO 0.06 0.25 0.00 -0.62 0.02 0.00 0.00 177.57 177.28 1dub n GLU 281 N -4.43 1.44 -3.73 1.57 1.02 0.29 -4.92 120.64 111.88 1dub n GLU 281 Ca 0.09 -0.67 -0.24 0.00 -0.02 0.00 0.00 57.16 56.32 1dub n GLU 281 Cb 0.06 -1.23 0.04 0.00 -0.02 0.00 0.00 31.44 30.29 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 -0.02 -5.53 -4.21 3.49 4.76 -0.57 -4.99 118.16 111.10 1dub n LYS 282 Ca 0.10 0.65 -0.12 0.00 -2.87 0.00 0.00 58.31 56.07 1dub n LYS 282 Cb 0.18 -5.40 -0.10 0.00 -1.84 0.00 0.00 35.03 27.88 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 -6.13 1.13 0.21 1.97 1.70 0.05 -5.04 118.95 112.83 1dub s ARG 283 Ca 0.24 -1.58 -0.30 0.00 -0.47 0.00 0.00 55.73 53.63 1dub s ARG 283 Cb -0.12 0.09 -0.08 0.00 -0.57 0.00 0.00 34.95 34.27 1dub s ARG 283 CO 0.80 -0.29 1.03 0.21 -1.08 0.00 0.00 175.30 175.97 1dub s LYS 284 N -4.07 4.70 0.34 3.89 2.20 -1.26 -4.40 119.74 121.14 1dub s LYS 284 Ca 0.32 1.63 -0.20 0.00 -0.36 0.00 0.00 55.97 57.36 1dub s LYS 284 Cb 0.07 -3.27 -0.10 0.00 -1.51 0.00 0.00 37.83 33.02 1dub s LYS 284 CO 0.08 0.25 0.84 0.00 -0.36 0.00 0.00 175.35 176.16 1dub s ALA 285 N -0.68 3.23 -0.32 3.13 0.00 -1.26 -4.93 121.76 120.92 1dub s ALA 285 Ca 0.45 0.26 0.04 0.00 0.00 0.00 0.00 51.96 52.72 1dub s ALA 285 Cb -0.28 -2.97 0.09 0.00 0.00 0.00 0.00 23.12 19.96 1dub s ALA 285 CO 0.35 0.24 0.02 1.21 0.00 0.00 0.00 175.76 177.57 1dub s ASN 286 N -2.02 4.71 0.46 0.00 3.04 -1.26 -5.07 114.94 114.80 1dub s ASN 286 Ca 0.54 -1.99 -0.16 0.00 0.04 0.00 0.00 52.86 51.29 1dub s ASN 286 Cb -0.12 -1.62 -0.08 0.00 -1.54 0.00 0.00 41.25 37.89 1dub s ASN 286 CO 0.18 -0.34 0.91 -0.36 -3.04 0.00 0.00 177.10 174.45 1dub s PHE 287 N 0.95 3.42 -0.03 0.43 0.08 -1.26 -4.95 117.98 116.62 1dub s PHE 287 Ca 0.06 1.39 0.04 0.00 0.12 0.00 0.00 56.93 58.55 1dub s PHE 287 Cb -0.19 -2.72 0.07 0.00 -0.57 0.00 0.00 43.02 39.61 1dub s PHE 287 CO -0.07 -0.22 0.91 1.63 -0.10 0.00 0.00 175.22 177.37 1dub n LYS 288 N -1.22 0.77 -3.82 0.44 5.02 -1.26 -5.00 118.16 113.09 1dub n LYS 288 Ca 0.06 -1.33 -0.24 0.00 -2.02 0.00 0.00 58.31 54.78 1dub n LYS 288 Cb 0.54 -0.81 0.01 0.00 -0.02 0.00 0.00 35.03 34.75 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 -0.42 -1.17 0.00 4.39 8.00 -1.26 -5.01 116.55 121.08 1dub n ASP 289 Ca 0.04 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1dub n ASP 289 Cb 0.57 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 38.01 1dub n ASP 289 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38