#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 4.28 0.57 0.54 0.52 -1.26 -5.08 118.95 118.52 1d0i s ARG 2 Ca 0.00 0.82 0.00 0.00 -0.52 0.00 0.00 55.73 56.03 1d0i s ARG 2 Cb 0.00 -3.25 0.04 0.00 0.52 0.00 0.00 34.95 32.26 1d0i s ARG 2 CO 0.00 0.61 0.81 -1.54 0.02 0.00 0.00 175.30 175.20 1d0i s SER 3 N -1.07 5.21 0.43 0.23 1.04 -1.26 -4.56 113.70 113.72 1d0i s SER 3 Ca 0.30 0.06 0.13 0.00 0.48 0.00 0.00 55.95 56.92 1d0i s SER 3 Cb -0.20 -0.91 1.00 0.00 0.10 0.00 0.00 66.02 66.01 1d0i s SER 3 CO 0.20 -1.21 1.98 -0.07 0.98 0.00 0.00 173.24 175.13 1d0i h LEU 4 N -0.03 0.39 -0.49 2.42 4.07 -1.89 -1.53 115.31 118.25 1d0i h LEU 4 Ca -0.42 0.01 -0.14 0.00 0.08 0.00 0.00 57.88 57.40 1d0i h LEU 4 Cb 1.30 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 1d0i h LEU 4 CO 0.53 0.24 -0.31 0.00 -1.08 0.00 0.00 178.44 177.83 1d0i h ALA 5 N 1.70 0.67 0.00 1.53 0.00 -1.89 -3.34 119.26 117.94 1d0i h ALA 5 Ca 0.27 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1d0i h ALA 5 Cb 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1d0i h ALA 5 CO -0.08 0.67 -1.07 0.09 0.00 0.00 0.00 179.25 178.87 1d0i n ASN 6 N -4.08 0.72 -3.72 0.00 5.03 -0.81 -4.99 115.26 107.41 1d0i n ASN 6 Ca -0.01 -0.59 -0.14 0.00 0.87 0.00 0.00 54.58 54.71 1d0i n ASN 6 Cb 0.50 0.98 -0.09 0.00 -1.02 0.00 0.00 39.78 40.16 1d0i n ASN 6 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1d0i s ALA 7 N -3.11 -1.00 0.73 5.41 0.00 -0.64 -4.91 121.76 118.23 1d0i s ALA 7 Ca 0.05 0.69 -0.12 0.00 0.00 0.00 0.00 51.96 52.58 1d0i s ALA 7 Cb 0.16 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.18 1d0i s ALA 7 CO 0.84 -0.26 1.09 -1.25 0.00 0.00 0.00 175.76 176.18 1d0i s PRO 8 N -0.92 2.51 -0.21 0.00 0.04 -1.26 -4.18 135.00 130.99 1d0i s PRO 8 Ca -0.10 1.22 -0.20 0.00 0.04 0.00 0.00 61.00 61.95 1d0i s PRO 8 Cb -0.04 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1d0i s PRO 8 CO 0.04 -1.45 0.62 0.42 0.04 0.00 0.00 177.00 176.67 1d0i s ILE 9 N -2.73 5.03 -0.01 0.56 1.01 -0.06 -0.50 121.20 124.49 1d0i s ILE 9 Ca 0.63 1.15 -0.30 0.00 0.00 0.00 0.00 60.65 62.12 1d0i s ILE 9 Cb -0.18 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1d0i s ILE 9 CO 0.51 0.11 1.13 -0.32 0.00 0.00 0.00 174.94 176.36 1d0i s MET 10 N 1.97 4.44 -0.41 2.79 -2.45 -0.65 -0.78 119.30 124.20 1d0i s MET 10 Ca 0.28 1.62 -0.06 0.00 -1.25 0.00 0.00 55.69 56.27 1d0i s MET 10 Cb -0.16 -3.46 0.09 0.00 1.25 0.00 0.00 34.83 32.55 1d0i s MET 10 CO 0.10 -0.27 0.22 0.42 1.05 0.00 0.00 175.02 176.54 1d0i s ILE 11 N 1.50 3.76 -0.24 10.11 -1.09 -0.66 -0.76 121.20 133.82 1d0i s ILE 11 Ca 0.55 -1.65 -0.07 0.00 -2.23 0.00 0.00 60.65 57.25 1d0i s ILE 11 Cb -0.25 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1d0i s ILE 11 CO 0.26 -0.54 0.07 -0.76 -1.23 0.00 0.00 174.94 172.73 1d0i s LEU 12 N 1.30 3.47 -0.13 2.97 1.43 0.82 -0.71 118.68 127.83 1d0i s LEU 12 Ca 0.04 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1d0i s LEU 12 Cb -0.23 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 1d0i s LEU 12 CO -0.01 -0.01 -0.16 0.20 0.23 0.00 0.00 176.35 176.61 1d0i s ASN 13 N 1.47 3.78 0.37 2.29 0.01 -0.26 0.00 114.94 122.61 1d0i s ASN 13 Ca 0.06 -0.39 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 1d0i s ASN 13 Cb -0.15 -1.56 0.00 0.00 0.41 0.00 0.00 41.25 39.95 1d0i s ASN 13 CO 0.04 0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 1d0i n GLY 14 N 3.59 -0.78 3.77 0.66 0.00 0.14 -1.38 105.19 111.17 1d0i n GLY 14 Ca -0.18 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.07 3.68 0.00 1.61 0.04 -1.09 -3.27 135.00 134.89 1d0i s PRO 15 Ca 0.00 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1d0i s PRO 15 Cb 0.00 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1d0i s PRO 15 CO 0.00 -0.66 0.00 0.09 0.04 0.00 0.00 177.00 176.47 1d0i n ASN 16 N -0.48 0.00 0.25 6.66 3.02 -1.26 -4.58 115.26 118.87 1d0i n ASN 16 Ca 0.07 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.79 1d0i n ASN 16 Cb 0.47 -0.25 0.72 0.00 -0.61 0.00 0.00 39.78 40.10 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 -2.23 3.41 3.38 -1.92 -2.11 115.31 115.84 1d0i h LEU 17 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 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 0.16 -0.55 0.09 0.00 0.00 178.44 178.14 1d0i h ASN 18 N 0.00 0.00 -0.37 -0.43 -1.07 -1.88 -0.41 115.58 111.42 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 0.38 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.63 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 -3.92 2.53 -4.59 6.14 4.77 -0.79 -4.73 117.00 116.41 1d0i n LEU 19 Ca 0.01 -1.17 -0.47 0.00 -0.03 0.00 0.00 56.01 54.35 1d0i n LEU 19 Cb 0.28 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1d0i n LEU 19 CO 0.29 0.58 0.71 -0.11 -1.33 0.00 0.00 177.39 177.53 1d0i n LEU 20 N 0.88 1.75 0.00 2.23 7.94 -0.16 -1.42 117.00 128.21 1d0i n LEU 20 Ca 0.17 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.22 1d0i n LEU 20 Cb 0.43 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.13 1d0i n LEU 20 CO 0.13 -1.25 0.00 0.61 -1.11 0.00 0.00 177.39 175.77 1d0i n GLY 21 N 1.84 3.17 0.02 -3.96 0.00 -1.17 -4.00 105.19 101.09 1d0i n GLY 21 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1d0i n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1d0i n GLN 22 N -1.96 0.53 -4.24 1.61 6.02 -0.51 -4.74 117.38 114.09 1d0i n GLN 22 Ca 0.00 -0.13 -0.14 0.00 -0.01 0.00 0.00 57.00 56.73 1d0i n GLN 22 Cb 0.00 -1.55 -0.10 0.00 1.02 0.00 0.00 30.24 29.61 1d0i n GLN 22 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1d0i s ARG 23 N -3.41 1.22 -0.26 -1.09 0.52 -1.26 -4.95 118.95 109.72 1d0i s ARG 23 Ca -0.04 -1.63 -0.02 0.00 -0.52 0.00 0.00 55.73 53.52 1d0i s ARG 23 Cb 0.14 -0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.58 1d0i s ARG 23 CO 0.89 -0.29 0.21 0.00 0.02 0.00 0.00 175.30 176.12 1d0i n GLN 24 N -0.31 -0.54 0.23 3.54 10.64 -1.26 -4.62 117.38 125.06 1d0i n GLN 24 Ca -0.01 0.28 0.15 0.00 -1.83 0.00 0.00 57.00 55.59 1d0i n GLN 24 Cb 0.65 -0.74 0.53 0.00 -0.86 0.00 0.00 30.24 29.82 1d0i n GLN 24 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 1d0i h PRO 25 N 0.58 0.00 -0.02 2.61 0.13 -1.93 -0.30 132.00 133.08 1d0i h PRO 25 Ca -0.22 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.74 1d0i h PRO 25 Cb 0.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 1d0i h PRO 25 CO 0.12 0.00 -0.76 1.05 -0.23 0.00 0.00 178.00 178.18 1d0i h GLU 26 N 0.00 0.14 0.00 0.86 9.09 -1.86 0.33 114.58 123.14 1d0i h GLU 26 Ca 0.00 -0.13 -0.07 0.00 0.05 0.00 0.00 59.36 59.21 1d0i h GLU 26 Cb 0.60 0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.72 1d0i h GLU 26 CO 0.00 0.83 -0.49 0.82 0.05 0.00 0.00 179.01 180.22 1d0i h ILE 27 N 0.09 0.77 -0.00 -1.06 2.04 -1.84 -3.41 117.51 114.09 1d0i h ILE 27 Ca -0.02 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.11 1d0i h ILE 27 Cb 1.33 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 1d0i h ILE 27 CO 0.11 0.26 -0.74 -1.22 0.00 0.00 0.00 178.15 176.56 1d0i n TYR 28 N -4.59 0.00 -3.24 1.37 4.01 -0.15 -4.43 117.16 110.13 1d0i n TYR 28 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1d0i n TYR 28 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 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 1.39 -2.09 0.23 2.72 0.00 0.12 -4.64 105.19 102.91 1d0i n GLY 29 Ca 0.05 -1.52 0.02 0.00 0.00 0.00 0.00 46.02 44.57 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 0.75 2.20 -4.84 1.61 3.41 -1.26 -4.18 113.62 111.31 1d0i n SER 30 Ca 0.00 -1.88 -0.32 0.00 -0.26 0.00 0.00 58.87 56.41 1d0i n SER 30 Cb 0.00 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 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 -0.91 6.72 0.66 4.04 1.01 -1.26 -4.74 116.67 122.20 1d0i s ASP 31 Ca 0.08 1.48 0.03 0.00 0.71 0.00 0.00 52.55 54.85 1d0i s ASP 31 Cb 0.04 -2.46 0.11 0.00 1.01 0.00 0.00 42.92 41.62 1d0i s ASP 31 CO 0.06 -0.43 0.91 0.42 0.21 0.00 0.00 175.17 176.35 1d0i s THR 32 N -2.35 2.18 0.25 -1.27 -4.23 -1.26 -3.05 115.64 105.91 1d0i s THR 32 Ca 0.58 -0.73 0.01 0.00 -1.18 0.00 0.00 61.69 60.37 1d0i s THR 32 Cb -0.10 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.33 1d0i s THR 32 CO 0.24 0.00 1.65 0.25 -0.54 0.00 0.00 174.62 176.22 1d0i h LEU 33 N -0.26 0.49 -0.84 4.79 5.85 -1.81 -1.67 115.31 121.86 1d0i h LEU 33 Ca -0.35 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.20 1d0i h LEU 33 Cb 1.27 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1d0i h LEU 33 CO 0.41 0.81 0.54 0.00 -0.34 0.00 0.00 178.44 179.87 1d0i h ALA 34 N 1.21 1.10 -0.55 1.25 0.00 -1.94 0.32 119.26 120.66 1d0i h ALA 34 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1d0i h ALA 34 Cb 0.82 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1d0i h ALA 34 CO 0.07 0.40 0.24 -0.44 0.00 0.00 0.00 179.25 179.51 1d0i h ASP 35 N 1.07 0.70 -0.52 0.00 3.32 -1.71 -1.59 116.42 117.70 1d0i h ASP 35 Ca 0.33 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.18 1d0i h ASP 35 Cb -0.03 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1d0i h ASP 35 CO -0.10 0.62 -0.14 0.58 -1.72 0.00 0.00 179.24 178.47 1d0i h VAL 36 N 0.77 1.27 -0.75 -1.35 2.07 -0.46 -2.27 116.25 115.53 1d0i h VAL 36 Ca 0.19 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1d0i h VAL 36 Cb 0.12 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1d0i h VAL 36 CO -0.02 0.46 0.42 -0.08 0.02 0.00 0.00 177.57 178.37 1d0i h GLU 37 N 0.88 1.02 -0.46 1.57 4.81 -0.52 -1.68 114.58 120.20 1d0i h GLU 37 Ca 0.13 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1d0i h GLU 37 Cb 0.72 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1d0i h GLU 37 CO 0.05 0.74 -0.08 0.00 -0.73 0.00 0.00 179.01 178.99 1d0i h ALA 38 N 1.43 0.63 -0.82 2.92 0.00 -0.91 -1.14 119.26 121.37 1d0i h ALA 38 Ca 0.27 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1d0i h ALA 38 Cb -0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 1d0i h ALA 38 CO -0.05 0.50 0.49 -0.07 0.00 0.00 0.00 179.25 180.12 1d0i h LEU 39 N 0.71 0.75 -0.31 0.00 3.38 -1.04 -0.77 115.31 118.03 1d0i h LEU 39 Ca 0.12 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1d0i h LEU 39 Cb 0.61 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1d0i h LEU 39 CO 0.04 0.46 0.09 0.00 0.09 0.00 0.00 178.44 179.13 1d0i h VAL 41 N 0.34 0.95 -0.11 0.00 2.07 -0.64 -0.18 116.25 118.68 1d0i h VAL 41 Ca 0.10 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1d0i h VAL 41 Cb 0.25 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1d0i h VAL 41 CO -0.00 0.07 0.06 0.50 0.02 0.00 0.00 177.57 178.22 1d0i h LYS 42 N 0.41 0.15 -0.36 1.57 3.64 -1.06 0.18 116.57 121.09 1d0i h LYS 42 Ca 0.19 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1d0i h LYS 42 Cb 0.11 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1d0i h LYS 42 CO -0.15 0.18 0.21 0.00 -2.27 0.00 0.00 179.45 177.42 1d0i h ALA 43 N 0.96 0.46 -0.68 5.00 0.00 -0.92 -2.30 119.26 121.77 1d0i h ALA 43 Ca 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1d0i h ALA 43 Cb 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1d0i h ALA 43 CO -0.01 -0.14 0.26 0.00 0.00 0.00 0.00 179.25 179.36 1d0i h ALA 44 N 1.17 0.88 -0.07 0.00 0.00 -0.84 -3.10 119.26 117.30 1d0i h ALA 44 Ca 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1d0i h ALA 44 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1d0i h ALA 44 CO -0.07 0.52 -0.13 0.00 0.00 0.00 0.00 179.25 179.57 1d0i h ALA 45 N 1.11 1.67 0.00 0.00 0.00 -0.25 0.80 119.26 122.59 1d0i h ALA 45 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1d0i h ALA 45 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1d0i h ALA 45 CO -0.02 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1d0i h ALA 46 N 1.78 1.00 -0.26 0.00 0.00 -1.34 -0.77 119.26 119.66 1d0i h ALA 46 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1d0i h ALA 46 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1d0i h ALA 46 CO 0.02 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.99 1d0i n HIS 47 N -2.53 0.44 -1.06 0.00 8.25 -0.14 -4.95 115.22 115.23 1d0i n HIS 47 Ca -0.01 -0.58 -0.02 0.00 -0.26 0.00 0.00 57.72 56.85 1d0i n HIS 47 Cb 0.11 -0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 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 0.12 0.55 3.62 -1.41 0.00 -0.29 -4.85 105.19 102.92 1d0i n GLY 48 Ca 0.11 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 1d0i n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d0i n GLY 49 N -2.64 3.21 3.26 -0.02 0.00 0.09 -4.39 105.19 104.71 1d0i n GLY 49 Ca -0.02 -2.34 -0.14 0.00 0.00 0.00 0.00 46.02 43.52 1d0i n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1d0i s THR 50 N -2.73 0.50 0.04 2.61 -4.23 -1.26 -3.23 115.64 107.35 1d0i s THR 50 Ca 0.13 -1.99 0.05 0.00 -1.18 0.00 0.00 61.69 58.71 1d0i s THR 50 Cb -0.01 -2.38 -0.02 0.00 1.34 0.00 0.00 72.50 71.43 1d0i s THR 50 CO 0.09 -0.22 -0.15 0.68 -0.54 0.00 0.00 174.62 174.48 1d0i s VAL 51 N -3.79 1.17 -0.57 2.29 -7.23 -1.26 -0.88 120.40 110.13 1d0i s VAL 51 Ca 0.32 -1.05 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 1d0i s VAL 51 Cb 0.07 -1.06 0.15 0.00 0.56 0.00 0.00 36.38 36.09 1d0i s VAL 51 CO 0.09 0.00 0.35 -0.62 -0.31 0.00 0.00 175.10 174.61 1d0i s ASP 52 N -1.20 4.79 -0.15 4.85 -1.08 0.04 -4.87 116.67 119.05 1d0i s ASP 52 Ca 0.02 -2.93 -0.20 0.00 -0.52 0.00 0.00 52.55 48.91 1d0i s ASP 52 Cb -0.08 -1.75 -0.03 0.00 -1.46 0.00 0.00 42.92 39.60 1d0i s ASP 52 CO 0.01 -0.30 0.59 0.12 0.52 0.00 0.00 175.17 176.11 1d0i s PHE 53 N -0.17 3.46 0.05 -5.34 2.19 -1.26 -1.65 117.98 115.25 1d0i s PHE 53 Ca 0.17 0.97 -0.01 0.00 0.33 0.00 0.00 56.93 58.40 1d0i s PHE 53 Cb -0.23 -2.72 -0.04 0.00 -1.31 0.00 0.00 43.02 38.73 1d0i s PHE 53 CO -0.02 -0.01 -0.03 1.03 1.83 0.00 0.00 175.22 178.01 1d0i s ARG 54 N 1.28 0.58 -0.03 10.12 0.52 0.11 -4.98 118.95 126.55 1d0i s ARG 54 Ca 0.29 -1.12 -0.06 0.00 -0.52 0.00 0.00 55.73 54.32 1d0i s ARG 54 Cb -0.16 0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.46 1d0i s ARG 54 CO 0.12 -0.09 0.14 -1.14 0.02 0.00 0.00 175.30 174.35 1d0i s GLN 55 N -3.46 0.32 -0.01 3.54 -0.44 -1.26 -1.10 119.66 117.25 1d0i s GLN 55 Ca 0.03 -0.08 -0.27 0.00 -2.50 0.00 0.00 55.36 52.54 1d0i s GLN 55 Cb 0.04 0.14 0.06 0.00 -1.64 0.00 0.00 33.01 31.61 1d0i s GLN 55 CO -0.08 -0.06 0.60 0.45 0.50 0.00 0.00 175.29 176.70 1d0i s SER 56 N -0.61 -0.55 0.00 6.67 0.15 -0.48 -4.98 113.70 113.90 1d0i s SER 56 Ca -0.07 0.48 0.26 0.00 0.70 0.00 0.00 55.95 57.32 1d0i s SER 56 Cb -0.04 0.51 0.69 0.00 -1.71 0.00 0.00 66.02 65.46 1d0i s SER 56 CO 0.01 -0.64 1.52 0.59 1.20 0.00 0.00 173.24 175.92 1d0i n ASN 57 N 0.75 1.08 -4.47 5.45 3.02 -1.26 -2.67 115.26 117.15 1d0i n ASN 57 Ca -0.19 -0.91 -0.40 0.00 -0.03 0.00 0.00 54.58 53.05 1d0i n ASN 57 Cb 0.58 0.17 -0.11 0.00 -0.61 0.00 0.00 39.78 39.81 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 -2.52 3.21 0.25 3.10 3.76 -1.26 -4.72 115.29 117.12 1d0i s HIS 58 Ca 0.23 -0.46 -0.03 0.00 -0.15 0.00 0.00 55.06 54.65 1d0i s HIS 58 Cb 0.19 -2.44 0.45 0.00 1.11 0.00 0.00 32.58 31.89 1d0i s HIS 58 CO 0.53 -0.45 1.81 1.49 -0.85 0.00 0.00 174.74 177.27 1d0i h GLU 59 N 8.45 0.78 -0.48 1.40 4.81 -2.00 -1.56 114.58 125.97 1d0i h GLU 59 Ca -0.30 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.81 1d0i h GLU 59 Cb 1.14 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 1d0i h GLU 59 CO 0.64 0.51 0.02 0.78 -0.73 0.00 0.00 179.01 180.24 1d0i h GLY 60 N 0.80 0.84 1.09 1.92 0.00 -1.99 -1.07 103.07 104.67 1d0i h GLY 60 Ca 0.43 -0.54 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 1d0i h GLY 60 CO -0.27 0.50 -0.12 -2.09 0.00 0.00 0.00 176.54 174.57 1d0i h GLU 61 N 0.74 1.03 -0.52 4.80 4.81 -1.76 0.04 114.58 123.70 1d0i h GLU 61 Ca 0.15 -0.39 0.04 0.00 -0.13 0.00 0.00 59.36 59.03 1d0i h GLU 61 Cb 0.41 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1d0i h GLU 61 CO 0.01 1.07 0.27 -0.07 -0.73 0.00 0.00 179.01 179.57 1d0i h LEU 62 N 0.90 0.41 0.02 1.64 3.38 -0.83 -0.34 115.31 120.48 1d0i h LEU 62 Ca 0.14 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1d0i h LEU 62 Cb 0.69 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1d0i h LEU 62 CO 0.05 0.28 -0.06 0.58 0.09 0.00 0.00 178.44 179.38 1d0i h VAL 63 N 0.54 0.84 -0.99 1.22 2.07 -0.97 -0.98 116.25 117.98 1d0i h VAL 63 Ca 0.22 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.88 1d0i h VAL 63 Cb 0.11 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 1d0i h VAL 63 CO -0.14 0.00 0.62 0.44 0.02 0.00 0.00 177.57 178.51 1d0i h ASP 64 N -0.12 0.87 0.41 0.57 3.32 -0.49 -1.40 116.42 119.58 1d0i h ASP 64 Ca 0.02 0.05 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 1d0i h ASP 64 Cb 0.15 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1d0i h ASP 64 CO -0.06 0.44 -0.56 -0.50 -1.72 0.00 0.00 179.24 176.84 1d0i h TRP 65 N 0.92 0.21 -0.60 4.55 6.55 -0.76 -1.96 115.95 124.86 1d0i h TRP 65 Ca 0.50 -0.07 -0.06 0.00 0.95 0.00 0.00 58.89 60.21 1d0i h TRP 65 Cb 0.57 -0.04 -0.02 0.00 -0.86 0.00 0.00 29.16 28.81 1d0i h TRP 65 CO -0.00 0.69 0.16 0.82 -1.05 0.00 0.00 178.44 179.05 1d0i h ILE 66 N 0.12 1.25 -0.86 1.49 2.04 -0.17 -0.87 117.51 120.52 1d0i h ILE 66 Ca -0.00 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.01 1d0i h ILE 66 Cb 1.03 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 1d0i h ILE 66 CO 0.08 0.33 0.54 0.45 0.00 0.00 0.00 178.15 179.56 1d0i h HIS 67 N 0.87 1.02 -0.67 1.37 3.86 -0.90 -1.33 115.15 119.37 1d0i h HIS 67 Ca 0.19 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 1d0i h HIS 67 Cb 0.34 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 1d0i h HIS 67 CO 0.02 0.57 0.33 0.93 0.86 0.00 0.00 177.93 180.64 1d0i h GLU 68 N 1.04 0.95 -0.07 2.45 5.08 -0.81 -2.69 114.58 120.53 1d0i h GLU 68 Ca 0.35 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1d0i h GLU 68 Cb 0.06 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1d0i h GLU 68 CO -0.13 0.75 -0.02 0.00 -1.00 0.00 0.00 179.01 178.60 1d0i h ALA 69 N 1.16 1.83 -0.71 3.43 0.00 -0.07 -0.42 119.26 124.47 1d0i h ALA 69 Ca 0.23 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1d0i h ALA 69 Cb 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1d0i h ALA 69 CO -0.03 0.14 0.47 0.00 0.00 0.00 0.00 179.25 179.82 1d0i h ARG 70 N 0.10 0.81 0.00 0.00 3.08 -1.04 -1.98 114.38 115.36 1d0i h ARG 70 Ca 0.03 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1d0i h ARG 70 Cb 0.12 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1d0i h ARG 70 CO 0.00 0.54 -1.56 1.28 -1.07 0.00 0.00 179.97 179.16 1d0i n LEU 71 N -4.46 0.38 0.00 3.04 4.77 -0.27 -4.75 117.00 115.71 1d0i n LEU 71 Ca 0.09 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1d0i n LEU 71 Cb 0.14 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1d0i n LEU 71 CO 0.35 -0.07 -0.08 0.59 -1.33 0.00 0.00 177.39 176.84 1d0i n ASN 72 N -2.46 0.83 -4.67 -1.43 3.02 -0.60 -5.11 115.26 104.85 1d0i n ASN 72 Ca -0.03 -0.22 -0.24 0.00 -0.03 0.00 0.00 54.58 54.06 1d0i n ASN 72 Cb 0.57 0.61 -0.08 0.00 -0.61 0.00 0.00 39.78 40.28 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 -0.78 2.62 -1.45 3.10 3.76 -0.76 -4.23 115.29 117.55 1d0i s HIS 73 Ca 0.00 -0.39 0.25 0.00 -0.15 0.00 0.00 55.06 54.76 1d0i s HIS 73 Cb 0.00 -1.52 0.40 0.00 1.11 0.00 0.00 32.58 32.57 1d0i s HIS 73 CO 0.00 0.44 1.34 0.00 -0.85 0.00 0.00 174.74 175.67 1d0i n GLY 75 N 1.43 0.39 2.97 0.00 0.00 -1.26 -4.39 105.19 104.32 1d0i n GLY 75 Ca 0.08 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 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 0.69 -0.35 -0.61 1.01 0.66 -1.64 121.20 118.97 1d0i s ILE 76 Ca 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 1d0i s ILE 76 Cb 0.00 -0.63 0.03 0.00 0.01 0.00 0.00 42.46 41.87 1d0i s ILE 76 CO 0.00 0.23 0.15 -0.69 0.00 0.00 0.00 174.94 174.63 1d0i s VAL 77 N 0.32 4.22 -0.10 2.92 1.01 0.06 -1.17 120.40 127.66 1d0i s VAL 77 Ca -0.05 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1d0i s VAL 77 Cb -0.09 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 1d0i s VAL 77 CO 0.00 -0.18 -0.23 -0.51 0.00 0.00 0.00 175.10 174.19 1d0i s ILE 78 N 1.49 2.19 -0.50 2.22 2.07 -0.30 -0.13 121.20 128.25 1d0i s ILE 78 Ca 0.01 -0.98 0.01 0.00 -1.41 0.00 0.00 60.65 58.28 1d0i s ILE 78 Cb -0.19 -1.84 0.13 0.00 0.13 0.00 0.00 42.46 40.69 1d0i s ILE 78 CO 0.05 0.56 0.26 0.21 -1.91 0.00 0.00 174.94 174.11 1d0i s ASN 79 N 0.27 4.84 0.17 4.50 3.84 0.10 -1.05 114.94 127.61 1d0i s ASN 79 Ca -0.16 -2.63 0.20 0.00 0.21 0.00 0.00 52.86 50.48 1d0i s ASN 79 Cb -0.17 -1.73 0.85 0.00 -0.55 0.00 0.00 41.25 39.64 1d0i s ASN 79 CO 0.08 -0.36 1.62 -2.65 -2.79 0.00 0.00 177.10 173.01 1d0i n PRO 80 N 3.70 0.13 0.00 0.43 -0.02 -1.26 0.24 135.00 138.21 1d0i n PRO 80 Ca 0.04 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1d0i n PRO 80 Cb 0.37 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 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 -1.68 0.00 0.23 3.55 0.00 -1.26 -1.71 120.51 119.64 1d0i n ALA 81 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.53 1d0i n ALA 81 Cb 0.21 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.46 1.69 0.00 0.00 0.00 -1.93 -1.34 119.26 117.23 1d0i h ALA 82 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1d0i h ALA 82 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1d0i h ALA 82 CO 0.00 0.21 0.00 0.66 0.00 0.00 0.00 179.25 180.12 1d0i n TYR 83 N -4.29 0.15 -0.36 0.00 4.01 -0.70 -2.08 117.16 113.89 1d0i n TYR 83 Ca -0.02 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1d0i n TYR 83 Cb 0.23 -0.60 0.14 0.00 -0.31 0.00 0.00 39.34 38.80 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 1.04 1.33 7.72 0.02 -1.30 0.31 113.55 122.66 1d0i h SER 84 Ca 0.00 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1d0i h SER 84 Cb 0.19 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1d0i h SER 84 CO 0.00 0.70 -0.68 0.45 -1.14 0.00 0.00 176.83 176.16 1d0i h HIS 85 N 1.20 0.00 0.00 3.45 3.86 -1.58 0.27 115.15 122.35 1d0i h HIS 85 Ca 0.39 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.58 1d0i h HIS 85 Cb 0.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1d0i h HIS 85 CO -0.01 0.08 -1.21 0.25 0.86 0.00 0.00 177.93 177.91 1d0i n THR 86 N -2.87 0.11 -3.20 2.45 -2.24 -1.09 -4.82 114.28 102.62 1d0i n THR 86 Ca 0.01 -0.12 -0.46 0.00 -2.27 0.00 0.00 64.05 61.21 1d0i n THR 86 Cb 0.58 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 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 -2.88 6.46 0.28 3.42 0.15 0.08 -4.82 113.70 116.39 1d0i s SER 87 Ca -0.02 -2.05 -0.01 0.00 0.70 0.00 0.00 55.95 54.57 1d0i s SER 87 Cb 0.02 -2.27 0.40 0.00 -1.71 0.00 0.00 66.02 62.46 1d0i s SER 87 CO 0.16 -0.86 1.82 0.58 1.20 0.00 0.00 173.24 176.13 1d0i h VAL 88 N 5.49 1.23 -0.90 4.45 2.07 -1.94 -2.97 116.25 123.68 1d0i h VAL 88 Ca -0.08 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.65 1d0i h VAL 88 Cb 1.06 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 1d0i h VAL 88 CO 0.97 0.31 0.58 0.00 0.02 0.00 0.00 177.57 179.44 1d0i h ALA 89 N 1.34 1.20 -0.13 1.67 0.00 -1.97 0.35 119.26 121.72 1d0i h ALA 89 Ca 0.17 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.83 1d0i h ALA 89 Cb 0.31 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1d0i h ALA 89 CO 0.00 0.40 -0.78 0.82 0.00 0.00 0.00 179.25 179.69 1d0i h ILE 90 N 1.10 1.30 -0.47 0.00 2.04 -1.91 -0.82 117.51 118.75 1d0i h ILE 90 Ca 0.37 -2.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.21 1d0i h ILE 90 Cb 0.06 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 1d0i h ILE 90 CO -0.14 0.63 0.28 0.25 0.00 0.00 0.00 178.15 179.17 1d0i h LEU 91 N 0.48 0.57 -0.98 1.44 5.85 -1.32 -1.18 115.31 120.18 1d0i h LEU 91 Ca -0.05 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 1d0i h LEU 91 Cb 1.40 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1d0i h LEU 91 CO 0.16 0.47 -0.29 0.44 -0.34 0.00 0.00 178.44 178.88 1d0i h ASP 92 N 0.63 0.40 -0.60 1.25 3.32 -0.69 -1.97 116.42 118.75 1d0i h ASP 92 Ca 0.17 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1d0i h ASP 92 Cb 0.01 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1d0i h ASP 92 CO -0.03 0.68 0.27 0.00 -1.72 0.00 0.00 179.24 178.43 1d0i h ALA 93 N 1.35 0.78 -0.17 3.45 0.00 -0.70 -2.60 119.26 121.37 1d0i h ALA 93 Ca 0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1d0i h ALA 93 Cb 0.68 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1d0i h ALA 93 CO 0.05 0.36 -0.15 -0.07 0.00 0.00 0.00 179.25 179.44 1d0i h LEU 94 N 0.82 0.26 -0.53 0.00 3.38 -0.84 -2.65 115.31 115.76 1d0i h LEU 94 Ca 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1d0i h LEU 94 Cb 0.16 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1d0i h LEU 94 CO -0.02 0.44 0.00 0.78 0.09 0.00 0.00 178.44 179.73 1d0i h ASN 95 N 0.26 0.00 0.47 -0.43 2.35 -1.15 -3.06 115.58 114.02 1d0i h ASN 95 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1d0i h ASN 95 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1d0i h ASN 95 CO 0.03 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.16 1d0i n THR 96 N -2.42 0.25 -3.46 2.81 -2.24 -1.00 -4.17 114.28 104.06 1d0i n THR 96 Ca 0.03 0.06 -0.28 0.00 -2.27 0.00 0.00 64.05 61.60 1d0i n THR 96 Cb 0.32 -0.67 -0.11 0.00 -2.10 0.00 0.00 70.33 67.78 1d0i n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d0i n ASP 98 N 3.09 -0.61 0.19 0.00 8.00 -1.26 -2.37 116.55 123.59 1d0i n ASP 98 Ca 0.24 1.64 0.12 0.00 0.71 0.00 0.00 54.79 57.51 1d0i n ASP 98 Cb 0.44 -0.38 0.25 0.00 -0.02 0.00 0.00 41.12 41.41 1d0i n ASP 98 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1d0i h GLY 99 N 0.00 0.00 -5.35 0.44 0.00 -1.95 -3.46 103.07 92.75 1d0i h GLY 99 Ca 0.33 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.12 1d0i h GLY 99 CO -0.93 0.00 1.20 -2.27 0.00 0.00 0.00 176.54 174.53 1d0i s LEU 100 N -5.75 4.39 0.16 3.11 2.96 -1.00 -4.92 118.68 117.62 1d0i s LEU 100 Ca 0.08 2.54 -0.31 0.00 -0.22 0.00 0.00 54.13 56.21 1d0i s LEU 100 Cb 0.07 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 43.13 1d0i s LEU 100 CO 0.64 -1.03 1.52 -2.84 -1.32 0.00 0.00 176.35 173.33 1d0i s PRO 101 N 4.36 4.24 -0.04 0.98 0.02 -1.26 -4.88 135.00 138.42 1d0i s PRO 101 Ca 0.84 2.30 0.02 0.00 0.02 0.00 0.00 61.00 64.18 1d0i s PRO 101 Cb -0.40 -3.17 0.01 0.00 0.02 0.00 0.00 34.50 30.96 1d0i s PRO 101 CO 0.38 -0.56 -0.08 0.08 -0.33 0.00 0.00 177.00 176.49 1d0i s VAL 102 N 1.10 0.76 -0.11 3.83 1.01 -1.26 -0.24 120.40 125.48 1d0i s VAL 102 Ca 0.68 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1d0i s VAL 102 Cb -0.42 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1d0i s VAL 102 CO 0.31 0.26 -0.11 -0.69 0.00 0.00 0.00 175.10 174.87 1d0i s VAL 103 N 0.65 1.26 -0.01 2.92 1.01 -0.32 -0.20 120.40 125.71 1d0i s VAL 103 Ca -0.10 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 1d0i s VAL 103 Cb -0.13 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1d0i s VAL 103 CO 0.01 0.40 0.62 -0.70 0.00 0.00 0.00 175.10 175.43 1d0i s GLU 104 N 1.31 4.34 -0.05 2.72 2.12 -0.13 -1.14 118.70 127.87 1d0i s GLU 104 Ca -0.01 0.77 0.05 0.00 0.36 0.00 0.00 54.97 56.13 1d0i s GLU 104 Cb -0.14 -3.35 -0.00 0.00 0.26 0.00 0.00 34.13 30.89 1d0i s GLU 104 CO -0.05 0.33 -0.19 0.08 -0.54 0.00 0.00 175.26 174.89 1d0i s VAL 105 N -0.08 1.55 -0.11 3.70 1.01 -0.21 -0.03 120.40 126.21 1d0i s VAL 105 Ca 0.32 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1d0i s VAL 105 Cb -0.18 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1d0i s VAL 105 CO 0.18 0.44 -0.13 -1.00 0.00 0.00 0.00 175.10 174.59 1d0i s HIS 106 N 0.00 1.86 0.10 5.22 3.76 -0.17 -4.15 115.29 121.91 1d0i s HIS 106 Ca -0.04 -0.91 -0.24 0.00 -0.15 0.00 0.00 55.06 53.72 1d0i s HIS 106 Cb -0.12 -1.38 -0.12 0.00 1.11 0.00 0.00 32.58 32.06 1d0i s HIS 106 CO 0.02 -0.51 1.71 0.82 -0.85 0.00 0.00 174.74 175.94 1d0i h ILE 107 N 6.03 0.85 -3.98 0.60 2.04 -1.86 -1.19 117.51 120.01 1d0i h ILE 107 Ca -0.33 0.00 -0.49 0.00 1.00 0.00 0.00 64.86 65.05 1d0i h ILE 107 Cb 1.16 0.85 0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1d0i h ILE 107 CO 0.48 0.00 0.26 -0.94 0.00 0.00 0.00 178.15 177.95 1d0i s SER 108 N -5.09 6.50 -0.89 1.72 1.04 -1.26 -2.28 113.70 113.45 1d0i s SER 108 Ca -0.14 1.33 -0.23 0.00 0.48 0.00 0.00 55.95 57.39 1d0i s SER 108 Cb 0.07 -2.41 0.06 0.00 0.10 0.00 0.00 66.02 63.84 1d0i s SER 108 CO 0.66 -0.55 1.29 0.21 0.98 0.00 0.00 173.24 175.82 1d0i s ASN 109 N -3.34 6.40 0.57 7.02 3.84 -1.26 -1.86 114.94 126.31 1d0i s ASN 109 Ca 0.55 -1.26 0.27 0.00 0.21 0.00 0.00 52.86 52.62 1d0i s ASN 109 Cb -0.10 -2.52 1.54 0.00 -0.55 0.00 0.00 41.25 39.62 1d0i s ASN 109 CO 0.35 -1.50 2.05 0.16 -2.79 0.00 0.00 177.10 175.37 1d0i h ILE 110 N 6.33 0.56 0.00 -5.21 3.07 -1.92 -0.91 117.51 119.43 1d0i h ILE 110 Ca 0.02 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.43 1d0i h ILE 110 Cb 1.03 0.79 0.00 0.00 -0.27 0.00 0.00 36.82 38.37 1d0i h ILE 110 CO 1.30 0.00 0.00 0.45 -1.05 0.00 0.00 178.15 178.85 1d0i h HIS 111 N 0.00 0.00 -0.01 0.16 3.86 -1.89 -2.80 115.15 114.47 1d0i h HIS 111 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1d0i h HIS 111 Cb 0.69 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1d0i h HIS 111 CO 0.00 0.00 -0.18 1.04 0.86 0.00 0.00 177.93 179.65 1d0i n GLN 112 N -2.79 1.36 0.00 2.45 6.02 -0.35 -4.97 117.38 119.10 1d0i n GLN 112 Ca 0.01 -0.92 0.00 0.00 -0.01 0.00 0.00 57.00 56.08 1d0i n GLN 112 Cb 0.26 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.04 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 -0.01 3.55 -1.75 -1.09 1.74 -1.06 -5.06 116.66 112.98 1d0i n ARG 113 Ca 0.14 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.86 1d0i n ARG 113 Cb 0.41 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.91 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 3.11 2.58 0.34 5.56 8.01 -1.26 -4.87 118.70 132.17 1d0i s GLU 114 Ca 0.00 1.94 0.09 0.00 0.01 0.00 0.00 54.97 57.00 1d0i s GLU 114 Cb 0.00 -1.86 0.81 0.00 -4.31 0.00 0.00 34.13 28.77 1d0i s GLU 114 CO 0.00 -1.54 1.82 -1.35 0.01 0.00 0.00 175.26 174.19 1d0i h PRO 115 N 0.46 0.68 0.00 0.39 0.11 -1.96 0.48 132.00 132.15 1d0i h PRO 115 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1d0i h PRO 115 Cb 1.32 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1d0i h PRO 115 CO 0.53 0.45 0.00 0.27 -0.21 0.00 0.00 178.00 179.04 1d0i h PHE 116 N 0.70 0.00 -0.00 0.65 -5.15 -1.97 -1.76 116.94 109.41 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 0.90 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.07 1d0i h PHE 116 CO -0.00 0.00 -0.20 0.54 -2.00 0.00 0.00 178.31 176.64 1d0i n ARG 117 N -2.86 0.39 0.20 6.09 1.74 0.16 -4.26 116.66 118.12 1d0i n ARG 117 Ca 0.00 -0.15 0.06 0.00 -0.77 0.00 0.00 57.85 56.99 1d0i n ARG 117 Cb 0.23 -1.50 0.43 0.00 -1.02 0.00 0.00 32.46 30.60 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 0.37 0.00 -3.17 -1.55 3.86 -1.36 -3.44 115.15 109.87 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 0.44 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.77 1d0i h HIS 118 CO 0.00 0.32 -0.58 -1.58 0.86 0.00 0.00 177.93 176.95 1d0i s HIS 119 N -3.86 3.27 -0.06 2.45 5.65 -1.26 -4.88 115.29 116.60 1d0i s HIS 119 Ca -0.01 0.20 0.02 0.00 0.25 0.00 0.00 55.06 55.52 1d0i s HIS 119 Cb 0.12 -1.92 0.01 0.00 -1.18 0.00 0.00 32.58 29.61 1d0i s HIS 119 CO 0.67 0.40 -0.12 0.45 -0.65 0.00 0.00 174.74 175.49 1d0i s SER 120 N -0.45 1.79 0.40 9.88 0.15 -1.26 -4.18 113.70 120.03 1d0i s SER 120 Ca 0.09 -0.30 0.12 0.00 0.70 0.00 0.00 55.95 56.57 1d0i s SER 120 Cb -0.12 -0.81 0.83 0.00 -1.71 0.00 0.00 66.02 64.21 1d0i s SER 120 CO 0.02 0.04 1.90 1.88 1.20 0.00 0.00 173.24 178.28 1d0i h TYR 121 N 6.92 0.06 0.00 3.44 0.05 -1.25 -3.08 116.97 123.12 1d0i h TYR 121 Ca -0.31 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.36 1d0i h TYR 121 Cb 1.19 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.90 1d0i h TYR 121 CO 0.48 0.31 -0.48 0.28 -1.05 0.00 0.00 178.16 177.70 1d0i h VAL 122 N 0.06 1.32 -0.01 -2.88 2.07 -1.88 -3.19 116.25 111.73 1d0i h VAL 122 Ca 0.01 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1d0i h VAL 122 Cb 0.47 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1d0i h VAL 122 CO 0.03 0.47 0.01 0.28 0.02 0.00 0.00 177.57 178.38 1d0i h SER 123 N 0.00 0.00 1.08 0.57 0.02 -1.90 0.12 113.55 113.45 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 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1d0i h SER 123 CO 0.06 0.00 0.00 0.06 -1.14 0.00 0.00 176.83 175.81 1d0i h GLN 124 N 0.00 0.00 0.00 3.45 -0.00 -1.73 -3.29 115.11 113.54 1d0i h GLN 124 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.40 1d0i h GLN 124 Cb 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.46 1d0i h GLN 124 CO -0.00 0.00 -1.97 -2.13 -0.00 0.00 0.00 178.83 174.73 1d0i n ARG 125 N -2.39 1.44 -1.76 0.06 3.00 -0.14 -5.02 116.66 111.86 1d0i n ARG 125 Ca 0.03 0.02 -0.41 0.00 -0.00 0.00 0.00 57.85 57.49 1d0i n ARG 125 Cb 0.32 -1.36 -0.00 0.00 0.00 0.00 0.00 32.46 31.42 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 -2.63 2.14 0.03 5.13 0.00 0.24 -4.87 120.51 120.56 1d0i n ALA 126 Ca -0.25 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 1d0i n ALA 126 Cb 0.93 -2.39 -0.08 0.00 0.00 0.00 0.00 19.45 17.91 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 2.97 -0.00 -3.98 0.00 3.32 -0.93 -3.45 116.42 114.34 1d0i h ASP 127 Ca -0.49 -0.13 -0.34 0.00 0.02 0.00 0.00 57.03 56.09 1d0i h ASP 127 Cb 1.25 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.65 1d0i h ASP 127 CO 0.64 0.13 -0.72 -0.83 -1.72 0.00 0.00 179.24 176.74 1d0i s GLY 128 N -2.45 1.06 -0.04 2.75 0.00 -1.23 -5.07 107.32 102.34 1d0i s GLY 128 Ca -0.14 -1.46 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 1d0i s GLY 128 CO 0.66 -1.55 0.05 0.14 0.00 0.00 0.00 173.10 172.39 1d0i s VAL 129 N -3.16 -0.04 -0.16 1.40 1.01 -1.26 -0.96 120.40 117.24 1d0i s VAL 129 Ca 0.15 0.34 -0.00 0.00 0.00 0.00 0.00 61.98 62.47 1d0i s VAL 129 Cb 0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.21 1d0i s VAL 129 CO 0.01 0.17 -0.14 -0.69 0.00 0.00 0.00 175.10 174.45 1d0i s VAL 130 N 1.88 2.74 0.01 2.92 1.01 0.95 -4.98 120.40 124.93 1d0i s VAL 130 Ca 0.01 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1d0i s VAL 130 Cb -0.12 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1d0i s VAL 130 CO -0.03 0.51 -0.07 0.00 0.00 0.00 0.00 175.10 175.50 1d0i s ALA 131 N 0.88 0.60 -0.80 5.51 0.00 -1.26 -1.00 121.76 125.70 1d0i s ALA 131 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1d0i s ALA 131 Cb -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1d0i s ALA 131 CO -0.01 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.26 1d0i n GLY 132 N 2.43 0.94 1.73 0.00 0.00 -0.45 -4.76 105.19 105.08 1d0i n GLY 132 Ca -0.16 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.44 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 0.78 0.14 0.28 0.00 0.00 -0.97 -2.64 105.19 102.79 1d0i n GLY 134 Ca 0.26 -0.98 0.16 0.00 0.00 0.00 0.00 46.02 45.46 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 0.26 -0.28 1.61 -1.51 -1.88 -1.21 116.25 113.24 1d0i h VAL 135 Ca 0.00 -0.48 0.08 0.00 -1.23 0.00 0.00 66.70 65.07 1d0i h VAL 135 Cb 0.00 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 1d0i h VAL 135 CO 0.00 0.07 0.20 -0.61 -1.23 0.00 0.00 177.57 175.99 1d0i h GLN 136 N 0.00 0.02 -0.42 5.19 4.15 -1.96 -0.91 115.11 121.18 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 0.37 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1d0i h GLN 136 CO 0.01 0.01 0.31 0.78 -1.93 0.00 0.00 178.83 178.01 1d0i h GLY 137 N 0.02 0.00 1.37 2.39 0.00 -0.97 -1.30 103.07 104.58 1d0i h GLY 137 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.36 1d0i h GLY 137 CO -0.00 0.00 -0.18 -0.97 0.00 0.00 0.00 176.54 175.39 1d0i h TYR 138 N 0.00 0.83 -0.72 5.60 -1.99 -1.34 -0.29 116.97 119.06 1d0i h TYR 138 Ca 0.20 -0.17 -0.06 0.00 2.00 0.00 0.00 58.73 60.70 1d0i h TYR 138 Cb 0.81 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 39.30 1d0i h TYR 138 CO 0.00 0.86 0.21 0.28 -0.00 0.00 0.00 178.16 179.52 1d0i h VAL 139 N 0.66 1.26 -0.87 -2.88 2.07 -1.36 -1.07 116.25 114.05 1d0i h VAL 139 Ca 0.10 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1d0i h VAL 139 Cb 0.67 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1d0i h VAL 139 CO 0.05 0.36 0.45 -0.26 0.02 0.00 0.00 177.57 178.19 1d0i h PHE 140 N 1.06 1.22 -0.21 1.57 0.04 -1.16 0.85 116.94 120.32 1d0i h PHE 140 Ca 0.23 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.96 1d0i h PHE 140 Cb 0.32 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1d0i h PHE 140 CO 0.03 0.86 0.13 0.78 -0.60 0.00 0.00 178.31 179.50 1d0i h GLY 141 N 1.23 0.31 0.84 -1.45 0.00 -0.56 0.60 103.07 104.03 1d0i h GLY 141 Ca 0.30 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.53 1d0i h GLY 141 CO -0.04 0.13 0.37 -2.08 0.00 0.00 0.00 176.54 174.92 1d0i h VAL 142 N 0.25 1.05 -0.54 4.60 2.07 -0.73 -1.15 116.25 121.80 1d0i h VAL 142 Ca 0.08 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1d0i h VAL 142 Cb 0.03 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 1d0i h VAL 142 CO -0.01 0.13 0.16 -0.33 0.02 0.00 0.00 177.57 177.54 1d0i h GLU 143 N 0.73 0.82 -0.39 1.57 5.08 -0.43 -0.13 114.58 121.82 1d0i h GLU 143 Ca 0.25 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 1d0i h GLU 143 Cb 0.05 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1d0i h GLU 143 CO -0.12 0.72 -0.21 -0.09 -1.00 0.00 0.00 179.01 178.31 1d0i h ARG 144 N 0.79 0.82 -0.41 2.33 9.65 -0.40 -2.31 114.38 124.86 1d0i h ARG 144 Ca 0.18 -0.37 -0.00 0.00 -1.10 0.00 0.00 59.98 58.69 1d0i h ARG 144 Cb 0.25 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.79 1d0i h ARG 144 CO -0.01 1.00 0.25 0.82 2.80 0.00 0.00 179.97 184.84 1d0i h ILE 145 N 0.63 1.12 -0.44 1.20 1.08 -0.91 0.91 117.51 121.11 1d0i h ILE 145 Ca 0.08 -0.27 0.07 0.00 -0.39 0.00 0.00 64.86 64.35 1d0i h ILE 145 Cb 0.76 0.57 -0.06 0.00 -3.07 0.00 0.00 36.82 35.03 1d0i h ILE 145 CO 0.06 0.12 0.09 0.00 -0.69 0.00 0.00 178.15 177.74 1d0i h ALA 146 N 1.12 0.48 -0.73 1.87 0.00 -0.89 0.31 119.26 121.43 1d0i h ALA 146 Ca 0.15 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1d0i h ALA 146 Cb -0.02 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1d0i h ALA 146 CO -0.03 -0.31 0.20 0.00 0.00 0.00 0.00 179.25 179.12 1d0i h ALA 147 N 1.33 0.96 -0.01 0.00 0.00 -0.99 -0.15 119.26 120.39 1d0i h ALA 147 Ca 0.21 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1d0i h ALA 147 Cb 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1d0i h ALA 147 CO -0.27 0.66 -0.79 -0.07 0.00 0.00 0.00 179.25 178.78 1d0i h LEU 148 N 1.09 0.15 0.16 0.00 3.38 0.23 -3.21 115.31 117.12 1d0i h LEU 148 Ca 0.23 -0.12 -0.29 0.00 0.09 0.00 0.00 57.88 57.79 1d0i h LEU 148 Cb 0.34 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1d0i h LEU 148 CO -0.00 0.88 -1.30 0.00 0.09 0.00 0.00 178.44 178.10 1d0i h ALA 149 N 1.11 0.03 -3.00 1.53 0.00 -0.30 -3.46 119.26 115.18 1d0i h ALA 149 Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1d0i h ALA 149 Cb 1.38 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1d0i h ALA 149 CO 0.11 0.91 0.00 0.41 0.00 0.00 0.00 179.25 180.68 1d0i n GLY 150 N 1.58 -2.84 0.00 0.00 0.00 -0.08 -4.84 105.19 99.01 1d0i n GLY 150 Ca -0.10 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1d0i n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32