#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 3.44 0.40 -0.52 3.00 -1.26 -5.12 118.95 118.88 1d0i s ARG 2 Ca 0.00 -0.76 0.07 0.00 0.00 0.00 0.00 55.73 55.04 1d0i s ARG 2 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 34.95 32.07 1d0i s ARG 2 CO 0.00 0.42 0.55 -1.54 0.00 0.00 0.00 175.30 174.73 1d0i s SER 3 N -3.98 5.77 0.49 0.23 1.04 -1.26 -4.74 113.70 111.24 1d0i s SER 3 Ca 0.34 -0.28 0.16 0.00 0.48 0.00 0.00 55.95 56.65 1d0i s SER 3 Cb -0.09 -0.93 1.16 0.00 0.10 0.00 0.00 66.02 66.26 1d0i s SER 3 CO 0.29 -0.65 2.08 -0.07 0.98 0.00 0.00 173.24 175.86 1d0i h LEU 4 N 0.70 0.00 -0.20 2.42 4.07 -1.90 -1.46 115.31 118.94 1d0i h LEU 4 Ca -0.43 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.45 1d0i h LEU 4 Cb 1.27 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.01 1d0i h LEU 4 CO 0.49 0.09 -0.19 0.00 -1.08 0.00 0.00 178.44 177.75 1d0i h ALA 5 N 1.91 0.30 0.00 1.53 0.00 -1.89 -3.35 119.26 117.76 1d0i h ALA 5 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1d0i h ALA 5 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1d0i h ALA 5 CO 0.01 0.22 -0.27 -0.91 0.00 0.00 0.00 179.25 178.29 1d0i h ASN 6 N 0.16 0.00 -5.00 0.00 2.35 -1.77 -3.48 115.58 107.84 1d0i h ASN 6 Ca 0.03 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 1d0i h ASN 6 Cb 0.72 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.91 1d0i h ASN 6 CO 0.05 0.00 0.07 0.00 -1.65 0.00 0.00 177.43 175.90 1d0i s ALA 7 N -3.24 -1.48 0.64 -0.83 0.00 -0.60 -4.93 121.76 111.31 1d0i s ALA 7 Ca 0.05 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 52.79 1d0i s ALA 7 Cb 0.07 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 1d0i s ALA 7 CO 0.70 -0.41 1.05 -1.25 0.00 0.00 0.00 175.76 175.84 1d0i s PRO 8 N -1.71 3.22 -0.13 0.00 0.04 -1.26 -4.28 135.00 130.88 1d0i s PRO 8 Ca -0.09 1.01 -0.22 0.00 0.04 0.00 0.00 61.00 61.74 1d0i s PRO 8 Cb -0.01 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1d0i s PRO 8 CO 0.04 -0.87 0.68 0.42 0.04 0.00 0.00 177.00 177.31 1d0i s ILE 9 N -2.83 5.03 -0.19 0.56 1.01 0.40 -1.04 121.20 124.14 1d0i s ILE 9 Ca 0.60 1.34 -0.28 0.00 0.00 0.00 0.00 60.65 62.30 1d0i s ILE 9 Cb -0.14 -4.00 -0.00 0.00 0.01 0.00 0.00 42.46 38.33 1d0i s ILE 9 CO 0.47 0.18 0.99 -0.32 0.00 0.00 0.00 174.94 176.26 1d0i s MET 10 N 1.36 4.31 -0.44 2.79 -2.45 -0.78 -0.05 119.30 124.03 1d0i s MET 10 Ca 0.34 1.30 -0.08 0.00 -1.25 0.00 0.00 55.69 56.00 1d0i s MET 10 Cb -0.17 -3.60 0.10 0.00 1.25 0.00 0.00 34.83 32.41 1d0i s MET 10 CO 0.14 -0.49 0.29 0.42 1.05 0.00 0.00 175.02 176.43 1d0i s ILE 11 N 2.68 4.03 -0.16 10.11 -1.09 0.16 -0.89 121.20 136.04 1d0i s ILE 11 Ca 0.44 -1.70 -0.08 0.00 -2.23 0.00 0.00 60.65 57.08 1d0i s ILE 11 Cb -0.16 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 1d0i s ILE 11 CO 0.11 -0.66 0.11 -0.76 -1.23 0.00 0.00 174.94 172.51 1d0i s LEU 12 N 1.34 4.15 -0.06 2.97 1.43 0.29 -0.88 118.68 127.92 1d0i s LEU 12 Ca 0.05 0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.46 1d0i s LEU 12 Cb -0.24 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1d0i s LEU 12 CO -0.00 0.27 -0.18 0.20 0.23 0.00 0.00 176.35 176.86 1d0i s ASN 13 N -0.17 2.29 0.45 2.29 0.01 0.03 -0.23 114.94 119.62 1d0i s ASN 13 Ca 0.10 -0.39 0.00 0.00 -0.71 0.00 0.00 52.86 51.86 1d0i s ASN 13 Cb -0.12 -0.84 0.00 0.00 0.41 0.00 0.00 41.25 40.70 1d0i s ASN 13 CO 0.01 0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.33 1d0i n GLY 14 N 3.40 0.22 3.75 0.66 0.00 0.17 -1.40 105.19 111.98 1d0i n GLY 14 Ca -0.20 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 1d0i n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1d0i s PRO 15 N -1.74 2.89 0.00 1.61 0.04 -1.10 -3.06 135.00 133.64 1d0i s PRO 15 Ca 0.00 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1d0i s PRO 15 Cb 0.00 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1d0i s PRO 15 CO 0.00 -1.31 0.00 0.09 0.04 0.00 0.00 177.00 175.82 1d0i n ASN 16 N -1.53 0.00 0.14 6.66 3.02 -1.26 -4.55 115.26 117.73 1d0i n ASN 16 Ca 0.13 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.81 1d0i n ASN 16 Cb 0.48 -0.83 0.49 0.00 -0.61 0.00 0.00 39.78 39.30 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 -2.11 3.41 3.38 -1.92 -1.71 115.31 116.36 1d0i h LEU 17 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 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 0.00 0.21 -0.55 0.09 0.00 0.00 178.44 178.19 1d0i h ASN 18 N 0.00 0.00 -0.24 -0.43 -1.07 -1.87 -1.57 115.58 110.40 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 0.47 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.72 1d0i h ASN 18 CO 0.00 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.68 1d0i n LEU 19 N -4.14 1.77 -4.60 6.14 4.77 -0.64 -4.77 117.00 115.53 1d0i n LEU 19 Ca 0.03 -0.79 -0.49 0.00 -0.03 0.00 0.00 56.01 54.72 1d0i n LEU 19 Cb 0.36 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1d0i n LEU 19 CO 0.32 0.40 0.84 -0.11 -1.33 0.00 0.00 177.39 177.50 1d0i n LEU 20 N 0.41 1.81 0.00 2.23 7.94 -0.59 -2.19 117.00 126.61 1d0i n LEU 20 Ca 0.15 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.18 1d0i n LEU 20 Cb 0.32 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.03 1d0i n LEU 20 CO 0.11 -1.07 0.00 0.61 -1.11 0.00 0.00 177.39 175.93 1d0i n GLY 21 N 2.29 2.62 0.07 -3.96 0.00 -1.12 -4.11 105.19 100.98 1d0i n GLY 21 Ca 0.16 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -6.05 1.61 4.20 -1.74 -3.43 115.11 109.71 1d0i h GLN 22 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1d0i h GLN 22 Cb 0.00 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 27.50 1d0i h GLN 22 CO 0.00 0.00 -0.85 -0.98 -0.67 0.00 0.00 178.83 176.33 1d0i s ARG 23 N -3.21 1.53 -0.42 1.46 1.04 -1.26 -4.94 118.95 113.15 1d0i s ARG 23 Ca 0.05 -0.84 -0.16 0.00 -1.04 0.00 0.00 55.73 53.74 1d0i s ARG 23 Cb 0.13 -1.56 0.02 0.00 -2.04 0.00 0.00 34.95 31.50 1d0i s ARG 23 CO 0.74 0.41 0.44 0.94 -0.04 0.00 0.00 175.30 177.80 1d0i n GLN 24 N 2.22 -1.22 0.11 3.89 -0.06 -1.26 -4.54 117.38 116.52 1d0i n GLN 24 Ca -0.16 0.78 0.12 0.00 -2.00 0.00 0.00 57.00 55.74 1d0i n GLN 24 Cb 0.53 -1.43 0.46 0.00 -4.06 0.00 0.00 30.24 25.73 1d0i n GLN 24 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1d0i n PRO 25 N -0.92 0.20 0.04 3.69 -0.04 -1.26 -0.19 135.00 136.52 1d0i n PRO 25 Ca -0.13 0.32 -0.12 0.00 -0.04 0.00 0.00 63.50 63.52 1d0i n PRO 25 Cb 0.48 -1.82 -0.01 0.00 -0.04 0.00 0.00 33.50 32.11 1d0i n PRO 25 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1d0i h GLU 26 N 0.00 0.49 0.11 0.54 3.07 -1.88 0.27 114.58 117.19 1d0i h GLU 26 Ca 0.00 -0.43 -0.25 0.00 -0.50 0.00 0.00 59.36 58.18 1d0i h GLU 26 Cb 0.50 0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1d0i h GLU 26 CO 0.00 1.07 -1.26 0.82 -1.40 0.00 0.00 179.01 178.24 1d0i h ILE 27 N 0.32 1.12 -0.00 3.13 2.04 -1.86 -3.41 117.51 118.85 1d0i h ILE 27 Ca -0.05 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.41 1d0i h ILE 27 Cb 1.39 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 40.26 1d0i h ILE 27 CO 0.14 0.68 -0.36 -1.22 0.00 0.00 0.00 178.15 177.40 1d0i n TYR 28 N -4.01 0.00 -2.55 1.37 4.01 0.73 -4.35 117.16 112.37 1d0i n TYR 28 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1d0i n TYR 28 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.89 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 1.10 -1.79 0.00 2.72 0.00 0.96 -4.69 105.19 103.49 1d0i n GLY 29 Ca 0.03 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 0.30 0.82 -4.78 1.61 3.41 -1.26 -4.11 113.62 109.61 1d0i n SER 30 Ca 0.00 -1.03 -0.34 0.00 -0.26 0.00 0.00 58.87 57.24 1d0i n SER 30 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 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 -0.03 5.46 0.53 4.04 1.01 -1.26 -4.62 116.67 121.79 1d0i s ASP 31 Ca 0.00 2.04 0.09 0.00 0.71 0.00 0.00 52.55 55.40 1d0i s ASP 31 Cb 0.00 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.43 1d0i s ASP 31 CO 0.00 -1.39 0.72 0.42 0.21 0.00 0.00 175.17 175.12 1d0i s THR 32 N -2.12 2.39 0.11 -1.27 -4.23 -1.26 -2.80 115.64 106.46 1d0i s THR 32 Ca 0.69 -1.01 0.25 0.00 -1.18 0.00 0.00 61.69 60.44 1d0i s THR 32 Cb -0.21 -2.40 0.25 0.00 1.34 0.00 0.00 72.50 71.48 1d0i s THR 32 CO 0.35 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.51 1d0i h LEU 33 N 0.33 0.00 -0.30 4.79 5.85 -1.82 -1.69 115.31 122.47 1d0i h LEU 33 Ca -0.33 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.20 1d0i h LEU 33 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1d0i h LEU 33 CO 0.42 0.20 -0.65 0.00 -0.34 0.00 0.00 178.44 178.08 1d0i h ALA 34 N 1.80 0.47 -0.46 1.25 0.00 -1.94 -1.51 119.26 118.87 1d0i h ALA 34 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1d0i h ALA 34 Cb 0.74 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1d0i h ALA 34 CO 0.03 0.69 0.30 -0.44 0.00 0.00 0.00 179.25 179.82 1d0i h ASP 35 N 0.54 0.53 -0.61 0.00 3.32 -1.85 -0.92 116.42 117.43 1d0i h ASP 35 Ca -0.01 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1d0i h ASP 35 Cb 1.25 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 1d0i h ASP 35 CO 0.13 0.40 0.39 0.58 -1.72 0.00 0.00 179.24 179.02 1d0i h VAL 36 N 0.61 1.16 -0.53 -1.35 2.07 -1.20 0.76 116.25 117.78 1d0i h VAL 36 Ca 0.17 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1d0i h VAL 36 Cb -0.05 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 1d0i h VAL 36 CO -0.03 0.16 0.34 -0.08 0.02 0.00 0.00 177.57 177.98 1d0i h GLU 37 N 0.82 0.68 -0.82 1.57 4.81 -0.83 -1.14 114.58 119.67 1d0i h GLU 37 Ca 0.22 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.46 1d0i h GLU 37 Cb -0.07 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.10 1d0i h GLU 37 CO -0.05 0.45 0.51 0.00 -0.73 0.00 0.00 179.01 179.19 1d0i h ALA 38 N 1.20 1.11 -0.77 2.92 0.00 -0.05 -0.58 119.26 123.09 1d0i h ALA 38 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1d0i h ALA 38 Cb -0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1d0i h ALA 38 CO -0.05 0.27 0.45 -0.07 0.00 0.00 0.00 179.25 179.85 1d0i h LEU 39 N 0.95 0.93 -0.48 0.00 3.38 -0.14 -1.59 115.31 118.37 1d0i h LEU 39 Ca 0.35 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 1d0i h LEU 39 Cb 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1d0i h LEU 39 CO -0.15 0.73 0.07 0.00 0.09 0.00 0.00 178.44 179.17 1d0i h VAL 41 N 0.67 0.87 -0.10 0.00 2.07 -1.11 0.25 116.25 118.90 1d0i h VAL 41 Ca 0.14 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.57 1d0i h VAL 41 Cb 0.41 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1d0i h VAL 41 CO 0.01 0.03 -0.22 0.50 0.02 0.00 0.00 177.57 177.91 1d0i h LYS 42 N -0.29 -0.29 -0.87 1.57 3.64 -1.27 0.10 116.57 119.17 1d0i h LYS 42 Ca -0.02 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1d0i h LYS 42 Cb 0.23 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1d0i h LYS 42 CO 0.04 -0.19 0.44 0.00 -2.27 0.00 0.00 179.45 177.46 1d0i h ALA 43 N 0.65 1.12 -0.42 5.00 0.00 -1.24 -2.09 119.26 122.27 1d0i h ALA 43 Ca 0.09 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1d0i h ALA 43 Cb 0.43 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1d0i h ALA 43 CO -0.27 0.66 -0.24 0.00 0.00 0.00 0.00 179.25 179.40 1d0i h ALA 44 N 1.24 0.78 -0.21 0.00 0.00 0.00 -2.89 119.26 118.17 1d0i h ALA 44 Ca 0.30 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1d0i h ALA 44 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1d0i h ALA 44 CO -0.04 0.65 0.07 0.00 0.00 0.00 0.00 179.25 179.93 1d0i h ALA 45 N 0.98 1.72 0.00 0.00 0.00 -0.48 0.11 119.26 121.59 1d0i h ALA 45 Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1d0i h ALA 45 Cb 0.79 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1d0i h ALA 45 CO 0.07 0.22 -0.02 0.00 0.00 0.00 0.00 179.25 179.52 1d0i h ALA 46 N 1.78 1.04 -0.45 0.00 0.00 -1.16 0.65 119.26 121.12 1d0i h ALA 46 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1d0i h ALA 46 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1d0i h ALA 46 CO -0.01 0.03 0.00 0.72 0.00 0.00 0.00 179.25 179.99 1d0i n HIS 47 N -3.18 0.59 -2.15 0.00 8.25 -0.60 -4.96 115.22 113.17 1d0i n HIS 47 Ca -0.01 -0.39 -0.07 0.00 -0.26 0.00 0.00 57.72 56.98 1d0i n HIS 47 Cb 0.21 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 1.13 0.07 3.63 -1.41 0.00 0.22 -4.84 105.19 103.99 1d0i n GLY 48 Ca 0.17 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.67 2.83 0.26 -0.02 0.00 0.30 -4.22 107.32 103.81 1d0i s GLY 49 Ca 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 44.72 43.96 1d0i s GLY 49 CO 0.00 -2.00 0.02 -0.51 0.00 0.00 0.00 173.10 170.61 1d0i s THR 50 N -3.05 1.08 0.10 0.90 -4.23 -1.26 -3.05 115.64 106.13 1d0i s THR 50 Ca 0.15 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 58.69 1d0i s THR 50 Cb 0.02 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 1d0i s THR 50 CO 0.09 -0.20 -0.15 0.68 -0.54 0.00 0.00 174.62 174.51 1d0i s VAL 51 N -3.39 1.28 -0.31 2.29 -7.23 -1.26 -0.45 120.40 111.34 1d0i s VAL 51 Ca 0.32 -1.54 0.03 0.00 -1.81 0.00 0.00 61.98 58.98 1d0i s VAL 51 Cb 0.07 -1.35 0.09 0.00 0.56 0.00 0.00 36.38 35.74 1d0i s VAL 51 CO 0.11 -0.30 0.01 -0.62 -0.31 0.00 0.00 175.10 173.99 1d0i s ASP 52 N -2.11 4.49 -0.22 4.85 -1.08 0.92 -4.84 116.67 118.68 1d0i s ASP 52 Ca 0.04 -1.81 -0.09 0.00 -0.52 0.00 0.00 52.55 50.17 1d0i s ASP 52 Cb -0.07 -1.45 -0.04 0.00 -1.46 0.00 0.00 42.92 39.89 1d0i s ASP 52 CO 0.03 -0.33 0.10 0.12 0.52 0.00 0.00 175.17 175.61 1d0i s PHE 53 N 1.10 3.22 0.08 -5.34 2.19 -1.26 -0.66 117.98 117.31 1d0i s PHE 53 Ca 0.05 -0.01 0.01 0.00 0.33 0.00 0.00 56.93 57.31 1d0i s PHE 53 Cb -0.19 -2.20 -0.04 0.00 -1.31 0.00 0.00 43.02 39.28 1d0i s PHE 53 CO -0.10 -0.03 -0.05 1.03 1.83 0.00 0.00 175.22 177.91 1d0i s ARG 54 N 0.99 0.74 -0.05 10.12 0.52 -0.06 -4.98 118.95 126.24 1d0i s ARG 54 Ca 0.05 -1.28 -0.07 0.00 -0.52 0.00 0.00 55.73 53.91 1d0i s ARG 54 Cb -0.14 -0.06 0.01 0.00 0.52 0.00 0.00 34.95 35.29 1d0i s ARG 54 CO 0.03 -0.05 0.19 -1.14 0.02 0.00 0.00 175.30 174.35 1d0i s GLN 55 N -3.81 0.31 -0.07 3.54 -0.44 -1.26 -0.79 119.66 117.14 1d0i s GLN 55 Ca 0.09 0.09 -0.22 0.00 -2.50 0.00 0.00 55.36 52.83 1d0i s GLN 55 Cb 0.06 0.14 0.05 0.00 -1.64 0.00 0.00 33.01 31.62 1d0i s GLN 55 CO -0.06 -0.05 0.50 0.45 0.50 0.00 0.00 175.29 176.63 1d0i s SER 56 N -0.31 -0.46 0.00 6.67 0.15 -0.49 -4.97 113.70 114.29 1d0i s SER 56 Ca -0.04 0.57 0.26 0.00 0.70 0.00 0.00 55.95 57.44 1d0i s SER 56 Cb -0.03 0.59 0.73 0.00 -1.71 0.00 0.00 66.02 65.60 1d0i s SER 56 CO 0.01 -0.44 1.56 0.59 1.20 0.00 0.00 173.24 176.16 1d0i n ASN 57 N 1.51 2.06 -4.40 5.45 3.02 -1.26 -2.71 115.26 118.94 1d0i n ASN 57 Ca -0.19 -1.69 -0.38 0.00 -0.03 0.00 0.00 54.58 52.29 1d0i n ASN 57 Cb 0.56 -0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.61 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 -2.00 3.17 0.17 3.10 3.76 -1.26 -4.75 115.29 117.48 1d0i s HIS 58 Ca 0.34 -0.74 -0.16 0.00 -0.15 0.00 0.00 55.06 54.36 1d0i s HIS 58 Cb 0.21 -2.32 0.11 0.00 1.11 0.00 0.00 32.58 31.69 1d0i s HIS 58 CO 0.32 -0.51 1.69 1.49 -0.85 0.00 0.00 174.74 176.89 1d0i h GLU 59 N 8.31 0.09 -0.52 1.40 4.81 -2.00 -1.62 114.58 125.04 1d0i h GLU 59 Ca -0.32 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.95 1d0i h GLU 59 Cb 1.14 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1d0i h GLU 59 CO 0.61 0.06 0.35 0.78 -0.73 0.00 0.00 179.01 180.08 1d0i h GLY 60 N 0.09 0.66 1.08 1.92 0.00 -1.99 -1.38 103.07 103.45 1d0i h GLY 60 Ca 0.20 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 1d0i h GLY 60 CO -0.34 0.19 -0.41 -2.09 0.00 0.00 0.00 176.54 173.88 1d0i h GLU 61 N 0.57 0.85 -0.47 4.80 4.81 -1.78 -1.93 114.58 121.41 1d0i h GLU 61 Ca 0.22 -0.48 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1d0i h GLU 61 Cb 0.15 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1d0i h GLU 61 CO -0.06 1.12 0.19 -0.07 -0.73 0.00 0.00 179.01 179.47 1d0i h LEU 62 N 0.63 0.65 -0.57 1.64 3.38 -0.82 -0.27 115.31 119.95 1d0i h LEU 62 Ca 0.04 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1d0i h LEU 62 Cb 1.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1d0i h LEU 62 CO 0.10 0.63 0.36 0.58 0.09 0.00 0.00 178.44 180.20 1d0i h VAL 63 N 0.62 1.10 -0.35 1.22 2.07 -1.15 -0.46 116.25 119.30 1d0i h VAL 63 Ca 0.16 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.48 1d0i h VAL 63 Cb 0.18 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1d0i h VAL 63 CO -0.01 0.13 0.08 0.44 0.02 0.00 0.00 177.57 178.22 1d0i h ASP 64 N 0.71 0.03 -0.59 0.57 3.32 -0.90 -1.83 116.42 117.74 1d0i h ASP 64 Ca 0.22 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 1d0i h ASP 64 Cb -0.02 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1d0i h ASP 64 CO -0.08 0.05 0.16 -0.50 -1.72 0.00 0.00 179.24 177.16 1d0i h TRP 65 N 0.20 0.97 -0.84 4.55 6.55 -0.82 -1.94 115.95 124.62 1d0i h TRP 65 Ca 0.16 -0.11 0.05 0.00 0.95 0.00 0.00 58.89 59.95 1d0i h TRP 65 Cb 0.18 -0.28 -0.05 0.00 -0.86 0.00 0.00 29.16 28.15 1d0i h TRP 65 CO -0.18 0.82 0.55 0.82 -1.05 0.00 0.00 178.44 179.39 1d0i h ILE 66 N 0.84 1.09 -0.88 1.49 2.04 -0.66 -1.83 117.51 119.61 1d0i h ILE 66 Ca 0.19 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.73 1d0i h ILE 66 Cb 0.32 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.38 1d0i h ILE 66 CO -0.00 0.18 0.58 0.45 0.00 0.00 0.00 178.15 179.36 1d0i h HIS 67 N 0.98 1.09 -0.10 1.37 3.86 -0.65 -2.31 115.15 119.40 1d0i h HIS 67 Ca 0.35 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.48 1d0i h HIS 67 Cb 0.13 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1d0i h HIS 67 CO -0.00 0.67 -0.40 1.49 0.86 0.00 0.00 177.93 180.54 1d0i h GLU 68 N 1.16 0.21 -0.86 2.45 4.81 -0.64 -3.02 114.58 118.69 1d0i h GLU 68 Ca 0.33 -0.10 0.06 0.00 -0.13 0.00 0.00 59.36 59.52 1d0i h GLU 68 Cb -0.08 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 1d0i h GLU 68 CO -0.08 0.59 0.56 0.00 -0.73 0.00 0.00 179.01 179.35 1d0i h ALA 69 N 1.41 1.54 -0.49 2.92 0.00 -0.79 -2.89 119.26 120.96 1d0i h ALA 69 Ca 0.02 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1d0i h ALA 69 Cb 0.80 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.23 1d0i h ALA 69 CO 0.06 0.34 -0.09 0.00 0.00 0.00 0.00 179.25 179.56 1d0i h ARG 70 N 0.98 0.03 -0.01 0.00 3.08 -1.47 0.07 114.38 117.05 1d0i h ARG 70 Ca 0.37 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1d0i h ARG 70 Cb 0.18 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1d0i h ARG 70 CO -0.13 0.02 -0.24 -0.11 -1.07 0.00 0.00 179.97 178.44 1d0i n LEU 71 N -5.32 1.87 -0.04 3.04 -0.00 -1.20 -4.71 117.00 110.63 1d0i n LEU 71 Ca 0.05 -0.83 -0.04 0.00 -0.00 0.00 0.00 56.01 55.18 1d0i n LEU 71 Cb 0.27 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.63 1d0i n LEU 71 CO 0.12 0.35 -0.74 0.59 -0.00 0.00 0.00 177.39 177.71 1d0i n ASN 72 N 0.20 3.27 -4.71 1.96 3.02 -1.09 -5.07 115.26 112.83 1d0i n ASN 72 Ca 0.08 -0.01 -0.27 0.00 -0.03 0.00 0.00 54.58 54.35 1d0i n ASN 72 Cb 0.37 0.57 -0.08 0.00 -0.61 0.00 0.00 39.78 40.03 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 -2.17 2.39 -2.38 3.10 3.76 -0.00 -4.44 115.29 115.54 1d0i s HIS 73 Ca -0.05 -0.69 0.21 0.00 -0.15 0.00 0.00 55.06 54.38 1d0i s HIS 73 Cb 0.02 -1.84 0.28 0.00 1.11 0.00 0.00 32.58 32.15 1d0i s HIS 73 CO 0.28 0.24 1.25 0.00 -0.85 0.00 0.00 174.74 175.66 1d0i n GLY 75 N 1.24 1.79 3.07 0.00 0.00 -1.26 -4.48 105.19 105.54 1d0i n GLY 75 Ca 0.15 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 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 1.17 -0.23 -0.61 1.01 0.26 -1.86 121.20 118.94 1d0i s ILE 76 Ca 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 1d0i s ILE 76 Cb 0.00 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 1d0i s ILE 76 CO 0.00 0.35 0.01 -0.69 0.00 0.00 0.00 174.94 174.61 1d0i s VAL 77 N 0.21 3.81 -0.07 2.92 1.01 -0.07 -0.99 120.40 127.20 1d0i s VAL 77 Ca -0.06 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1d0i s VAL 77 Cb -0.11 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1d0i s VAL 77 CO 0.02 0.39 -0.13 -0.51 0.00 0.00 0.00 175.10 174.87 1d0i s ILE 78 N 1.48 1.24 -0.45 2.22 2.07 0.59 -0.55 121.20 127.80 1d0i s ILE 78 Ca 0.06 -0.53 -0.00 0.00 -1.41 0.00 0.00 60.65 58.76 1d0i s ILE 78 Cb -0.15 -1.13 0.12 0.00 0.13 0.00 0.00 42.46 41.44 1d0i s ILE 78 CO 0.00 0.38 0.23 0.21 -1.91 0.00 0.00 174.94 173.85 1d0i s ASN 79 N 0.69 5.00 0.00 4.50 3.84 0.68 -0.86 114.94 128.80 1d0i s ASN 79 Ca -0.14 -2.38 0.21 0.00 0.21 0.00 0.00 52.86 50.76 1d0i s ASN 79 Cb -0.16 -1.76 0.89 0.00 -0.55 0.00 0.00 41.25 39.67 1d0i s ASN 79 CO 0.03 -0.42 1.67 -2.65 -2.79 0.00 0.00 177.10 172.94 1d0i n PRO 80 N 4.07 0.00 0.00 0.43 -0.02 -1.26 -0.66 135.00 137.56 1d0i n PRO 80 Ca 0.02 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1d0i n PRO 80 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 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 -1.50 0.00 0.02 3.55 0.00 -1.26 -1.79 120.51 119.53 1d0i n ALA 81 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.58 1d0i n ALA 81 Cb 0.24 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.35 1.94 0.00 0.00 0.00 -1.93 0.40 119.26 119.32 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 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1d0i h ALA 82 CO 0.00 -0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.90 1d0i n TYR 83 N -4.48 0.77 -0.32 0.00 4.01 -0.74 -2.20 117.16 114.20 1d0i n TYR 83 Ca 0.05 0.34 0.05 0.00 -0.16 0.00 0.00 57.90 58.18 1d0i n TYR 83 Cb 0.23 -1.05 0.21 0.00 -0.31 0.00 0.00 39.34 38.41 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 0.77 0.80 7.72 0.02 -0.95 -1.20 113.55 120.71 1d0i h SER 84 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1d0i h SER 84 Cb 0.21 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1d0i h SER 84 CO 0.00 0.41 -0.58 1.41 -1.14 0.00 0.00 176.83 176.93 1d0i n HIS 85 N -4.71 0.43 0.00 3.45 8.25 -0.94 -0.18 115.22 121.53 1d0i n HIS 85 Ca 0.16 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 1d0i n HIS 85 Cb 0.33 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 30.87 1d0i n HIS 85 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1d0i n THR 86 N -1.97 0.00 -3.08 1.59 -2.24 -1.04 -4.81 114.28 102.73 1d0i n THR 86 Ca 0.04 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.37 1d0i n THR 86 Cb 0.42 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.39 6.29 0.28 3.42 0.15 -0.48 -4.81 113.70 116.16 1d0i s SER 87 Ca 0.00 -1.58 0.10 0.00 0.70 0.00 0.00 55.95 55.17 1d0i s SER 87 Cb 0.00 -2.32 0.40 0.00 -1.71 0.00 0.00 66.02 62.39 1d0i s SER 87 CO 0.00 -1.09 1.64 0.58 1.20 0.00 0.00 173.24 175.57 1d0i h VAL 88 N 5.82 1.42 -0.70 4.45 2.07 -1.94 -3.07 116.25 124.29 1d0i h VAL 88 Ca -0.20 -1.99 0.03 0.00 0.82 0.00 0.00 66.70 65.35 1d0i h VAL 88 Cb 1.07 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.87 1d0i h VAL 88 CO 1.08 0.57 0.44 0.00 0.02 0.00 0.00 177.57 179.68 1d0i h ALA 89 N 1.41 0.92 -0.19 1.67 0.00 -1.98 0.30 119.26 121.38 1d0i h ALA 89 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1d0i h ALA 89 Cb 1.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1d0i h ALA 89 CO 0.08 0.22 -0.06 0.82 0.00 0.00 0.00 179.25 180.31 1d0i h ILE 90 N 0.86 1.29 -0.15 0.00 2.04 -1.90 -0.01 117.51 119.65 1d0i h ILE 90 Ca 0.28 -1.05 0.05 0.00 1.00 0.00 0.00 64.86 65.14 1d0i h ILE 90 Cb 0.02 1.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.62 1d0i h ILE 90 CO -0.11 0.32 -0.39 0.25 0.00 0.00 0.00 178.15 178.21 1d0i h LEU 91 N 0.09 -1.24 -1.53 1.44 5.85 -1.41 -0.52 115.31 118.00 1d0i h LEU 91 Ca 0.05 0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.99 1d0i h LEU 91 Cb 0.51 0.51 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1d0i h LEU 91 CO 0.02 -0.41 0.39 0.44 -0.34 0.00 0.00 178.44 178.55 1d0i h ASP 92 N -0.46 0.51 -0.58 1.25 3.32 -0.76 -0.45 116.42 119.26 1d0i h ASP 92 Ca 0.09 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1d0i h ASP 92 Cb 0.61 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1d0i h ASP 92 CO -0.40 0.34 0.10 0.00 -1.72 0.00 0.00 179.24 177.56 1d0i h ALA 93 N 1.68 1.01 0.00 3.45 0.00 -0.03 -2.75 119.26 122.61 1d0i h ALA 93 Ca 0.25 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1d0i h ALA 93 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1d0i h ALA 93 CO -0.07 0.63 -0.34 -0.07 0.00 0.00 0.00 179.25 179.40 1d0i h LEU 94 N 0.94 0.00 -0.43 0.00 3.38 0.44 -3.11 115.31 116.53 1d0i h LEU 94 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1d0i h LEU 94 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1d0i h LEU 94 CO 0.01 0.34 0.00 0.78 0.09 0.00 0.00 178.44 179.66 1d0i h ASN 95 N 0.00 0.00 1.03 -0.43 2.35 -0.99 -3.27 115.58 114.27 1d0i h ASN 95 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1d0i h ASN 95 Cb 0.88 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.25 1d0i h ASN 95 CO 0.04 0.00 -0.10 0.71 -1.65 0.00 0.00 177.43 176.44 1d0i h THR 96 N 0.00 0.25 -3.52 2.81 1.35 -1.44 -3.37 112.91 108.99 1d0i h THR 96 Ca 0.00 -0.81 -0.65 0.00 -0.55 0.00 0.00 66.41 64.40 1d0i h THR 96 Cb 0.81 1.65 -0.40 0.00 -1.73 0.00 0.00 68.15 68.48 1d0i h THR 96 CO 0.00 0.10 -0.66 0.00 -0.25 0.00 0.00 175.52 174.71 1d0i h ASP 98 N 7.02 0.79 1.14 0.00 3.32 -1.82 -3.19 116.42 123.68 1d0i h ASP 98 Ca -0.06 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.86 1d0i h ASP 98 Cb 0.95 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 1d0i h ASP 98 CO 0.62 0.47 -0.90 1.23 -1.72 0.00 0.00 179.24 178.94 1d0i h GLY 99 N 0.88 0.00 -5.53 2.75 0.00 -1.95 -3.47 103.07 95.75 1d0i h GLY 99 Ca 0.40 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.16 1d0i h GLY 99 CO -0.17 0.00 1.15 -0.10 0.00 0.00 0.00 176.54 177.42 1d0i n LEU 100 N -3.15 3.78 -4.71 3.11 7.94 -1.21 -4.93 117.00 117.83 1d0i n LEU 100 Ca -0.02 0.95 -0.42 0.00 -1.11 0.00 0.00 56.01 55.40 1d0i n LEU 100 Cb 0.82 -1.45 -0.03 0.00 0.53 0.00 0.00 43.42 43.29 1d0i n LEU 100 CO 0.43 0.06 1.23 -2.16 -1.11 0.00 0.00 177.39 175.84 1d0i s PRO 101 N 4.08 4.23 -0.07 1.96 0.04 -1.26 -4.89 135.00 139.09 1d0i s PRO 101 Ca 0.90 2.30 0.02 0.00 0.04 0.00 0.00 61.00 64.27 1d0i s PRO 101 Cb -0.57 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 30.69 1d0i s PRO 101 CO 0.46 -0.62 -0.12 0.08 0.04 0.00 0.00 177.00 176.85 1d0i s VAL 102 N 1.57 1.11 -0.11 -0.36 1.01 -1.26 -0.58 120.40 121.79 1d0i s VAL 102 Ca 0.70 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1d0i s VAL 102 Cb -0.41 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 34.95 1d0i s VAL 102 CO 0.31 0.35 -0.13 -0.69 0.00 0.00 0.00 175.10 174.94 1d0i s VAL 103 N 0.75 1.38 -0.04 2.92 1.01 -0.16 0.09 120.40 126.35 1d0i s VAL 103 Ca -0.13 -0.56 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 1d0i s VAL 103 Cb -0.16 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1d0i s VAL 103 CO 0.03 0.42 0.54 -0.70 0.00 0.00 0.00 175.10 175.39 1d0i s GLU 104 N 1.15 4.28 -0.03 2.72 2.12 -0.56 -0.30 118.70 128.08 1d0i s GLU 104 Ca -0.04 0.62 0.02 0.00 0.36 0.00 0.00 54.97 55.93 1d0i s GLU 104 Cb -0.14 -3.36 0.01 0.00 0.26 0.00 0.00 34.13 30.90 1d0i s GLU 104 CO -0.04 0.33 -0.07 0.08 -0.54 0.00 0.00 175.26 175.03 1d0i s VAL 105 N -0.01 0.65 -0.08 3.70 1.01 -0.04 -0.40 120.40 125.23 1d0i s VAL 105 Ca 0.29 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1d0i s VAL 105 Cb -0.17 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 1d0i s VAL 105 CO 0.15 0.23 -0.23 -1.00 0.00 0.00 0.00 175.10 174.25 1d0i s HIS 106 N 0.51 2.53 0.08 5.22 3.76 0.81 -4.19 115.29 124.02 1d0i s HIS 106 Ca -0.07 -0.78 -0.14 0.00 -0.15 0.00 0.00 55.06 53.91 1d0i s HIS 106 Cb -0.11 -1.66 -0.18 0.00 1.11 0.00 0.00 32.58 31.74 1d0i s HIS 106 CO 0.01 -0.25 1.26 0.82 -0.85 0.00 0.00 174.74 175.72 1d0i h ILE 107 N 5.25 1.29 -3.29 0.60 2.04 -1.86 -1.78 117.51 119.76 1d0i h ILE 107 Ca -0.28 -2.02 -0.46 0.00 1.00 0.00 0.00 64.86 63.09 1d0i h ILE 107 Cb 1.20 2.14 0.05 0.00 -0.74 0.00 0.00 36.82 39.47 1d0i h ILE 107 CO 0.48 0.63 0.10 -0.94 0.00 0.00 0.00 178.15 178.42 1d0i s SER 108 N -7.08 5.41 -0.83 1.72 1.04 -1.26 -2.82 113.70 109.88 1d0i s SER 108 Ca -0.11 0.44 -0.18 0.00 0.48 0.00 0.00 55.95 56.58 1d0i s SER 108 Cb 0.07 -1.39 0.14 0.00 0.10 0.00 0.00 66.02 64.94 1d0i s SER 108 CO 0.90 -1.12 0.97 0.21 0.98 0.00 0.00 173.24 175.17 1d0i s ASN 109 N -4.36 6.53 0.60 7.02 3.84 -1.26 -2.10 114.94 125.22 1d0i s ASN 109 Ca 0.55 -1.96 0.29 0.00 0.21 0.00 0.00 52.86 51.95 1d0i s ASN 109 Cb -0.10 -2.35 1.58 0.00 -0.55 0.00 0.00 41.25 39.83 1d0i s ASN 109 CO 0.42 -1.02 1.98 0.16 -2.79 0.00 0.00 177.10 175.86 1d0i h ILE 110 N 5.66 0.34 0.00 -5.21 3.07 -1.93 -1.16 117.51 118.29 1d0i h ILE 110 Ca 0.03 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.44 1d0i h ILE 110 Cb 1.04 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.30 1d0i h ILE 110 CO 1.05 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.56 1d0i n HIS 111 N -3.61 0.39 0.32 0.16 8.25 -1.26 -1.70 115.22 117.76 1d0i n HIS 111 Ca 0.04 0.14 0.12 0.00 -0.26 0.00 0.00 57.72 57.76 1d0i n HIS 111 Cb 0.49 -0.73 0.21 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.84 2.50 0.00 -0.41 6.02 -0.44 -4.98 117.38 118.22 1d0i n GLN 112 Ca 0.03 -2.28 0.00 0.00 -0.01 0.00 0.00 57.00 54.74 1d0i n GLN 112 Cb 0.23 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 29.98 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 1.49 3.49 -1.54 -1.09 1.74 -0.69 -5.07 116.66 114.98 1d0i n ARG 113 Ca 0.19 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.92 1d0i n ARG 113 Cb 0.61 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.13 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 2.56 2.29 0.35 5.56 8.01 -1.26 -4.88 118.70 131.33 1d0i s GLU 114 Ca 0.00 1.85 0.11 0.00 0.01 0.00 0.00 54.97 56.93 1d0i s GLU 114 Cb 0.00 -1.84 0.87 0.00 -4.31 0.00 0.00 34.13 28.85 1d0i s GLU 114 CO 0.00 -1.74 1.81 -1.35 0.01 0.00 0.00 175.26 173.99 1d0i h PRO 115 N -0.01 0.61 0.00 0.39 0.11 -1.97 0.45 132.00 131.59 1d0i h PRO 115 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1d0i h PRO 115 Cb 1.31 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1d0i h PRO 115 CO 0.51 0.41 0.00 0.27 -0.21 0.00 0.00 178.00 178.97 1d0i h PHE 116 N 0.63 0.00 -0.00 0.65 -5.15 -1.97 -0.99 116.94 110.10 1d0i h PHE 116 Ca 0.53 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.30 1d0i h PHE 116 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.16 1d0i h PHE 116 CO -0.00 0.00 -0.19 0.54 -2.00 0.00 0.00 178.31 176.66 1d0i n ARG 117 N -2.87 0.39 0.21 6.09 1.74 0.15 -4.14 116.66 118.24 1d0i n ARG 117 Ca -0.00 -0.15 0.08 0.00 -0.77 0.00 0.00 57.85 57.01 1d0i n ARG 117 Cb 0.22 -1.50 0.45 0.00 -1.02 0.00 0.00 32.46 30.61 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 0.36 0.00 -3.12 -1.55 3.86 -1.21 -3.44 115.15 110.06 1d0i h HIS 118 Ca 0.00 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.57 1d0i h HIS 118 Cb 0.43 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.77 1d0i h HIS 118 CO 0.00 0.28 -0.55 -1.58 0.86 0.00 0.00 177.93 176.94 1d0i s HIS 119 N -3.79 3.33 -0.10 2.45 5.65 -1.26 -4.90 115.29 116.68 1d0i s HIS 119 Ca -0.01 0.24 0.02 0.00 0.25 0.00 0.00 55.06 55.56 1d0i s HIS 119 Cb 0.11 -1.98 0.01 0.00 -1.18 0.00 0.00 32.58 29.55 1d0i s HIS 119 CO 0.66 0.40 -0.14 0.45 -0.65 0.00 0.00 174.74 175.45 1d0i s SER 120 N -0.31 2.32 0.25 9.88 0.15 -1.26 -4.17 113.70 120.57 1d0i s SER 120 Ca 0.09 -0.40 -0.02 0.00 0.70 0.00 0.00 55.95 56.33 1d0i s SER 120 Cb -0.12 -1.03 0.32 0.00 -1.71 0.00 0.00 66.02 63.48 1d0i s SER 120 CO 0.01 0.01 1.72 1.88 1.20 0.00 0.00 173.24 178.06 1d0i h TYR 121 N 7.38 0.78 -0.02 3.44 0.05 -0.88 -2.81 116.97 124.90 1d0i h TYR 121 Ca -0.31 -0.14 0.01 0.00 0.05 0.00 0.00 58.73 58.34 1d0i h TYR 121 Cb 1.18 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 1d0i h TYR 121 CO 0.48 0.79 0.02 0.28 -1.05 0.00 0.00 178.16 178.68 1d0i h VAL 122 N 0.65 0.83 0.00 -2.88 2.07 -1.87 -2.86 116.25 112.18 1d0i h VAL 122 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 1d0i h VAL 122 Cb 0.57 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1d0i h VAL 122 CO 0.04 0.00 -0.03 0.28 0.02 0.00 0.00 177.57 177.88 1d0i h SER 123 N 0.00 0.00 1.40 0.57 0.02 -1.86 -0.97 113.55 112.71 1d0i h SER 123 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1d0i h SER 123 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1d0i h SER 123 CO -0.00 0.03 0.00 1.56 -1.14 0.00 0.00 176.83 177.28 1d0i h GLN 124 N 0.00 0.00 0.00 3.45 7.50 -1.66 -3.28 115.11 121.12 1d0i h GLN 124 Ca -0.00 0.00 -0.30 0.00 0.50 0.00 0.00 58.65 58.85 1d0i h GLN 124 Cb 0.44 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.91 1d0i h GLN 124 CO 0.00 0.00 -2.12 -2.13 -1.50 0.00 0.00 178.83 173.08 1d0i n ARG 125 N -2.55 0.84 -1.57 1.46 3.00 -0.54 -5.00 116.66 112.30 1d0i n ARG 125 Ca 0.04 0.07 -0.46 0.00 -0.00 0.00 0.00 57.85 57.50 1d0i n ARG 125 Cb 0.40 -1.40 -0.02 0.00 0.00 0.00 0.00 32.46 31.43 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 -2.91 -0.53 -0.06 5.13 0.00 -0.48 -4.88 120.51 116.78 1d0i n ALA 126 Ca -0.32 0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 1d0i n ALA 126 Cb 0.93 -1.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 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 2.19 0.32 -4.42 0.00 3.32 -0.69 -3.46 116.42 113.70 1d0i h ASP 127 Ca -0.39 -0.28 -0.28 0.00 0.02 0.00 0.00 57.03 56.09 1d0i h ASP 127 Cb 1.35 -0.09 -0.16 0.00 0.22 0.00 0.00 39.33 40.65 1d0i h ASP 127 CO 0.62 0.53 -0.71 -0.83 -1.72 0.00 0.00 179.24 177.12 1d0i s GLY 128 N -3.00 0.83 -0.05 2.75 0.00 -1.20 -5.07 107.32 101.58 1d0i s GLY 128 Ca -0.14 -1.28 -0.01 0.00 0.00 0.00 0.00 44.72 43.29 1d0i s GLY 128 CO 0.73 -1.37 0.02 0.14 0.00 0.00 0.00 173.10 172.62 1d0i s VAL 129 N -3.01 0.16 -0.15 1.40 1.01 -1.26 -1.50 120.40 117.05 1d0i s VAL 129 Ca 0.09 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1d0i s VAL 129 Cb 0.01 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 36.06 1d0i s VAL 129 CO -0.02 0.20 -0.19 -0.69 0.00 0.00 0.00 175.10 174.41 1d0i s VAL 130 N 1.82 2.27 0.00 2.92 1.01 0.46 -5.00 120.40 123.89 1d0i s VAL 130 Ca 0.01 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1d0i s VAL 130 Cb -0.12 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1d0i s VAL 130 CO -0.04 0.53 -0.09 0.00 0.00 0.00 0.00 175.10 175.51 1d0i s ALA 131 N 0.92 0.71 -1.21 5.51 0.00 -1.26 -0.13 121.76 126.29 1d0i s ALA 131 Ca -0.04 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1d0i s ALA 131 Cb -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1d0i s ALA 131 CO -0.03 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.29 1d0i n GLY 132 N 2.63 1.01 1.62 0.00 0.00 -0.67 -4.79 105.19 104.98 1d0i n GLY 132 Ca -0.15 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.61 0.96 0.18 0.00 0.00 -1.13 -2.62 105.19 101.97 1d0i n GLY 134 Ca 0.38 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 0.00 1.61 -1.51 -1.89 -2.13 116.25 112.33 1d0i h VAL 135 Ca 0.00 -0.42 -0.00 0.00 -1.23 0.00 0.00 66.70 65.04 1d0i h VAL 135 Cb 0.00 1.30 -0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1d0i h VAL 135 CO 0.00 0.00 -0.02 -0.61 -1.23 0.00 0.00 177.57 175.71 1d0i h GLN 136 N 0.00 0.00 -0.13 5.19 4.15 -1.94 -1.12 115.11 121.26 1d0i h GLN 136 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1d0i h GLN 136 Cb 0.52 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1d0i h GLN 136 CO 0.00 0.02 0.07 0.78 -1.93 0.00 0.00 178.83 177.77 1d0i h GLY 137 N 0.56 0.18 1.48 2.39 0.00 -1.13 -0.51 103.07 106.04 1d0i h GLY 137 Ca -0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 1d0i h GLY 137 CO 0.00 0.07 -0.24 -0.97 0.00 0.00 0.00 176.54 175.40 1d0i h TYR 138 N 0.18 0.68 -0.60 5.60 -1.99 -1.40 -0.98 116.97 118.45 1d0i h TYR 138 Ca 0.05 -0.15 -0.07 0.00 2.00 0.00 0.00 58.73 60.55 1d0i h TYR 138 Cb 0.01 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 38.55 1d0i h TYR 138 CO 0.00 0.79 0.08 0.28 -0.00 0.00 0.00 178.16 179.31 1d0i h VAL 139 N 0.53 1.25 -0.69 -2.88 2.07 -1.23 -0.95 116.25 114.36 1d0i h VAL 139 Ca 0.08 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.60 1d0i h VAL 139 Cb 0.70 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1d0i h VAL 139 CO 0.05 0.37 0.46 -0.26 0.02 0.00 0.00 177.57 178.21 1d0i h PHE 140 N 0.92 0.88 0.07 1.57 0.04 -1.23 0.26 116.94 119.45 1d0i h PHE 140 Ca 0.18 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.97 1d0i h PHE 140 Cb 0.43 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 1d0i h PHE 140 CO 0.03 0.56 -0.04 0.78 -0.60 0.00 0.00 178.31 179.03 1d0i h GLY 141 N 0.94 -0.11 1.00 -1.45 0.00 -0.89 0.21 103.07 102.76 1d0i h GLY 141 Ca 0.25 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1d0i h GLY 141 CO -0.05 -0.05 0.37 -2.08 0.00 0.00 0.00 176.54 174.73 1d0i h VAL 142 N -0.11 1.17 -0.67 4.60 2.07 -0.14 -1.25 116.25 121.92 1d0i h VAL 142 Ca -0.01 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1d0i h VAL 142 Cb 0.10 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1d0i h VAL 142 CO 0.01 0.17 0.34 -0.33 0.02 0.00 0.00 177.57 177.78 1d0i h GLU 143 N 0.80 0.94 -0.27 1.57 5.08 -0.19 -0.07 114.58 122.44 1d0i h GLU 143 Ca 0.21 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 1d0i h GLU 143 Cb -0.05 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1d0i h GLU 143 CO -0.04 0.71 -0.38 -0.09 -1.00 0.00 0.00 179.01 178.21 1d0i h ARG 144 N 0.95 0.74 -0.53 2.33 9.65 -0.15 -2.20 114.38 125.17 1d0i h ARG 144 Ca 0.24 -0.43 0.04 0.00 -1.10 0.00 0.00 59.98 58.73 1d0i h ARG 144 Cb 0.06 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.63 1d0i h ARG 144 CO -0.03 1.05 0.28 0.82 2.80 0.00 0.00 179.97 184.89 1d0i h ILE 145 N 0.48 0.98 -0.25 1.20 1.08 -0.93 0.65 117.51 120.72 1d0i h ILE 145 Ca 0.03 -0.19 0.05 0.00 -0.39 0.00 0.00 64.86 64.36 1d0i h ILE 145 Cb 0.97 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 35.05 1d0i h ILE 145 CO 0.09 0.10 -0.08 0.00 -0.69 0.00 0.00 178.15 177.57 1d0i h ALA 146 N 1.27 0.15 -0.52 1.87 0.00 -0.76 0.17 119.26 121.45 1d0i h ALA 146 Ca 0.23 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1d0i h ALA 146 Cb 0.11 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1d0i h ALA 146 CO -0.15 -0.48 0.20 0.00 0.00 0.00 0.00 179.25 178.82 1d0i h ALA 147 N 1.22 1.38 -0.03 0.00 0.00 -0.96 0.45 119.26 121.33 1d0i h ALA 147 Ca 0.12 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1d0i h ALA 147 Cb 0.21 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1d0i h ALA 147 CO -0.27 0.46 -0.93 -0.07 0.00 0.00 0.00 179.25 178.44 1d0i h LEU 148 N 0.74 0.72 -0.48 0.00 3.38 -0.23 -3.20 115.31 116.23 1d0i h LEU 148 Ca 0.18 -0.55 -0.17 0.00 0.09 0.00 0.00 57.88 57.42 1d0i h LEU 148 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1d0i h LEU 148 CO -0.02 1.35 -0.71 0.00 0.09 0.00 0.00 178.44 179.15 1d0i h ALA 149 N 0.61 0.69 0.00 1.53 0.00 -0.54 -3.50 119.26 118.06 1d0i h ALA 149 Ca -0.09 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1d0i h ALA 149 Cb 1.57 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1d0i h ALA 149 CO 0.17 0.78 0.00 0.41 0.00 0.00 0.00 179.25 180.62