#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d0i s ARG 2 N 0.00 4.80 0.63 0.54 0.52 -1.26 -5.06 118.95 119.13 1d0i s ARG 2 Ca 0.00 1.44 -0.07 0.00 -0.52 0.00 0.00 55.73 56.58 1d0i s ARG 2 Cb 0.00 -3.22 0.02 0.00 0.52 0.00 0.00 34.95 32.27 1d0i s ARG 2 CO 0.00 0.49 0.96 -1.54 0.02 0.00 0.00 175.30 175.23 1d0i s SER 3 N -1.23 5.44 0.47 0.23 1.04 -1.26 -4.76 113.70 113.62 1d0i s SER 3 Ca 0.42 0.76 0.12 0.00 0.48 0.00 0.00 55.95 57.74 1d0i s SER 3 Cb -0.25 -1.66 1.08 0.00 0.10 0.00 0.00 66.02 65.28 1d0i s SER 3 CO 0.31 -1.21 2.09 -0.07 0.98 0.00 0.00 173.24 175.34 1d0i h LEU 4 N -0.34 0.24 -0.87 2.42 4.07 -1.89 -1.99 115.31 116.94 1d0i h LEU 4 Ca -0.45 -0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.39 1d0i h LEU 4 Cb 1.26 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.94 1d0i h LEU 4 CO 0.61 0.17 -0.38 0.00 -1.08 0.00 0.00 178.44 177.76 1d0i h ALA 5 N 1.85 1.04 0.00 1.53 0.00 -1.91 -3.26 119.26 118.52 1d0i h ALA 5 Ca 0.10 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1d0i h ALA 5 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1d0i h ALA 5 CO -0.02 0.60 -0.85 -0.91 0.00 0.00 0.00 179.25 178.07 1d0i h ASN 6 N 0.31 0.00 -5.05 0.00 -0.26 -1.74 -3.48 115.58 105.37 1d0i h ASN 6 Ca 0.03 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.71 1d0i h ASN 6 Cb 0.81 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 37.92 1d0i h ASN 6 CO 0.06 0.35 -0.07 0.00 -1.06 0.00 0.00 177.43 176.71 1d0i s ALA 7 N -3.07 -1.03 0.68 -0.83 0.00 -1.14 -4.99 121.76 111.38 1d0i s ALA 7 Ca 0.01 0.23 -0.13 0.00 0.00 0.00 0.00 51.96 52.07 1d0i s ALA 7 Cb 0.08 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.68 1d0i s ALA 7 CO 0.77 -0.53 1.08 -1.25 0.00 0.00 0.00 175.76 175.83 1d0i s PRO 8 N -2.91 2.82 -0.03 0.00 0.04 -1.26 -4.18 135.00 129.48 1d0i s PRO 8 Ca -0.03 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 1d0i s PRO 8 Cb 0.00 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1d0i s PRO 8 CO -0.06 -1.21 0.94 0.42 0.04 0.00 0.00 177.00 177.14 1d0i s ILE 9 N -2.64 4.88 -0.02 0.56 1.01 0.11 -1.71 121.20 123.38 1d0i s ILE 9 Ca 0.63 1.96 -0.26 0.00 0.00 0.00 0.00 60.65 62.98 1d0i s ILE 9 Cb -0.17 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 1d0i s ILE 9 CO 0.47 0.15 0.81 -0.32 0.00 0.00 0.00 174.94 176.05 1d0i s MET 10 N 1.14 4.49 -0.30 2.79 -2.45 -0.61 -0.16 119.30 124.20 1d0i s MET 10 Ca 0.49 1.11 0.00 0.00 -1.25 0.00 0.00 55.69 56.04 1d0i s MET 10 Cb -0.20 -3.44 0.06 0.00 1.25 0.00 0.00 34.83 32.50 1d0i s MET 10 CO 0.25 0.06 -0.01 0.42 1.05 0.00 0.00 175.02 176.78 1d0i s ILE 11 N 0.74 2.68 -0.19 10.11 -1.09 -0.12 -1.19 121.20 132.14 1d0i s ILE 11 Ca 0.43 -1.63 -0.08 0.00 -2.23 0.00 0.00 60.65 57.15 1d0i s ILE 11 Cb -0.19 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.02 1d0i s ILE 11 CO 0.22 -0.18 0.07 -0.76 -1.23 0.00 0.00 174.94 173.06 1d0i s LEU 12 N 1.16 3.82 -0.13 2.97 1.43 0.11 -1.21 118.68 126.82 1d0i s LEU 12 Ca -0.04 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1d0i s LEU 12 Cb -0.20 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.05 1d0i s LEU 12 CO -0.03 0.15 -0.19 0.20 0.23 0.00 0.00 176.35 176.71 1d0i s ASN 13 N 0.51 3.44 1.01 2.29 0.01 -0.33 -0.93 114.94 120.94 1d0i s ASN 13 Ca 0.04 -0.50 -0.02 0.00 -0.71 0.00 0.00 52.86 51.66 1d0i s ASN 13 Cb -0.13 -1.51 0.03 0.00 0.41 0.00 0.00 41.25 40.06 1d0i s ASN 13 CO 0.01 0.11 0.15 0.61 -1.51 0.00 0.00 177.10 176.47 1d0i n GLY 14 N 3.85 -1.64 3.68 0.66 0.00 0.06 -1.39 105.19 110.41 1d0i n GLY 14 Ca -0.19 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 1d0i n GLY 14 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d0i n PRO 15 N -1.54 1.25 -0.03 1.61 -0.04 -1.09 -3.18 135.00 131.99 1d0i n PRO 15 Ca 0.02 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 1d0i n PRO 15 Cb 0.07 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 1d0i n PRO 15 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1d0i n ASN 16 N -0.97 0.00 0.26 3.54 3.02 -1.26 -4.59 115.26 115.27 1d0i n ASN 16 Ca 0.13 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.82 1d0i n ASN 16 Cb 0.46 -0.91 0.68 0.00 -0.61 0.00 0.00 39.78 39.39 1d0i n ASN 16 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1d0i h LEU 17 N 0.00 0.00 -2.08 3.41 3.38 -1.92 -2.08 115.31 116.02 1d0i h LEU 17 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1d0i h LEU 17 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1d0i h LEU 17 CO 0.00 0.10 0.26 -0.55 0.09 0.00 0.00 178.44 178.34 1d0i h ASN 18 N 0.00 0.00 -0.29 -0.43 -1.07 -1.87 -2.00 115.58 109.92 1d0i h ASN 18 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1d0i h ASN 18 Cb 0.49 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.74 1d0i h ASN 18 CO 0.01 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.69 1d0i n LEU 19 N -4.14 1.74 -4.68 6.14 4.77 -0.78 -4.73 117.00 115.32 1d0i n LEU 19 Ca 0.05 -0.83 -0.45 0.00 -0.03 0.00 0.00 56.01 54.75 1d0i n LEU 19 Cb 0.42 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1d0i n LEU 19 CO 0.32 0.42 1.07 -0.11 -1.33 0.00 0.00 177.39 177.76 1d0i n LEU 20 N 0.42 3.20 0.00 2.23 7.94 -0.75 -1.21 117.00 128.83 1d0i n LEU 20 Ca 0.13 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.16 1d0i n LEU 20 Cb 0.29 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 42.80 1d0i n LEU 20 CO 0.09 -0.39 0.00 0.61 -1.11 0.00 0.00 177.39 176.59 1d0i n GLY 21 N 2.44 2.88 0.10 -3.96 0.00 -1.07 -3.96 105.19 101.62 1d0i n GLY 21 Ca 0.13 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 1d0i n GLY 21 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1d0i h GLN 22 N 0.00 0.00 -5.50 1.61 4.20 -1.48 -3.45 115.11 110.49 1d0i h GLN 22 Ca 0.00 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.24 1d0i h GLN 22 Cb 0.00 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.64 1d0i h GLN 22 CO 0.00 0.79 -0.69 -0.98 -0.67 0.00 0.00 178.83 177.27 1d0i s ARG 23 N -2.87 1.46 -0.18 1.46 3.03 -1.25 -4.91 118.95 115.68 1d0i s ARG 23 Ca 0.02 -1.71 -0.01 0.00 2.03 0.00 0.00 55.73 56.06 1d0i s ARG 23 Cb 0.09 -1.11 0.00 0.00 -1.03 0.00 0.00 34.95 32.90 1d0i s ARG 23 CO 0.79 0.08 0.14 0.00 -1.13 0.00 0.00 175.30 175.18 1d0i n GLN 24 N -0.50 -0.37 0.27 3.89 -0.00 -1.26 -4.65 117.38 114.76 1d0i n GLN 24 Ca -0.06 0.19 0.15 0.00 -0.00 0.00 0.00 57.00 57.27 1d0i n GLN 24 Cb 0.62 -0.51 0.75 0.00 -0.00 0.00 0.00 30.24 31.10 1d0i n GLN 24 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1d0i h PRO 25 N 0.68 0.00 -0.34 2.61 0.13 -1.90 0.22 132.00 133.40 1d0i h PRO 25 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1d0i h PRO 25 Cb 0.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 1d0i h PRO 25 CO 0.08 0.09 0.22 0.93 -0.23 0.00 0.00 178.00 179.10 1d0i h GLU 26 N 0.00 0.45 0.00 0.86 3.07 -1.87 0.21 114.58 117.31 1d0i h GLU 26 Ca -0.00 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 58.65 1d0i h GLU 26 Cb 0.39 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 1d0i h GLU 26 CO 0.01 0.31 -0.99 0.82 -1.40 0.00 0.00 179.01 177.76 1d0i h ILE 27 N 0.46 1.09 -0.00 3.13 2.04 -1.78 -3.41 117.51 119.03 1d0i h ILE 27 Ca 0.12 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.78 1d0i h ILE 27 Cb -0.04 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1d0i h ILE 27 CO -0.03 0.37 -0.54 -1.22 0.00 0.00 0.00 178.15 176.73 1d0i n TYR 28 N -4.47 0.00 -0.19 1.37 4.01 0.73 -4.50 117.16 114.11 1d0i n TYR 28 Ca -0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 1d0i n TYR 28 Cb 0.64 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 1d0i n TYR 28 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1d0i n GLY 29 N 1.45 -2.70 0.28 2.72 0.00 0.75 -4.66 105.19 103.04 1d0i n GLY 29 Ca 0.07 -1.66 0.03 0.00 0.00 0.00 0.00 46.02 44.46 1d0i n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1d0i n SER 30 N -0.68 2.29 -4.77 1.61 3.41 -1.26 -4.20 113.62 110.01 1d0i n SER 30 Ca 0.00 -1.89 -0.39 0.00 -0.26 0.00 0.00 58.87 56.34 1d0i n SER 30 Cb 0.00 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 63.81 1d0i n SER 30 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1d0i s ASP 31 N -0.92 7.18 0.71 4.04 1.01 -1.26 -4.66 116.67 122.77 1d0i s ASP 31 Ca 0.10 2.09 -0.08 0.00 0.71 0.00 0.00 52.55 55.37 1d0i s ASP 31 Cb 0.05 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.43 1d0i s ASP 31 CO 0.07 -0.20 1.05 0.42 0.21 0.00 0.00 175.17 176.73 1d0i s THR 32 N -1.38 2.54 0.38 -1.27 -4.23 -1.26 -2.61 115.64 107.83 1d0i s THR 32 Ca 0.49 -0.08 0.12 0.00 -1.18 0.00 0.00 61.69 61.04 1d0i s THR 32 Cb -0.26 -3.12 0.12 0.00 1.34 0.00 0.00 72.50 70.57 1d0i s THR 32 CO 0.33 -0.14 1.87 0.25 -0.54 0.00 0.00 174.62 176.39 1d0i h LEU 33 N -0.66 0.06 -0.81 4.79 5.85 -1.81 -1.82 115.31 120.92 1d0i h LEU 33 Ca -0.45 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 1d0i h LEU 33 Cb 1.30 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1d0i h LEU 33 CO 0.62 0.36 0.05 0.00 -0.34 0.00 0.00 178.44 179.13 1d0i h ALA 34 N 1.65 1.01 -0.65 1.25 0.00 -1.94 -0.11 119.26 120.47 1d0i h ALA 34 Ca 0.01 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1d0i h ALA 34 Cb 0.55 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1d0i h ALA 34 CO 0.04 0.62 0.41 -0.44 0.00 0.00 0.00 179.25 179.87 1d0i h ASP 35 N 0.89 0.67 -0.45 0.00 3.32 -1.73 -1.66 116.42 117.46 1d0i h ASP 35 Ca 0.17 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1d0i h ASP 35 Cb 0.45 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1d0i h ASP 35 CO 0.02 0.47 0.20 0.58 -1.72 0.00 0.00 179.24 178.79 1d0i h VAL 36 N 0.80 1.19 -0.49 -1.35 2.07 -0.74 -0.93 116.25 116.81 1d0i h VAL 36 Ca 0.26 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.27 1d0i h VAL 36 Cb -0.00 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1d0i h VAL 36 CO -0.09 0.21 0.22 -0.08 0.02 0.00 0.00 177.57 177.85 1d0i h GLU 37 N 0.58 0.43 -0.68 1.57 4.81 -0.67 0.09 114.58 120.71 1d0i h GLU 37 Ca 0.15 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1d0i h GLU 37 Cb 0.15 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1d0i h GLU 37 CO -0.02 0.28 0.24 0.00 -0.73 0.00 0.00 179.01 178.79 1d0i h ALA 38 N 1.28 1.15 -0.94 2.92 0.00 -1.11 0.52 119.26 123.08 1d0i h ALA 38 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1d0i h ALA 38 Cb 0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1d0i h ALA 38 CO -0.18 0.60 0.59 -0.07 0.00 0.00 0.00 179.25 180.19 1d0i h LEU 39 N 0.99 1.11 -0.49 0.00 3.38 -0.63 -2.20 115.31 117.47 1d0i h LEU 39 Ca 0.23 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 1d0i h LEU 39 Cb 0.23 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1d0i h LEU 39 CO -0.01 0.83 -0.40 0.00 0.09 0.00 0.00 178.44 178.95 1d0i h VAL 41 N 0.66 0.55 -0.87 0.00 2.07 -0.45 -1.07 116.25 117.14 1d0i h VAL 41 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1d0i h VAL 41 Cb 0.97 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1d0i h VAL 41 CO 0.09 0.00 0.52 0.11 0.02 0.00 0.00 177.57 178.31 1d0i h LYS 42 N -0.48 1.19 -0.39 1.57 1.57 -1.37 -1.09 116.57 117.56 1d0i h LYS 42 Ca -0.01 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1d0i h LYS 42 Cb 0.43 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1d0i h LYS 42 CO -0.02 0.84 0.16 0.00 -0.57 0.00 0.00 179.45 179.85 1d0i h ALA 43 N 1.28 0.50 -0.64 3.86 0.00 -0.74 -2.38 119.26 121.15 1d0i h ALA 43 Ca 0.31 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1d0i h ALA 43 Cb -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1d0i h ALA 43 CO -0.06 0.10 0.16 0.00 0.00 0.00 0.00 179.25 179.45 1d0i h ALA 44 N 1.00 0.84 0.00 0.00 0.00 -1.08 -3.09 119.26 116.92 1d0i h ALA 44 Ca 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1d0i h ALA 44 Cb 0.18 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1d0i h ALA 44 CO -0.01 0.55 -0.06 0.00 0.00 0.00 0.00 179.25 179.73 1d0i h ALA 45 N 1.06 1.88 0.00 0.00 0.00 -0.89 0.10 119.26 121.41 1d0i h ALA 45 Ca 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1d0i h ALA 45 Cb 0.35 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1d0i h ALA 45 CO 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.30 1d0i h ALA 46 N 1.94 1.23 -0.50 0.00 0.00 -1.35 -0.60 119.26 119.99 1d0i h ALA 46 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1d0i h ALA 46 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1d0i h ALA 46 CO 0.01 0.03 0.00 0.72 0.00 0.00 0.00 179.25 180.01 1d0i n HIS 47 N -3.46 0.66 -0.85 0.00 8.25 0.20 -4.96 115.22 115.06 1d0i n HIS 47 Ca -0.02 -0.48 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 1d0i n HIS 47 Cb 0.13 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1d0i n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1d0i n GLY 48 N 1.01 0.74 4.03 -1.41 0.00 -0.23 -4.90 105.19 104.42 1d0i n GLY 48 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1d0i n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1d0i s GLY 49 N -1.93 1.79 0.31 -0.02 0.00 -0.27 -4.53 107.32 102.67 1d0i s GLY 49 Ca 0.00 -2.03 0.03 0.00 0.00 0.00 0.00 44.72 42.72 1d0i s GLY 49 CO 0.00 -1.66 0.08 -0.51 0.00 0.00 0.00 173.10 171.02 1d0i s THR 50 N -2.61 0.87 0.14 0.90 -4.23 -1.26 -3.02 115.64 106.43 1d0i s THR 50 Ca 0.60 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.16 1d0i s THR 50 Cb -0.06 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 1d0i s THR 50 CO 0.37 0.00 -0.13 0.68 -0.54 0.00 0.00 174.62 175.00 1d0i s VAL 51 N -3.47 1.36 -0.31 2.29 -7.23 -1.26 0.05 120.40 111.82 1d0i s VAL 51 Ca 0.36 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1d0i s VAL 51 Cb 0.08 -1.67 0.09 0.00 0.56 0.00 0.00 36.38 35.44 1d0i s VAL 51 CO 0.15 -0.51 0.03 -0.62 -0.31 0.00 0.00 175.10 173.84 1d0i s ASP 52 N -2.72 4.40 -0.24 4.85 -1.08 0.78 -4.82 116.67 117.84 1d0i s ASP 52 Ca 0.12 -1.79 -0.08 0.00 -0.52 0.00 0.00 52.55 50.28 1d0i s ASP 52 Cb -0.03 -1.35 -0.04 0.00 -1.46 0.00 0.00 42.92 40.04 1d0i s ASP 52 CO 0.03 -0.35 0.10 0.12 0.52 0.00 0.00 175.17 175.59 1d0i s PHE 53 N 1.18 3.16 0.07 -5.34 2.19 -1.26 -0.94 117.98 117.04 1d0i s PHE 53 Ca 0.06 -0.16 0.01 0.00 0.33 0.00 0.00 56.93 57.18 1d0i s PHE 53 Cb -0.19 -2.23 -0.04 0.00 -1.31 0.00 0.00 43.02 39.26 1d0i s PHE 53 CO -0.12 -0.18 -0.06 1.03 1.83 0.00 0.00 175.22 177.72 1d0i s ARG 54 N 1.33 0.70 -0.08 10.12 0.52 -0.35 -4.98 118.95 126.21 1d0i s ARG 54 Ca 0.06 -1.12 -0.07 0.00 -0.52 0.00 0.00 55.73 54.07 1d0i s ARG 54 Cb -0.15 -0.17 0.02 0.00 0.52 0.00 0.00 34.95 35.17 1d0i s ARG 54 CO 0.05 -0.01 0.21 -1.14 0.02 0.00 0.00 175.30 174.43 1d0i s GLN 55 N -3.08 0.25 -0.01 3.54 -0.44 -1.26 -1.19 119.66 117.48 1d0i s GLN 55 Ca 0.04 0.29 -0.11 0.00 -2.50 0.00 0.00 55.36 53.07 1d0i s GLN 55 Cb 0.00 0.12 0.01 0.00 -1.64 0.00 0.00 33.01 31.51 1d0i s GLN 55 CO -0.04 -0.03 0.23 0.45 0.50 0.00 0.00 175.29 176.40 1d0i s SER 56 N 0.10 -0.09 0.00 6.67 0.15 -0.49 -4.97 113.70 115.07 1d0i s SER 56 Ca -0.00 -0.05 0.27 0.00 0.70 0.00 0.00 55.95 56.86 1d0i s SER 56 Cb -0.02 0.26 0.75 0.00 -1.71 0.00 0.00 66.02 65.30 1d0i s SER 56 CO 0.00 -0.42 1.57 0.59 1.20 0.00 0.00 173.24 176.19 1d0i n ASN 57 N 1.34 1.98 -4.51 5.45 3.02 -1.26 -2.67 115.26 118.60 1d0i n ASN 57 Ca -0.22 -1.65 -0.37 0.00 -0.03 0.00 0.00 54.58 52.31 1d0i n ASN 57 Cb 0.56 0.01 -0.12 0.00 -0.61 0.00 0.00 39.78 39.62 1d0i n ASN 57 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1d0i s HIS 58 N -2.02 3.16 0.16 3.10 3.76 -1.26 -4.70 115.29 117.49 1d0i s HIS 58 Ca 0.34 -0.18 -0.16 0.00 -0.15 0.00 0.00 55.06 54.91 1d0i s HIS 58 Cb 0.21 -2.32 0.05 0.00 1.11 0.00 0.00 32.58 31.63 1d0i s HIS 58 CO 0.33 -0.28 1.77 1.49 -0.85 0.00 0.00 174.74 177.21 1d0i h GLU 59 N 8.31 0.35 -0.12 1.40 4.81 -2.01 -2.19 114.58 125.13 1d0i h GLU 59 Ca -0.36 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.83 1d0i h GLU 59 Cb 1.18 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1d0i h GLU 59 CO 0.57 0.23 -0.01 0.78 -0.73 0.00 0.00 179.01 179.85 1d0i h GLY 60 N 0.36 0.19 1.21 1.92 0.00 -1.99 -1.77 103.07 102.99 1d0i h GLY 60 Ca 0.16 -0.09 -0.18 0.00 0.00 0.00 0.00 47.33 47.23 1d0i h GLY 60 CO -0.13 0.08 -0.51 -2.09 0.00 0.00 0.00 176.54 173.89 1d0i h GLU 61 N 0.17 0.84 -0.70 4.80 4.81 -1.85 -0.33 114.58 122.32 1d0i h GLU 61 Ca 0.04 -0.51 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 1d0i h GLU 61 Cb 0.14 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1d0i h GLU 61 CO 0.00 1.14 0.30 -0.07 -0.73 0.00 0.00 179.01 179.65 1d0i h LEU 62 N 0.65 0.93 -0.11 1.64 3.38 -1.07 0.16 115.31 120.88 1d0i h LEU 62 Ca 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1d0i h LEU 62 Cb 1.11 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1d0i h LEU 62 CO 0.11 0.81 0.02 0.58 0.09 0.00 0.00 178.44 180.06 1d0i h VAL 63 N 1.00 1.21 -0.66 1.22 2.07 -1.11 0.11 116.25 120.10 1d0i h VAL 63 Ca 0.24 -0.66 0.12 0.00 0.82 0.00 0.00 66.70 67.22 1d0i h VAL 63 Cb 0.16 1.44 -0.09 0.00 -1.52 0.00 0.00 31.29 31.28 1d0i h VAL 63 CO -0.02 0.19 0.20 0.44 0.02 0.00 0.00 177.57 178.40 1d0i h ASP 64 N -0.04 0.12 -0.16 0.57 3.32 -0.41 -1.35 116.42 118.48 1d0i h ASP 64 Ca 0.03 0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1d0i h ASP 64 Cb 0.28 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1d0i h ASP 64 CO 0.00 0.05 -0.27 -0.50 -1.72 0.00 0.00 179.24 176.81 1d0i h TRP 65 N 0.34 0.72 -0.56 4.55 6.55 -0.44 -2.30 115.95 124.81 1d0i h TRP 65 Ca 0.35 -0.17 -0.05 0.00 0.95 0.00 0.00 58.89 59.97 1d0i h TRP 65 Cb 0.52 -0.17 -0.03 0.00 -0.86 0.00 0.00 29.16 28.62 1d0i h TRP 65 CO -0.21 0.83 0.13 0.82 -1.05 0.00 0.00 178.44 178.96 1d0i h ILE 66 N 0.54 1.23 -1.00 1.49 2.04 0.15 -2.16 117.51 119.80 1d0i h ILE 66 Ca 0.07 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.10 1d0i h ILE 66 Cb 0.75 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 1d0i h ILE 66 CO 0.06 0.31 0.66 0.45 0.00 0.00 0.00 178.15 179.63 1d0i h HIS 67 N 0.83 1.26 -0.37 1.37 3.86 -0.81 -2.05 115.15 119.24 1d0i h HIS 67 Ca 0.18 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1d0i h HIS 67 Cb 0.31 -0.43 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 1d0i h HIS 67 CO 0.02 0.79 0.11 1.49 0.86 0.00 0.00 177.93 181.20 1d0i h GLU 68 N 1.35 0.54 -0.28 2.45 4.81 -0.88 -2.96 114.58 119.62 1d0i h GLU 68 Ca 0.37 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.39 1d0i h GLU 68 Cb -0.15 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1d0i h GLU 68 CO -0.08 0.48 -0.34 0.00 -0.73 0.00 0.00 179.01 178.34 1d0i h ALA 69 N 1.59 0.88 -0.93 2.92 0.00 -0.85 -1.65 119.26 121.22 1d0i h ALA 69 Ca 0.13 -0.41 0.18 0.00 0.00 0.00 0.00 54.91 54.80 1d0i h ALA 69 Cb 0.18 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1d0i h ALA 69 CO -0.01 0.63 0.60 0.00 0.00 0.00 0.00 179.25 180.47 1d0i h ARG 70 N 0.52 0.60 0.01 0.00 3.08 -1.31 -1.75 114.38 115.52 1d0i h ARG 70 Ca 0.06 -0.04 -0.33 0.00 0.07 0.00 0.00 59.98 59.74 1d0i h ARG 70 Cb 0.83 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 1d0i h ARG 70 CO 0.07 0.40 -1.99 1.28 -1.07 0.00 0.00 179.97 178.66 1d0i n LEU 71 N -4.60 0.84 -0.02 3.04 4.77 -1.10 -4.68 117.00 115.25 1d0i n LEU 71 Ca 0.20 0.24 0.04 0.00 -0.03 0.00 0.00 56.01 56.46 1d0i n LEU 71 Cb 0.58 0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.75 1d0i n LEU 71 CO 0.28 0.49 0.00 0.59 -1.33 0.00 0.00 177.39 177.42 1d0i n ASN 72 N -3.00 0.45 -4.38 -1.43 3.02 -0.64 -5.07 115.26 104.21 1d0i n ASN 72 Ca -0.25 -0.73 -0.19 0.00 -0.03 0.00 0.00 54.58 53.39 1d0i n ASN 72 Cb 1.08 0.94 -0.10 0.00 -0.61 0.00 0.00 39.78 41.09 1d0i n ASN 72 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1d0i s HIS 73 N -1.69 1.74 -1.80 3.10 3.76 -0.69 -4.42 115.29 115.30 1d0i s HIS 73 Ca 0.03 -0.91 0.24 0.00 -0.15 0.00 0.00 55.06 54.28 1d0i s HIS 73 Cb 0.06 -1.05 0.29 0.00 1.11 0.00 0.00 32.58 32.99 1d0i s HIS 73 CO 0.31 0.01 1.27 0.00 -0.85 0.00 0.00 174.74 175.49 1d0i n GLY 75 N 1.40 -0.03 2.89 0.00 0.00 -1.26 -4.42 105.19 103.77 1d0i n GLY 75 Ca 0.10 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 1d0i n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d0i s ILE 76 N -2.00 0.76 -0.30 -0.61 1.01 0.30 -1.58 121.20 118.78 1d0i s ILE 76 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 1d0i s ILE 76 Cb 0.00 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 1d0i s ILE 76 CO 0.00 0.30 0.26 -0.69 0.00 0.00 0.00 174.94 174.81 1d0i s VAL 77 N 1.33 5.26 -0.06 2.92 1.01 -0.33 -1.33 120.40 129.20 1d0i s VAL 77 Ca -0.04 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1d0i s VAL 77 Cb -0.14 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1d0i s VAL 77 CO -0.03 0.13 -0.14 -0.51 0.00 0.00 0.00 175.10 174.55 1d0i s ILE 78 N 1.86 1.23 -0.47 2.22 2.07 0.17 0.07 121.20 128.35 1d0i s ILE 78 Ca 0.09 -0.55 -0.04 0.00 -1.41 0.00 0.00 60.65 58.74 1d0i s ILE 78 Cb -0.16 -1.11 0.12 0.00 0.13 0.00 0.00 42.46 41.44 1d0i s ILE 78 CO 0.11 0.37 0.28 0.21 -1.91 0.00 0.00 174.94 174.01 1d0i s ASN 79 N 0.52 5.32 0.02 4.50 2.47 -0.10 -0.90 114.94 126.77 1d0i s ASN 79 Ca -0.13 -2.22 0.21 0.00 0.42 0.00 0.00 52.86 51.14 1d0i s ASN 79 Cb -0.15 -1.86 0.88 0.00 -1.45 0.00 0.00 41.25 38.66 1d0i s ASN 79 CO 0.04 -0.52 1.66 -2.65 -3.72 0.00 0.00 177.10 171.91 1d0i n PRO 80 N 4.36 0.02 0.00 0.43 -0.02 -1.26 -0.76 135.00 137.77 1d0i n PRO 80 Ca -0.00 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1d0i n PRO 80 Cb 0.40 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 1d0i n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d0i n ALA 81 N -1.52 0.00 0.03 3.55 0.00 -1.26 -1.70 120.51 119.60 1d0i n ALA 81 Ca 0.05 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.68 1d0i n ALA 81 Cb 0.25 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.39 1d0i n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d0i h ALA 82 N -0.75 2.44 0.00 0.00 0.00 -1.93 -0.60 119.26 118.42 1d0i h ALA 82 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1d0i h ALA 82 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1d0i h ALA 82 CO 0.00 -0.60 0.00 0.66 0.00 0.00 0.00 179.25 179.31 1d0i n TYR 83 N -4.36 0.34 -0.34 0.00 4.01 -0.69 -2.19 117.16 113.93 1d0i n TYR 83 Ca 0.09 0.13 0.03 0.00 -0.16 0.00 0.00 57.90 57.99 1d0i n TYR 83 Cb 0.56 -0.71 0.18 0.00 -0.31 0.00 0.00 39.34 39.06 1d0i n TYR 83 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1d0i h SER 84 N 0.00 0.89 1.76 7.72 0.02 -1.17 0.25 113.55 123.02 1d0i h SER 84 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1d0i h SER 84 Cb 0.32 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1d0i h SER 84 CO 0.00 0.54 -0.15 0.45 -1.14 0.00 0.00 176.83 176.52 1d0i h HIS 85 N 1.01 0.00 0.00 3.45 3.86 -1.58 -0.39 115.15 121.50 1d0i h HIS 85 Ca 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 1d0i h HIS 85 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1d0i h HIS 85 CO -0.02 0.00 -0.42 0.25 0.86 0.00 0.00 177.93 178.60 1d0i n THR 86 N -2.91 0.00 -3.40 2.45 -2.24 -0.99 -4.82 114.28 102.38 1d0i n THR 86 Ca 0.04 -0.23 -0.44 0.00 -2.27 0.00 0.00 64.05 61.15 1d0i n THR 86 Cb 0.52 0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 69.42 1d0i n THR 86 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1d0i s SER 87 N -1.29 6.16 0.30 3.42 0.15 0.04 -4.81 113.70 117.66 1d0i s SER 87 Ca 0.00 -2.10 0.06 0.00 0.70 0.00 0.00 55.95 54.61 1d0i s SER 87 Cb 0.00 -2.14 0.48 0.00 -1.71 0.00 0.00 66.02 62.64 1d0i s SER 87 CO 0.00 -0.72 1.72 0.58 1.20 0.00 0.00 173.24 176.02 1d0i h VAL 88 N 5.64 1.29 -0.49 4.45 2.07 -1.94 -2.91 116.25 124.36 1d0i h VAL 88 Ca -0.16 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1d0i h VAL 88 Cb 1.07 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 1d0i h VAL 88 CO 0.91 0.42 0.32 0.00 0.02 0.00 0.00 177.57 179.24 1d0i h ALA 89 N 1.38 0.62 -0.38 1.67 0.00 -1.97 -0.00 119.26 120.58 1d0i h ALA 89 Ca 0.03 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1d0i h ALA 89 Cb 0.75 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1d0i h ALA 89 CO 0.06 0.07 -0.22 0.82 0.00 0.00 0.00 179.25 179.98 1d0i h ILE 90 N 0.66 1.27 -0.38 0.00 2.04 -1.89 -1.54 117.51 117.67 1d0i h ILE 90 Ca 0.18 -1.32 0.06 0.00 1.00 0.00 0.00 64.86 64.78 1d0i h ILE 90 Cb -0.06 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1d0i h ILE 90 CO -0.04 0.44 0.06 0.25 0.00 0.00 0.00 178.15 178.86 1d0i h LEU 91 N 0.65 -0.02 -0.88 1.44 5.85 -1.26 -1.23 115.31 119.87 1d0i h LEU 91 Ca 0.09 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 1d0i h LEU 91 Cb 0.72 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1d0i h LEU 91 CO 0.06 0.03 -0.02 0.44 -0.34 0.00 0.00 178.44 178.60 1d0i h ASP 92 N 0.18 0.78 -0.26 1.25 3.32 -0.76 -0.50 116.42 120.43 1d0i h ASP 92 Ca 0.18 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1d0i h ASP 92 Cb 0.22 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1d0i h ASP 92 CO -0.25 0.86 0.14 0.00 -1.72 0.00 0.00 179.24 178.27 1d0i h ALA 93 N 1.23 0.33 -0.08 3.45 0.00 -0.94 -2.32 119.26 120.93 1d0i h ALA 93 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1d0i h ALA 93 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1d0i h ALA 93 CO 0.02 -0.14 -0.19 -0.07 0.00 0.00 0.00 179.25 178.87 1d0i h LEU 94 N 0.31 0.12 -0.26 0.00 3.38 -0.76 -1.88 115.31 116.22 1d0i h LEU 94 Ca 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1d0i h LEU 94 Cb 0.06 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1d0i h LEU 94 CO -0.02 0.33 0.00 0.59 0.09 0.00 0.00 178.44 179.43 1d0i n ASN 95 N -4.26 0.39 0.07 -0.43 3.02 -0.24 -2.97 115.26 110.84 1d0i n ASN 95 Ca -0.01 0.57 0.11 0.00 -0.03 0.00 0.00 54.58 55.22 1d0i n ASN 95 Cb 0.29 -0.66 0.45 0.00 -0.61 0.00 0.00 39.78 39.24 1d0i n ASN 95 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1d0i n THR 96 N -1.90 0.68 -3.75 3.41 -2.24 -0.71 -4.33 114.28 105.44 1d0i n THR 96 Ca 0.04 0.08 -0.30 0.00 -2.27 0.00 0.00 64.05 61.60 1d0i n THR 96 Cb 0.26 -0.88 -0.15 0.00 -2.10 0.00 0.00 70.33 67.47 1d0i n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d0i h ASP 98 N 7.98 0.49 1.04 0.00 3.32 -1.82 -3.09 116.42 124.34 1d0i h ASP 98 Ca -0.12 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1d0i h ASP 98 Cb 1.01 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1d0i h ASP 98 CO 0.47 0.35 0.00 0.61 -1.72 0.00 0.00 179.24 178.95 1d0i n GLY 99 N -1.24 -1.48 3.68 2.75 0.00 -1.26 -4.86 105.19 102.77 1d0i n GLY 99 Ca 0.04 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1d0i n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1d0i s LEU 100 N -3.38 4.28 0.19 0.99 2.96 -1.17 -4.97 118.68 117.57 1d0i s LEU 100 Ca 0.12 1.98 -0.30 0.00 -0.22 0.00 0.00 54.13 55.70 1d0i s LEU 100 Cb 0.16 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 43.21 1d0i s LEU 100 CO 0.51 -0.74 1.39 -2.84 -1.32 0.00 0.00 176.35 173.36 1d0i s PRO 101 N 2.88 4.32 -0.04 0.98 0.02 -1.26 -4.91 135.00 136.99 1d0i s PRO 101 Ca 0.62 2.16 0.01 0.00 0.02 0.00 0.00 61.00 63.81 1d0i s PRO 101 Cb -0.28 -3.18 0.02 0.00 0.02 0.00 0.00 34.50 31.08 1d0i s PRO 101 CO 0.23 -0.38 -0.06 0.08 -0.33 0.00 0.00 177.00 176.54 1d0i s VAL 102 N 0.42 0.62 -0.10 3.83 1.01 -1.26 -0.54 120.40 124.39 1d0i s VAL 102 Ca 0.61 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.40 1d0i s VAL 102 Cb -0.39 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1d0i s VAL 102 CO 0.37 0.23 -0.12 -0.69 0.00 0.00 0.00 175.10 174.89 1d0i s VAL 103 N 0.71 1.23 -0.05 2.92 1.01 -0.44 -0.65 120.40 125.13 1d0i s VAL 103 Ca -0.10 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 1d0i s VAL 103 Cb -0.13 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1d0i s VAL 103 CO 0.01 0.39 0.37 -0.70 0.00 0.00 0.00 175.10 175.17 1d0i s GLU 104 N 1.12 3.96 -0.06 2.72 2.12 -0.52 -0.65 118.70 127.39 1d0i s GLU 104 Ca -0.05 0.32 0.03 0.00 0.36 0.00 0.00 54.97 55.62 1d0i s GLU 104 Cb -0.14 -3.27 0.01 0.00 0.26 0.00 0.00 34.13 30.98 1d0i s GLU 104 CO -0.02 0.58 -0.13 0.08 -0.54 0.00 0.00 175.26 175.22 1d0i s VAL 105 N -0.66 1.20 -0.15 3.70 1.01 -0.08 -1.55 120.40 123.86 1d0i s VAL 105 Ca 0.22 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1d0i s VAL 105 Cb -0.15 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.16 1d0i s VAL 105 CO 0.11 0.36 -0.20 -1.00 0.00 0.00 0.00 175.10 174.37 1d0i s HIS 106 N 0.45 2.72 0.06 5.22 3.76 -0.11 -3.99 115.29 123.40 1d0i s HIS 106 Ca -0.11 -1.37 -0.21 0.00 -0.15 0.00 0.00 55.06 53.23 1d0i s HIS 106 Cb -0.14 -1.86 -0.12 0.00 1.11 0.00 0.00 32.58 31.57 1d0i s HIS 106 CO 0.03 -0.64 1.48 0.82 -0.85 0.00 0.00 174.74 175.58 1d0i h ILE 107 N 5.83 1.26 -4.05 0.60 2.04 -1.86 -1.40 117.51 119.92 1d0i h ILE 107 Ca -0.36 -0.87 -0.50 0.00 1.00 0.00 0.00 64.86 64.13 1d0i h ILE 107 Cb 1.18 1.54 0.05 0.00 -0.74 0.00 0.00 36.82 38.85 1d0i h ILE 107 CO 0.58 0.26 0.30 -0.94 0.00 0.00 0.00 178.15 178.34 1d0i s SER 108 N -5.79 6.18 -0.81 1.72 1.04 -1.26 -2.60 113.70 112.17 1d0i s SER 108 Ca -0.14 1.20 -0.22 0.00 0.48 0.00 0.00 55.95 57.27 1d0i s SER 108 Cb 0.06 -2.33 0.08 0.00 0.10 0.00 0.00 66.02 63.92 1d0i s SER 108 CO 0.72 -0.80 1.14 0.21 0.98 0.00 0.00 173.24 175.49 1d0i s ASN 109 N -4.17 6.35 0.53 7.02 3.84 -1.26 -2.06 114.94 125.19 1d0i s ASN 109 Ca 0.52 -1.29 0.25 0.00 0.21 0.00 0.00 52.86 52.55 1d0i s ASN 109 Cb -0.11 -2.46 1.46 0.00 -0.55 0.00 0.00 41.25 39.59 1d0i s ASN 109 CO 0.50 -1.41 2.12 0.16 -2.79 0.00 0.00 177.10 175.68 1d0i h ILE 110 N 6.08 0.70 0.00 -5.21 3.07 -1.92 -1.25 117.51 118.98 1d0i h ILE 110 Ca -0.08 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 65.97 1d0i h ILE 110 Cb 1.04 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 38.81 1d0i h ILE 110 CO 1.22 0.09 0.00 1.41 -1.05 0.00 0.00 178.15 179.82 1d0i n HIS 111 N -3.89 0.00 1.06 0.16 8.25 -1.26 -1.81 115.22 117.73 1d0i n HIS 111 Ca -0.02 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.55 1d0i n HIS 111 Cb 0.18 -0.45 0.10 0.00 1.12 0.00 0.00 29.99 30.94 1d0i n HIS 111 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1d0i n GLN 112 N -1.45 0.74 0.00 -0.41 6.02 -0.47 -4.97 117.38 116.84 1d0i n GLN 112 Ca 0.05 -0.56 0.00 0.00 -0.01 0.00 0.00 57.00 56.48 1d0i n GLN 112 Cb 0.19 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.96 1d0i n GLN 112 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1d0i n ARG 113 N -0.64 3.66 -1.82 -1.09 1.74 -0.75 -5.05 116.66 112.71 1d0i n ARG 113 Ca 0.09 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.80 1d0i n ARG 113 Cb 0.40 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.89 1d0i n ARG 113 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1d0i s GLU 114 N 3.55 2.68 0.40 5.56 8.01 -1.26 -4.86 118.70 132.77 1d0i s GLU 114 Ca 0.00 2.00 0.12 0.00 0.01 0.00 0.00 54.97 57.10 1d0i s GLU 114 Cb 0.00 -1.87 0.93 0.00 -4.31 0.00 0.00 34.13 28.88 1d0i s GLU 114 CO 0.00 -1.48 1.92 -1.35 0.01 0.00 0.00 175.26 174.36 1d0i h PRO 115 N 0.66 0.53 0.00 0.39 0.11 -1.96 0.25 132.00 131.98 1d0i h PRO 115 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1d0i h PRO 115 Cb 1.33 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1d0i h PRO 115 CO 0.54 0.35 0.00 0.27 -0.21 0.00 0.00 178.00 178.95 1d0i h PHE 116 N 0.55 0.00 -0.00 0.65 -5.15 -1.97 -2.23 116.94 108.79 1d0i h PHE 116 Ca 0.37 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.14 1d0i h PHE 116 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.84 1d0i h PHE 116 CO -0.00 0.00 -0.21 0.54 -2.00 0.00 0.00 178.31 176.64 1d0i n ARG 117 N -2.53 0.14 0.18 6.09 1.74 0.89 -4.23 116.66 118.94 1d0i n ARG 117 Ca 0.01 -0.05 0.04 0.00 -0.77 0.00 0.00 57.85 57.09 1d0i n ARG 117 Cb 0.25 -1.50 0.34 0.00 -1.02 0.00 0.00 32.46 30.53 1d0i n ARG 117 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1d0i h HIS 118 N 0.12 0.00 -3.06 -1.55 3.86 -1.42 -3.43 115.15 109.67 1d0i h HIS 118 Ca 0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.56 1d0i h HIS 118 Cb 0.47 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.82 1d0i h HIS 118 CO 0.00 0.40 -0.54 -1.58 0.86 0.00 0.00 177.93 177.07 1d0i s HIS 119 N -3.76 3.37 -0.13 2.45 5.65 -1.26 -4.89 115.29 116.72 1d0i s HIS 119 Ca -0.01 0.29 0.02 0.00 0.25 0.00 0.00 55.06 55.61 1d0i s HIS 119 Cb 0.12 -1.96 0.01 0.00 -1.18 0.00 0.00 32.58 29.57 1d0i s HIS 119 CO 0.70 0.46 -0.18 0.45 -0.65 0.00 0.00 174.74 175.52 1d0i s SER 120 N -0.46 2.79 0.27 9.88 0.15 -1.26 -4.05 113.70 121.01 1d0i s SER 120 Ca 0.10 -0.52 -0.03 0.00 0.70 0.00 0.00 55.95 56.21 1d0i s SER 120 Cb -0.12 -1.27 0.36 0.00 -1.71 0.00 0.00 66.02 63.28 1d0i s SER 120 CO 0.02 0.03 1.84 1.88 1.20 0.00 0.00 173.24 178.21 1d0i h TYR 121 N 7.53 0.96 0.00 3.44 0.05 -1.38 -3.08 116.97 124.49 1d0i h TYR 121 Ca -0.34 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.33 1d0i h TYR 121 Cb 1.17 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.61 1d0i h TYR 121 CO 0.47 0.75 -0.20 0.28 -1.05 0.00 0.00 178.16 178.41 1d0i h VAL 122 N 0.93 1.11 0.00 -2.88 2.07 -1.87 -3.10 116.25 112.51 1d0i h VAL 122 Ca 0.22 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1d0i h VAL 122 Cb 0.20 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1d0i h VAL 122 CO -0.02 0.19 0.00 0.28 0.02 0.00 0.00 177.57 178.05 1d0i h SER 123 N 0.00 0.00 1.44 0.57 0.02 -1.90 -0.55 113.55 113.13 1d0i h SER 123 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1d0i h SER 123 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1d0i h SER 123 CO 0.03 0.00 0.00 0.06 -1.14 0.00 0.00 176.83 175.78 1d0i h GLN 124 N 0.00 0.00 0.00 3.45 -0.00 -1.72 -3.32 115.11 113.52 1d0i h GLN 124 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.38 1d0i h GLN 124 Cb 0.26 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.69 1d0i h GLN 124 CO 0.00 0.00 -2.03 -2.13 -0.00 0.00 0.00 178.83 174.67 1d0i n ARG 125 N -2.38 0.71 -1.65 0.06 3.00 -0.31 -5.01 116.66 111.09 1d0i n ARG 125 Ca 0.05 0.08 -0.45 0.00 -0.00 0.00 0.00 57.85 57.53 1d0i n ARG 125 Cb 0.41 -1.37 -0.02 0.00 0.00 0.00 0.00 32.46 31.49 1d0i n ARG 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1d0i n ALA 126 N -2.93 0.57 -0.17 5.13 0.00 -0.63 -4.89 120.51 117.59 1d0i n ALA 126 Ca -0.30 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 1d0i n ALA 126 Cb 0.87 -2.18 0.01 0.00 0.00 0.00 0.00 19.45 18.15 1d0i n ALA 126 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1d0i h ASP 127 N 3.28 0.75 -4.74 0.00 3.32 -1.22 -3.45 116.42 114.35 1d0i h ASP 127 Ca -0.44 -0.22 -0.25 0.00 0.02 0.00 0.00 57.03 56.14 1d0i h ASP 127 Cb 1.30 -0.20 -0.19 0.00 0.22 0.00 0.00 39.33 40.46 1d0i h ASP 127 CO 0.69 0.78 -0.72 -0.83 -1.72 0.00 0.00 179.24 177.44 1d0i s GLY 128 N -3.19 0.58 -0.05 2.75 0.00 -1.23 -5.06 107.32 101.12 1d0i s GLY 128 Ca -0.13 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 43.64 1d0i s GLY 128 CO 0.79 -1.02 0.01 0.14 0.00 0.00 0.00 173.10 173.02 1d0i s VAL 129 N -2.13 0.22 -0.19 1.40 1.01 -1.26 -1.44 120.40 118.02 1d0i s VAL 129 Ca -0.03 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1d0i s VAL 129 Cb -0.05 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 35.98 1d0i s VAL 129 CO -0.02 0.20 -0.18 -0.69 0.00 0.00 0.00 175.10 174.42 1d0i s VAL 130 N 1.63 2.20 -0.01 2.92 1.01 -0.60 -5.00 120.40 122.56 1d0i s VAL 130 Ca -0.01 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1d0i s VAL 130 Cb -0.13 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1d0i s VAL 130 CO -0.03 0.51 -0.11 0.00 0.00 0.00 0.00 175.10 175.47 1d0i s ALA 131 N 1.31 0.94 -0.69 5.51 0.00 -1.26 -0.93 121.76 126.63 1d0i s ALA 131 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1d0i s ALA 131 Cb -0.13 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1d0i s ALA 131 CO -0.12 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1d0i n GLY 132 N 2.77 0.88 1.94 0.00 0.00 -0.53 -4.74 105.19 105.51 1d0i n GLY 132 Ca -0.14 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.28 1d0i n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d0i n GLY 134 N 0.42 0.67 0.28 0.00 0.00 -1.07 -2.80 105.19 102.68 1d0i n GLY 134 Ca 0.32 -0.85 0.16 0.00 0.00 0.00 0.00 46.02 45.65 1d0i n GLY 134 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1d0i h VAL 135 N 0.00 0.30 -0.33 1.61 -1.51 -1.89 -1.08 116.25 113.34 1d0i h VAL 135 Ca 0.00 -0.44 0.10 0.00 -1.23 0.00 0.00 66.70 65.13 1d0i h VAL 135 Cb 0.00 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.48 1d0i h VAL 135 CO 0.00 0.07 0.27 -0.61 -1.23 0.00 0.00 177.57 176.07 1d0i h GLN 136 N 0.00 0.00 -0.67 5.19 4.15 -1.97 -2.01 115.11 119.81 1d0i h GLN 136 Ca -0.00 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.54 1d0i h GLN 136 Cb 0.33 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 1d0i h GLN 136 CO 0.01 0.00 0.45 0.78 -1.93 0.00 0.00 178.83 178.14 1d0i h GLY 137 N 0.00 0.62 1.26 2.39 0.00 -1.02 -0.31 103.07 106.01 1d0i h GLY 137 Ca 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1d0i h GLY 137 CO -0.00 0.08 0.33 -0.97 0.00 0.00 0.00 176.54 175.98 1d0i h TYR 138 N 0.40 0.95 -0.46 5.60 0.05 -1.56 0.18 116.97 122.14 1d0i h TYR 138 Ca 0.32 -0.03 -0.07 0.00 0.05 0.00 0.00 58.73 59.00 1d0i h TYR 138 Cb 0.69 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 1d0i h TYR 138 CO -0.00 0.69 0.04 0.28 -1.05 0.00 0.00 178.16 178.12 1d0i h VAL 139 N 0.96 1.26 -0.89 -2.88 2.07 -1.20 -0.28 116.25 115.29 1d0i h VAL 139 Ca 0.24 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1d0i h VAL 139 Cb 0.09 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1d0i h VAL 139 CO -0.03 0.34 0.47 -0.26 0.02 0.00 0.00 177.57 178.12 1d0i h PHE 140 N 0.65 1.23 0.25 1.57 0.04 -1.13 0.33 116.94 119.88 1d0i h PHE 140 Ca 0.14 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 1d0i h PHE 140 Cb 0.45 -0.39 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1d0i h PHE 140 CO 0.03 0.86 -0.13 0.78 -0.60 0.00 0.00 178.31 179.25 1d0i h GLY 141 N 1.25 -0.37 0.71 -1.45 0.00 0.42 -0.76 103.07 102.88 1d0i h GLY 141 Ca 0.31 0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.82 1d0i h GLY 141 CO -0.05 -0.14 0.07 -2.08 0.00 0.00 0.00 176.54 174.35 1d0i h VAL 142 N -0.35 0.89 -0.77 4.60 2.07 -0.76 -1.57 116.25 120.35 1d0i h VAL 142 Ca -0.03 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.53 1d0i h VAL 142 Cb 0.28 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 1d0i h VAL 142 CO 0.05 0.03 0.40 -0.33 0.02 0.00 0.00 177.57 177.74 1d0i h GLU 143 N 0.19 0.63 -0.44 1.57 4.39 -0.77 -0.80 114.58 119.35 1d0i h GLU 143 Ca 0.13 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 1d0i h GLU 143 Cb 0.12 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1d0i h GLU 143 CO -0.16 0.42 0.11 -0.09 -1.16 0.00 0.00 179.01 178.13 1d0i h ARG 144 N 0.65 0.71 -0.77 2.33 9.65 -0.79 -1.32 114.38 124.83 1d0i h ARG 144 Ca 0.39 -0.17 -0.04 0.00 -1.10 0.00 0.00 59.98 59.05 1d0i h ARG 144 Cb 0.43 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 1d0i h ARG 144 CO -0.29 0.71 0.31 0.82 2.80 0.00 0.00 179.97 184.32 1d0i h ILE 145 N 0.58 1.25 -0.87 1.20 1.08 -0.79 -0.63 117.51 119.34 1d0i h ILE 145 Ca 0.14 -0.80 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 1d0i h ILE 145 Cb 0.32 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 34.35 1d0i h ILE 145 CO 0.00 0.33 0.48 0.00 -0.69 0.00 0.00 178.15 178.27 1d0i h ALA 146 N 1.22 1.22 -0.19 1.87 0.00 -0.87 0.48 119.26 122.98 1d0i h ALA 146 Ca 0.26 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1d0i h ALA 146 Cb 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1d0i h ALA 146 CO -0.02 0.64 -0.09 0.00 0.00 0.00 0.00 179.25 179.78 1d0i h ALA 147 N 1.32 0.27 -0.25 0.00 0.00 -0.70 -1.29 119.26 118.61 1d0i h ALA 147 Ca 0.31 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1d0i h ALA 147 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1d0i h ALA 147 CO -0.05 0.10 -0.43 -0.07 0.00 0.00 0.00 179.25 178.79 1d0i h LEU 148 N 0.10 0.66 -0.77 0.00 3.38 -0.49 -2.06 115.31 116.12 1d0i h LEU 148 Ca 0.04 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 1d0i h LEU 148 Cb 0.57 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1d0i h LEU 148 CO 0.03 1.00 -0.46 0.00 0.09 0.00 0.00 178.44 179.10 1d0i h ALA 149 N 1.02 0.93 0.05 1.53 0.00 0.05 -3.20 119.26 119.65 1d0i h ALA 149 Ca 0.04 -0.42 -0.25 0.00 0.00 0.00 0.00 54.91 54.28 1d0i h ALA 149 Cb 0.96 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1d0i h ALA 149 CO 0.09 0.58 -1.06 0.78 0.00 0.00 0.00 179.25 179.63 1d0i h GLY 150 N 2.20 0.41 2.00 0.00 0.00 -1.13 -3.24 103.07 103.32 1d0i h GLY 150 Ca -0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 47.33 46.43 1d0i h GLY 150 CO 0.06 0.73 -0.32 0.00 0.00 0.00 0.00 176.54 177.01 1d0i h ALA 151 N 0.67 0.88 0.00 3.60 0.00 -1.44 -3.51 119.26 119.46 1d0i h ALA 151 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1d0i h ALA 151 Cb 1.73 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1d0i h ALA 151 CO 0.18 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.25