#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 2.56 0.94 -0.52 0.52 -1.26 -5.07 118.95 116.12 1d0i s ARG 2 Ca 0.00 -1.16 -0.15 0.00 -0.52 0.00 0.00 55.73 53.90 1d0i s ARG 2 Cb 0.00 -3.05 0.19 0.00 0.52 0.00 0.00 34.95 32.61 1d0i s ARG 2 CO 0.00 -0.52 1.30 -1.54 0.02 0.00 0.00 175.30 174.56 1d0i s SER 3 N 1.26 3.23 0.33 0.23 1.04 -1.26 -4.78 113.70 113.75 1d0i s SER 3 Ca -0.04 0.23 0.05 0.00 0.48 0.00 0.00 55.95 56.67 1d0i s SER 3 Cb -0.18 -0.30 0.59 0.00 0.10 0.00 0.00 66.02 66.22 1d0i s SER 3 CO -0.03 -2.66 1.84 -0.07 0.98 0.00 0.00 173.24 173.30 1d0i h LEU 4 N -1.55 0.44 -1.53 2.42 4.07 -1.83 -1.54 115.31 115.79 1d0i h LEU 4 Ca -0.44 -0.10 -0.05 0.00 0.08 0.00 0.00 57.88 57.37 1d0i h LEU 4 Cb 1.24 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.85 1d0i h LEU 4 CO 0.39 0.57 -0.23 0.00 -1.08 0.00 0.00 178.44 178.08 1d0i h ALA 5 N 1.48 1.61 0.00 1.53 0.00 -1.87 -3.23 119.26 118.78 1d0i h ALA 5 Ca 0.09 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1d0i h ALA 5 Cb 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1d0i h ALA 5 CO 0.02 0.29 -1.03 -0.91 0.00 0.00 0.00 179.25 177.63 1d0i h ASN 6 N 0.00 0.00 -4.56 0.00 -0.26 -1.64 -3.49 115.58 105.64 1d0i h ASN 6 Ca -0.00 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 55.75 1d0i h ASN 6 Cb 0.41 0.00 -0.21 0.00 -1.06 0.00 0.00 38.32 37.47 1d0i h ASN 6 CO 0.03 0.23 0.38 0.00 -1.06 0.00 0.00 177.43 177.01 1d0i s ALA 7 N -3.17 -1.85 0.67 -0.83 0.00 -1.07 -4.98 121.76 110.53 1d0i s ALA 7 Ca -0.00 1.42 -0.15 0.00 0.00 0.00 0.00 51.96 53.23 1d0i s ALA 7 Cb 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1d0i s ALA 7 CO 0.78 -0.36 1.11 -1.25 0.00 0.00 0.00 175.76 176.04 1d0i s PRO 8 N -1.29 2.75 -0.07 0.00 0.04 -1.26 -4.15 135.00 131.01 1d0i s PRO 8 Ca -0.06 1.39 -0.24 0.00 0.04 0.00 0.00 61.00 62.13 1d0i s PRO 8 Cb -0.00 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 1d0i s PRO 8 CO 0.05 -1.29 0.75 0.42 0.04 0.00 0.00 177.00 176.96 1d0i s ILE 9 N -2.35 5.01 -0.13 0.56 1.01 0.09 -1.17 121.20 124.21 1d0i s ILE 9 Ca 0.67 1.54 -0.24 0.00 0.00 0.00 0.00 60.65 62.62 1d0i s ILE 9 Cb -0.21 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 1d0i s ILE 9 CO 0.42 0.22 0.75 -0.32 0.00 0.00 0.00 174.94 176.02 1d0i s MET 10 N 0.94 4.34 -0.33 2.79 -2.45 -0.29 -1.10 119.30 123.20 1d0i s MET 10 Ca 0.39 0.91 -0.05 0.00 -1.25 0.00 0.00 55.69 55.70 1d0i s MET 10 Cb -0.18 -3.53 0.05 0.00 1.25 0.00 0.00 34.83 32.42 1d0i s MET 10 CO 0.19 -0.16 0.08 0.42 1.05 0.00 0.00 175.02 176.59 1d0i s ILE 11 N 1.59 3.48 -0.19 10.11 -1.09 -0.32 -0.94 121.20 133.83 1d0i s ILE 11 Ca 0.37 -1.28 -0.04 0.00 -2.23 0.00 0.00 60.65 57.46 1d0i s ILE 11 Cb -0.17 -3.01 -0.02 0.00 -1.58 0.00 0.00 42.46 37.68 1d0i s ILE 11 CO 0.15 -0.19 -0.03 -0.76 -1.23 0.00 0.00 174.94 172.88 1d0i s LEU 12 N 1.33 3.12 -0.11 2.97 1.43 0.74 -0.52 118.68 127.64 1d0i s LEU 12 Ca -0.02 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1d0i s LEU 12 Cb -0.20 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1d0i s LEU 12 CO 0.01 0.06 -0.18 0.20 0.23 0.00 0.00 176.35 176.67 1d0i s ASN 13 N 1.00 3.58 0.42 2.29 0.01 -0.25 -0.64 114.94 121.34 1d0i s ASN 13 Ca 0.01 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 51.72 1d0i s ASN 13 Cb -0.14 -1.51 0.00 0.00 0.41 0.00 0.00 41.25 40.01 1d0i s ASN 13 CO 0.01 0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.38 1d0i n GLY 14 N 3.51 -0.65 3.76 0.66 0.00 0.68 -1.63 105.19 111.52 1d0i n GLY 14 Ca -0.19 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.20 3.21 0.00 1.61 0.04 -1.07 -3.26 135.00 134.33 1d0i s PRO 15 Ca 0.00 1.95 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1d0i s PRO 15 Cb 0.00 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1d0i s PRO 15 CO 0.00 -1.05 0.00 0.09 0.04 0.00 0.00 177.00 176.08 1d0i n ASN 16 N -1.15 0.00 0.25 6.66 3.02 -1.26 -4.58 115.26 118.20 1d0i n ASN 16 Ca 0.11 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.78 1d0i n ASN 16 Cb 0.48 -0.22 0.61 0.00 -0.61 0.00 0.00 39.78 40.04 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 -2.42 3.41 3.38 -1.92 -2.23 115.31 115.53 1d0i h LEU 17 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1d0i h LEU 17 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1d0i h LEU 17 CO 0.00 0.16 0.04 -0.55 0.09 0.00 0.00 178.44 178.19 1d0i h ASN 18 N 0.00 0.00 -0.61 -0.43 -1.07 -1.88 -2.10 115.58 109.50 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 0.53 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.78 1d0i h ASN 18 CO 0.02 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.70 1d0i n LEU 19 N -2.81 4.18 -4.60 6.14 4.77 -0.84 -4.78 117.00 119.06 1d0i n LEU 19 Ca -0.02 -2.27 -0.45 0.00 -0.03 0.00 0.00 56.01 53.24 1d0i n LEU 19 Cb 0.10 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1d0i n LEU 19 CO 0.16 0.85 0.65 -0.11 -1.33 0.00 0.00 177.39 177.61 1d0i n LEU 20 N 1.10 1.94 0.00 2.23 7.94 -0.79 -1.93 117.00 127.49 1d0i n LEU 20 Ca 0.23 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.30 1d0i n LEU 20 Cb 0.73 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.39 1d0i n LEU 20 CO 0.19 -1.27 0.00 0.61 -1.11 0.00 0.00 177.39 175.81 1d0i n GLY 21 N 1.41 2.98 0.10 -3.96 0.00 -1.13 -4.02 105.19 100.57 1d0i n GLY 21 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.00 0.68 -4.16 1.61 6.02 -0.81 -4.71 117.38 113.99 1d0i n GLN 22 Ca 0.00 0.09 -0.27 0.00 -0.01 0.00 0.00 57.00 56.81 1d0i n GLN 22 Cb 0.00 -1.59 -0.07 0.00 1.02 0.00 0.00 30.24 29.60 1d0i n GLN 22 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1d0i s ARG 23 N -2.52 2.56 -0.07 -1.09 1.04 -1.26 -4.88 118.95 112.73 1d0i s ARG 23 Ca -0.12 -1.02 -0.02 0.00 -1.04 0.00 0.00 55.73 53.53 1d0i s ARG 23 Cb 0.07 -2.45 0.00 0.00 -2.04 0.00 0.00 34.95 30.53 1d0i s ARG 23 CO 0.80 0.47 0.07 0.00 -0.04 0.00 0.00 175.30 176.60 1d0i n GLN 24 N -0.16 -0.19 0.24 3.89 10.64 -1.26 -4.65 117.38 125.89 1d0i n GLN 24 Ca -0.09 0.12 0.12 0.00 -1.83 0.00 0.00 57.00 55.31 1d0i n GLN 24 Cb 0.55 -0.23 0.60 0.00 -0.86 0.00 0.00 30.24 30.29 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 0.57 0.00 -0.72 2.61 0.13 -1.90 0.35 132.00 133.03 1d0i h PRO 25 Ca -0.07 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.01 1d0i h PRO 25 Cb 0.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.25 1d0i h PRO 25 CO 0.03 0.17 0.26 0.93 -0.23 0.00 0.00 178.00 179.16 1d0i h GLU 26 N 0.00 1.09 0.00 0.86 3.07 -1.87 0.43 114.58 118.15 1d0i h GLU 26 Ca -0.00 -0.22 -0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1d0i h GLU 26 Cb 0.55 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1d0i h GLU 26 CO 0.02 0.92 -0.03 0.82 -1.40 0.00 0.00 179.01 179.34 1d0i h ILE 27 N 1.04 0.11 0.00 3.13 2.04 -1.88 -3.41 117.51 118.53 1d0i h ILE 27 Ca 0.23 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1d0i h ILE 27 Cb 0.26 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1d0i h ILE 27 CO -0.01 0.04 -0.82 -1.22 0.00 0.00 0.00 178.15 176.14 1d0i n TYR 28 N -4.76 0.14 -1.27 1.37 4.01 0.09 -4.52 117.16 112.23 1d0i n TYR 28 Ca -0.01 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1d0i n TYR 28 Cb 0.04 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 38.77 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 1.44 -2.48 0.25 2.72 0.00 0.15 -4.70 105.19 102.56 1d0i n GLY 29 Ca 0.04 -1.65 0.02 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.10 1.97 -4.81 1.61 3.41 -1.26 -4.09 113.62 110.35 1d0i n SER 30 Ca 0.00 -1.65 -0.33 0.00 -0.26 0.00 0.00 58.87 56.62 1d0i n SER 30 Cb 0.00 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 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 -0.74 6.65 0.50 4.04 1.01 -1.26 -4.68 116.67 122.18 1d0i s ASP 31 Ca 0.08 1.80 0.02 0.00 0.71 0.00 0.00 52.55 55.16 1d0i s ASP 31 Cb 0.05 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.45 1d0i s ASP 31 CO 0.07 -0.57 0.71 0.42 0.21 0.00 0.00 175.17 176.01 1d0i s THR 32 N -2.10 3.15 0.34 -1.27 -4.23 -1.26 -2.83 115.64 107.44 1d0i s THR 32 Ca 0.64 -0.67 0.02 0.00 -1.18 0.00 0.00 61.69 60.51 1d0i s THR 32 Cb -0.12 -3.16 0.27 0.00 1.34 0.00 0.00 72.50 70.83 1d0i s THR 32 CO 0.17 -0.10 1.99 0.25 -0.54 0.00 0.00 174.62 176.38 1d0i h LEU 33 N 0.26 0.78 -0.76 4.79 5.85 -1.82 -0.46 115.31 123.96 1d0i h LEU 33 Ca -0.43 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1d0i h LEU 33 Cb 1.28 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1d0i h LEU 33 CO 0.53 0.55 0.48 0.00 -0.34 0.00 0.00 178.44 179.66 1d0i h ALA 34 N 1.57 0.96 -0.96 1.25 0.00 -1.94 -1.34 119.26 118.81 1d0i h ALA 34 Ca 0.26 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1d0i h ALA 34 Cb -0.05 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.39 1d0i h ALA 34 CO -0.06 0.40 0.64 -0.44 0.00 0.00 0.00 179.25 179.79 1d0i h ASP 35 N 1.03 1.11 -0.37 0.00 3.32 -1.50 -1.23 116.42 118.78 1d0i h ASP 35 Ca 0.27 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1d0i h ASP 35 Cb -0.08 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.18 1d0i h ASP 35 CO -0.06 0.80 0.22 0.58 -1.72 0.00 0.00 179.24 179.06 1d0i h VAL 36 N 1.31 1.13 -0.91 -1.35 2.07 -0.96 -1.33 116.25 116.20 1d0i h VAL 36 Ca 0.35 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1d0i h VAL 36 Cb -0.15 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 1d0i h VAL 36 CO -0.08 0.13 0.60 -0.08 0.02 0.00 0.00 177.57 178.16 1d0i h GLU 37 N 0.47 1.19 -0.51 1.57 4.81 -0.92 -1.07 114.58 120.12 1d0i h GLU 37 Ca 0.13 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1d0i h GLU 37 Cb 0.02 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.11 1d0i h GLU 37 CO -0.02 0.79 0.26 0.00 -0.73 0.00 0.00 179.01 179.30 1d0i h ALA 38 N 1.34 0.66 -0.76 2.92 0.00 -0.83 0.18 119.26 122.76 1d0i h ALA 38 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1d0i h ALA 38 Cb -0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1d0i h ALA 38 CO -0.08 0.20 0.49 -0.07 0.00 0.00 0.00 179.25 179.80 1d0i h LEU 39 N 0.68 0.88 -0.16 0.00 3.38 -0.77 -1.70 115.31 117.62 1d0i h LEU 39 Ca 0.18 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1d0i h LEU 39 Cb 0.09 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1d0i h LEU 39 CO -0.02 0.65 -0.28 0.00 0.09 0.00 0.00 178.44 178.88 1d0i h VAL 41 N 0.11 0.81 -0.54 0.00 2.07 -0.48 -0.13 116.25 118.09 1d0i h VAL 41 Ca 0.01 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1d0i h VAL 41 Cb 0.87 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1d0i h VAL 41 CO 0.06 0.07 0.17 0.50 0.02 0.00 0.00 177.57 178.39 1d0i h LYS 42 N 0.37 0.83 -0.57 1.57 3.64 -1.27 0.93 116.57 122.08 1d0i h LYS 42 Ca 0.26 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 1d0i h LYS 42 Cb 0.28 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1d0i h LYS 42 CO -0.26 0.76 -0.02 0.00 -2.27 0.00 0.00 179.45 177.66 1d0i h ALA 43 N 1.03 0.77 -0.42 5.00 0.00 -1.22 -2.33 119.26 122.10 1d0i h ALA 43 Ca 0.17 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1d0i h ALA 43 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1d0i h ALA 43 CO -0.01 0.61 0.08 0.00 0.00 0.00 0.00 179.25 179.93 1d0i h ALA 44 N 0.96 0.55 -0.69 0.00 0.00 -0.79 -3.03 119.26 116.26 1d0i h ALA 44 Ca 0.16 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1d0i h ALA 44 Cb 0.57 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1d0i h ALA 44 CO 0.03 0.26 0.46 0.00 0.00 0.00 0.00 179.25 180.00 1d0i h ALA 45 N 0.94 1.81 0.00 0.00 0.00 -0.58 0.10 119.26 121.53 1d0i h ALA 45 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1d0i h ALA 45 Cb 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1d0i h ALA 45 CO 0.01 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1d0i n ALA 46 N -2.47 1.22 -0.25 0.00 0.00 -0.90 -1.73 120.51 116.38 1d0i n ALA 46 Ca 0.11 0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.63 1d0i n ALA 46 Cb 0.29 -1.18 0.04 0.00 0.00 0.00 0.00 19.45 18.59 1d0i n ALA 46 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1d0i n HIS 47 N -1.80 0.02 -2.18 0.00 8.25 -0.65 -4.98 115.22 113.88 1d0i n HIS 47 Ca 0.01 -0.62 -0.07 0.00 -0.26 0.00 0.00 57.72 56.78 1d0i n HIS 47 Cb 0.07 -0.07 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.69 0.12 1.57 -1.41 0.00 -0.71 -4.80 105.19 99.27 1d0i n GLY 48 Ca 0.04 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.01 3.69 3.22 -0.02 0.00 -0.07 -3.97 105.19 107.03 1d0i n GLY 49 Ca -0.07 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.29 0.06 0.10 2.61 -4.23 -1.26 -3.00 115.64 107.63 1d0i s THR 50 Ca 0.10 -1.84 0.06 0.00 -1.18 0.00 0.00 61.69 58.83 1d0i s THR 50 Cb 0.01 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.63 1d0i s THR 50 CO 0.07 -0.26 -0.16 0.68 -0.54 0.00 0.00 174.62 174.41 1d0i s VAL 51 N -4.07 1.38 -0.34 2.29 -7.23 -1.26 -0.73 120.40 110.43 1d0i s VAL 51 Ca 0.28 -1.52 0.03 0.00 -1.81 0.00 0.00 61.98 58.96 1d0i s VAL 51 Cb 0.06 -1.37 0.10 0.00 0.56 0.00 0.00 36.38 35.73 1d0i s VAL 51 CO 0.05 -0.23 0.07 -0.62 -0.31 0.00 0.00 175.10 174.06 1d0i s ASP 52 N -2.03 4.59 -0.27 4.85 -1.08 -0.26 -4.87 116.67 117.61 1d0i s ASP 52 Ca 0.04 -2.09 -0.09 0.00 -0.52 0.00 0.00 52.55 49.89 1d0i s ASP 52 Cb -0.08 -1.47 -0.03 0.00 -1.46 0.00 0.00 42.92 39.88 1d0i s ASP 52 CO 0.03 -0.38 0.11 0.12 0.52 0.00 0.00 175.17 175.58 1d0i s PHE 53 N 0.99 3.14 0.12 -5.34 2.19 -1.26 -1.18 117.98 116.63 1d0i s PHE 53 Ca 0.11 -0.36 0.05 0.00 0.33 0.00 0.00 56.93 57.06 1d0i s PHE 53 Cb -0.19 -2.30 -0.04 0.00 -1.31 0.00 0.00 43.02 39.19 1d0i s PHE 53 CO -0.11 -0.35 -0.12 1.03 1.83 0.00 0.00 175.22 177.50 1d0i s ARG 54 N 1.64 0.97 -0.04 10.12 0.52 0.32 -4.98 118.95 127.50 1d0i s ARG 54 Ca 0.06 -1.25 -0.02 0.00 -0.52 0.00 0.00 55.73 53.99 1d0i s ARG 54 Cb -0.16 -0.72 0.02 0.00 0.52 0.00 0.00 34.95 34.60 1d0i s ARG 54 CO 0.06 0.12 0.09 -1.14 0.02 0.00 0.00 175.30 174.45 1d0i s GLN 55 N -2.92 0.08 -0.00 3.54 -0.44 -1.26 -1.09 119.66 117.57 1d0i s GLN 55 Ca 0.09 0.17 -0.14 0.00 -2.50 0.00 0.00 55.36 52.98 1d0i s GLN 55 Cb -0.03 -0.03 0.02 0.00 -1.64 0.00 0.00 33.01 31.33 1d0i s GLN 55 CO 0.02 -0.06 0.28 0.45 0.50 0.00 0.00 175.29 176.48 1d0i s SER 56 N 0.36 -0.15 0.00 6.67 0.15 -0.65 -4.98 113.70 115.11 1d0i s SER 56 Ca -0.03 -0.00 0.26 0.00 0.70 0.00 0.00 55.95 56.88 1d0i s SER 56 Cb -0.04 0.30 0.70 0.00 -1.71 0.00 0.00 66.02 65.27 1d0i s SER 56 CO -0.01 -0.46 1.53 0.59 1.20 0.00 0.00 173.24 176.09 1d0i n ASN 57 N 1.19 1.08 -4.49 5.45 3.02 -1.26 -2.59 115.26 117.66 1d0i n ASN 57 Ca -0.21 -0.92 -0.37 0.00 -0.03 0.00 0.00 54.58 53.05 1d0i n ASN 57 Cb 0.56 0.16 -0.12 0.00 -0.61 0.00 0.00 39.78 39.78 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 -2.51 3.13 0.21 3.10 3.76 -1.26 -4.72 115.29 117.00 1d0i s HIS 58 Ca 0.24 -0.26 -0.09 0.00 -0.15 0.00 0.00 55.06 54.79 1d0i s HIS 58 Cb 0.19 -2.27 0.25 0.00 1.11 0.00 0.00 32.58 31.86 1d0i s HIS 58 CO 0.53 -0.29 1.83 1.49 -0.85 0.00 0.00 174.74 177.45 1d0i h GLU 59 N 8.20 0.76 0.00 1.40 4.81 -2.00 -0.71 114.58 127.04 1d0i h GLU 59 Ca -0.37 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.77 1d0i h GLU 59 Cb 1.18 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1d0i h GLU 59 CO 0.58 0.50 -0.20 0.78 -0.73 0.00 0.00 179.01 179.94 1d0i h GLY 60 N 0.78 0.00 1.62 1.92 0.00 -1.99 -1.90 103.07 103.50 1d0i h GLY 60 Ca 0.31 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.36 1d0i h GLY 60 CO -0.16 0.00 -1.24 -2.09 0.00 0.00 0.00 176.54 173.04 1d0i h GLU 61 N 0.00 0.28 -0.49 4.80 4.81 -1.61 -1.20 114.58 121.17 1d0i h GLU 61 Ca -0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1d0i h GLU 61 Cb 0.36 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1d0i h GLU 61 CO 0.03 1.23 0.32 -0.07 -0.73 0.00 0.00 179.01 179.79 1d0i h LEU 62 N 0.08 0.57 -0.07 1.64 3.38 -0.79 -0.52 115.31 119.59 1d0i h LEU 62 Ca -0.14 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1d0i h LEU 62 Cb 1.97 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 1d0i h LEU 62 CO 0.21 0.42 -0.00 0.58 0.09 0.00 0.00 178.44 179.73 1d0i h VAL 63 N 0.67 0.95 -0.90 1.22 2.07 -1.32 -0.63 116.25 118.31 1d0i h VAL 63 Ca 0.18 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.79 1d0i h VAL 63 Cb -0.07 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 1d0i h VAL 63 CO -0.04 0.00 0.55 0.44 0.02 0.00 0.00 177.57 178.54 1d0i h ASP 64 N 0.03 0.81 0.08 0.57 3.32 -0.63 -1.46 116.42 119.14 1d0i h ASP 64 Ca 0.03 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1d0i h ASP 64 Cb 0.04 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1d0i h ASP 64 CO -0.06 0.47 -0.39 -0.50 -1.72 0.00 0.00 179.24 177.04 1d0i h TRP 65 N 0.92 0.48 -0.37 4.55 6.55 -0.74 -1.58 115.95 125.75 1d0i h TRP 65 Ca 0.43 -0.13 -0.13 0.00 0.95 0.00 0.00 58.89 60.01 1d0i h TRP 65 Cb 0.35 -0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 28.53 1d0i h TRP 65 CO -0.03 0.74 -0.28 0.82 -1.05 0.00 0.00 178.44 178.64 1d0i h ILE 66 N 0.34 1.28 -0.71 1.49 2.04 -0.37 -0.91 117.51 120.67 1d0i h ILE 66 Ca 0.03 -1.42 -0.06 0.00 1.00 0.00 0.00 64.86 64.41 1d0i h ILE 66 Cb 0.84 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 1d0i h ILE 66 CO 0.07 0.47 0.20 0.45 0.00 0.00 0.00 178.15 179.34 1d0i h HIS 67 N 0.67 1.17 -0.67 1.37 3.86 -0.86 -2.43 115.15 118.26 1d0i h HIS 67 Ca 0.08 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1d0i h HIS 67 Cb 0.81 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 1d0i h HIS 67 CO 0.04 0.94 0.35 1.49 0.86 0.00 0.00 177.93 181.61 1d0i h GLU 68 N 1.06 0.94 -0.63 2.45 4.81 -0.99 -3.07 114.58 119.14 1d0i h GLU 68 Ca 0.23 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1d0i h GLU 68 Cb 0.34 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1d0i h GLU 68 CO -0.00 0.72 0.27 0.00 -0.73 0.00 0.00 179.01 179.26 1d0i h ALA 69 N 1.17 1.29 -0.95 2.92 0.00 -0.70 -0.66 119.26 122.33 1d0i h ALA 69 Ca 0.23 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.16 1d0i h ALA 69 Cb 0.06 -0.25 -0.10 0.00 0.00 0.00 0.00 17.79 17.50 1d0i h ALA 69 CO -0.04 0.53 0.55 0.00 0.00 0.00 0.00 179.25 180.30 1d0i h ARG 70 N 0.90 0.72 0.02 0.00 3.08 -1.37 -1.21 114.38 116.51 1d0i h ARG 70 Ca 0.21 -0.04 -0.29 0.00 0.07 0.00 0.00 59.98 59.93 1d0i h ARG 70 Cb 0.15 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1d0i h ARG 70 CO -0.02 0.48 -1.63 -0.07 -1.07 0.00 0.00 179.97 177.66 1d0i h LEU 71 N 0.74 0.06 -0.95 3.04 3.38 -1.50 -3.42 115.31 116.67 1d0i h LEU 71 Ca 0.52 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1d0i h LEU 71 Cb 0.75 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1d0i h LEU 71 CO -0.36 1.11 -0.05 0.59 0.09 0.00 0.00 178.44 179.82 1d0i n ASN 72 N -3.15 1.19 -4.18 -0.43 3.02 -0.31 -5.06 115.26 106.34 1d0i n ASN 72 Ca -0.16 -1.10 -0.16 0.00 -0.03 0.00 0.00 54.58 53.13 1d0i n ASN 72 Cb 1.04 0.22 -0.11 0.00 -0.61 0.00 0.00 39.78 40.31 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 -0.68 1.14 -1.05 3.10 3.76 -0.48 -4.34 115.29 116.73 1d0i s HIS 73 Ca 0.05 -0.56 0.26 0.00 -0.15 0.00 0.00 55.06 54.66 1d0i s HIS 73 Cb 0.04 -0.62 0.71 0.00 1.11 0.00 0.00 32.58 33.82 1d0i s HIS 73 CO 0.10 0.04 1.55 0.00 -0.85 0.00 0.00 174.74 175.58 1d0i n GLY 75 N 1.49 0.89 3.08 0.00 0.00 -1.26 -4.46 105.19 104.93 1d0i n GLY 75 Ca 0.06 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 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 1.45 -0.24 -0.61 1.01 -0.45 -1.14 121.20 119.23 1d0i s ILE 76 Ca 0.00 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.93 1d0i s ILE 76 Cb 0.00 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 1d0i s ILE 76 CO 0.00 0.43 0.05 -0.69 0.00 0.00 0.00 174.94 174.72 1d0i s VAL 77 N 0.61 4.14 -0.10 2.92 1.01 -0.11 -0.92 120.40 127.95 1d0i s VAL 77 Ca -0.15 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1d0i s VAL 77 Cb -0.16 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1d0i s VAL 77 CO 0.05 0.37 -0.13 -0.51 0.00 0.00 0.00 175.10 174.88 1d0i s ILE 78 N 1.49 1.31 -0.49 2.22 2.07 0.63 -0.19 121.20 128.25 1d0i s ILE 78 Ca 0.06 -0.52 -0.10 0.00 -1.41 0.00 0.00 60.65 58.68 1d0i s ILE 78 Cb -0.15 -1.23 0.12 0.00 0.13 0.00 0.00 42.46 41.34 1d0i s ILE 78 CO 0.02 0.41 0.37 0.21 -1.91 0.00 0.00 174.94 174.04 1d0i s ASN 79 N 1.16 5.77 0.12 4.50 3.84 0.18 -0.88 114.94 129.63 1d0i s ASN 79 Ca -0.04 -1.92 0.23 0.00 0.21 0.00 0.00 52.86 51.34 1d0i s ASN 79 Cb -0.14 -2.04 0.91 0.00 -0.55 0.00 0.00 41.25 39.43 1d0i s ASN 79 CO -0.03 -0.71 1.71 -2.65 -2.79 0.00 0.00 177.10 172.63 1d0i n PRO 80 N 4.93 0.12 0.00 0.43 -0.02 -1.26 -0.23 135.00 138.97 1d0i n PRO 80 Ca -0.08 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1d0i n PRO 80 Cb 0.41 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 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 -1.65 0.00 0.19 3.55 0.00 -1.26 -1.44 120.51 119.91 1d0i n ALA 81 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.63 1d0i n ALA 81 Cb 0.29 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.50 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 -0.70 1.95 0.00 0.00 0.00 -1.94 -1.83 119.26 116.74 1d0i h ALA 82 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1d0i h ALA 82 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1d0i h ALA 82 CO 0.00 -0.25 0.00 1.88 0.00 0.00 0.00 179.25 180.88 1d0i h TYR 83 N 0.00 0.00 -0.75 0.00 0.05 -1.63 -2.40 116.97 112.23 1d0i h TYR 83 Ca 0.08 0.00 0.16 0.00 0.05 0.00 0.00 58.73 59.02 1d0i h TYR 83 Cb 0.40 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.03 1d0i h TYR 83 CO 0.00 0.00 0.22 0.77 -1.05 0.00 0.00 178.16 178.10 1d0i h SER 84 N 0.00 0.10 0.93 3.88 0.02 -1.37 -0.39 113.55 116.72 1d0i h SER 84 Ca 0.00 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1d0i h SER 84 Cb 0.35 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1d0i h SER 84 CO 0.00 0.00 -0.35 1.41 -1.14 0.00 0.00 176.83 176.75 1d0i n HIS 85 N -5.11 0.39 0.00 3.45 8.25 -0.91 -0.95 115.22 120.34 1d0i n HIS 85 Ca 0.14 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1d0i n HIS 85 Cb 0.46 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 30.98 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 -1.88 0.00 -3.39 1.59 -2.24 -1.04 -4.83 114.28 102.50 1d0i n THR 86 Ca 0.05 -0.07 -0.44 0.00 -2.27 0.00 0.00 64.05 61.32 1d0i n THR 86 Cb 0.39 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.31 6.05 0.28 3.42 0.15 -0.18 -4.83 113.70 117.29 1d0i s SER 87 Ca 0.00 -1.73 0.04 0.00 0.70 0.00 0.00 55.95 54.96 1d0i s SER 87 Cb 0.00 -2.15 0.42 0.00 -1.71 0.00 0.00 66.02 62.58 1d0i s SER 87 CO 0.00 -0.78 1.70 0.58 1.20 0.00 0.00 173.24 175.94 1d0i h VAL 88 N 5.93 1.29 -0.46 4.45 2.07 -1.94 -3.01 116.25 124.57 1d0i h VAL 88 Ca -0.28 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 65.81 1d0i h VAL 88 Cb 1.09 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 1d0i h VAL 88 CO 0.96 0.43 0.14 0.00 0.02 0.00 0.00 177.57 179.13 1d0i h ALA 89 N 1.33 1.38 0.01 1.67 0.00 -1.98 -0.84 119.26 120.83 1d0i h ALA 89 Ca 0.04 -0.16 -0.27 0.00 0.00 0.00 0.00 54.91 54.52 1d0i h ALA 89 Cb 0.76 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1d0i h ALA 89 CO 0.06 0.45 -1.06 0.82 0.00 0.00 0.00 179.25 179.52 1d0i h ILE 90 N 0.67 1.28 -0.04 0.00 2.04 -1.90 -1.24 117.51 118.32 1d0i h ILE 90 Ca 0.16 -2.27 0.03 0.00 1.00 0.00 0.00 64.86 63.77 1d0i h ILE 90 Cb 0.20 2.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 1d0i h ILE 90 CO -0.01 0.70 -0.19 0.25 0.00 0.00 0.00 178.15 178.90 1d0i h LEU 91 N 0.38 -0.57 -0.73 1.44 5.85 -1.35 -1.56 115.31 118.76 1d0i h LEU 91 Ca -0.13 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.71 1d0i h LEU 91 Cb 1.71 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.94 1d0i h LEU 91 CO 0.21 -0.25 0.45 0.44 -0.34 0.00 0.00 178.44 178.95 1d0i h ASP 92 N -0.29 0.73 -0.66 1.25 5.19 -1.09 -0.36 116.42 121.20 1d0i h ASP 92 Ca 0.07 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.45 1d0i h ASP 92 Cb 0.39 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.72 1d0i h ASP 92 CO -0.21 0.50 0.26 0.00 -3.12 0.00 0.00 179.24 176.66 1d0i h ALA 93 N 1.33 0.85 -0.23 3.45 0.00 -0.93 -2.39 119.26 121.34 1d0i h ALA 93 Ca 0.30 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1d0i h ALA 93 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1d0i h ALA 93 CO -0.13 0.48 -0.15 -0.07 0.00 0.00 0.00 179.25 179.38 1d0i h LEU 94 N 0.93 0.37 -1.03 0.00 3.38 -0.44 -2.08 115.31 116.44 1d0i h LEU 94 Ca 0.22 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1d0i h LEU 94 Cb 0.22 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1d0i h LEU 94 CO -0.02 0.56 0.00 0.78 0.09 0.00 0.00 178.44 179.85 1d0i h ASN 95 N 0.36 0.00 0.56 -0.43 2.35 -0.77 -3.16 115.58 114.49 1d0i h ASN 95 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1d0i h ASN 95 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 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 -2.65 0.93 -3.67 2.81 -2.24 -0.78 -4.17 114.28 104.50 1d0i n THR 96 Ca 0.02 0.23 -0.30 0.00 -2.27 0.00 0.00 64.05 61.73 1d0i n THR 96 Cb 0.28 -1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 67.37 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 7.34 0.16 1.59 0.00 3.32 -1.80 -2.97 116.42 124.05 1d0i h ASP 98 Ca -0.05 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1d0i h ASP 98 Cb 0.97 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1d0i h ASP 98 CO 0.44 0.10 -0.16 1.23 -1.72 0.00 0.00 179.24 179.13 1d0i h GLY 99 N 0.35 0.00 -5.12 2.75 0.00 -1.95 -3.46 103.07 95.64 1d0i h GLY 99 Ca 0.28 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 47.06 1d0i h GLY 99 CO -0.30 0.00 0.98 -2.27 0.00 0.00 0.00 176.54 174.95 1d0i s LEU 100 N -5.28 4.29 0.24 3.11 2.96 -1.12 -4.94 118.68 117.94 1d0i s LEU 100 Ca 0.08 2.11 -0.31 0.00 -0.22 0.00 0.00 54.13 55.78 1d0i s LEU 100 Cb 0.09 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 43.12 1d0i s LEU 100 CO 0.66 -0.84 1.64 -2.65 -1.32 0.00 0.00 176.35 173.85 1d0i n PRO 101 N 6.48 2.66 -4.17 0.98 -0.02 -1.26 -4.92 135.00 134.74 1d0i n PRO 101 Ca 0.15 0.95 -0.20 0.00 -2.02 0.00 0.00 63.50 62.39 1d0i n PRO 101 Cb 0.43 -2.76 -0.16 0.00 -0.02 0.00 0.00 33.50 30.99 1d0i n PRO 101 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1d0i s VAL 102 N 0.59 0.55 -0.09 -1.45 1.01 -1.26 -1.34 120.40 118.41 1d0i s VAL 102 Ca 0.70 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.57 1d0i s VAL 102 Cb -0.52 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.30 1d0i s VAL 102 CO 0.40 0.23 -0.13 -0.69 0.00 0.00 0.00 175.10 174.91 1d0i s VAL 103 N 0.92 1.31 -0.14 2.92 1.01 -0.10 0.04 120.40 126.37 1d0i s VAL 103 Ca -0.11 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 1d0i s VAL 103 Cb -0.14 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 1d0i s VAL 103 CO 0.00 0.40 0.30 -0.70 0.00 0.00 0.00 175.10 175.10 1d0i s GLU 104 N 0.98 4.14 -0.04 2.72 2.12 -0.48 -0.27 118.70 127.87 1d0i s GLU 104 Ca -0.08 0.12 0.05 0.00 0.36 0.00 0.00 54.97 55.42 1d0i s GLU 104 Cb -0.15 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 1d0i s GLU 104 CO -0.01 0.34 -0.19 0.08 -0.54 0.00 0.00 175.26 174.95 1d0i s VAL 105 N 0.14 1.57 -0.09 3.70 1.01 -0.06 -0.09 120.40 126.58 1d0i s VAL 105 Ca 0.17 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1d0i s VAL 105 Cb -0.13 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.93 1d0i s VAL 105 CO 0.05 0.45 -0.11 -1.00 0.00 0.00 0.00 175.10 174.49 1d0i s HIS 106 N -0.06 1.53 0.07 5.22 3.76 0.14 -4.01 115.29 121.94 1d0i s HIS 106 Ca -0.03 -0.66 -0.19 0.00 -0.15 0.00 0.00 55.06 54.04 1d0i s HIS 106 Cb -0.12 -1.17 -0.11 0.00 1.11 0.00 0.00 32.58 32.30 1d0i s HIS 106 CO 0.02 -0.38 1.44 0.82 -0.85 0.00 0.00 174.74 175.78 1d0i h ILE 107 N 6.04 1.30 -4.31 0.60 2.04 -1.87 -2.06 117.51 119.25 1d0i h ILE 107 Ca -0.31 -1.13 -0.49 0.00 1.00 0.00 0.00 64.86 63.93 1d0i h ILE 107 Cb 1.17 1.60 0.07 0.00 -0.74 0.00 0.00 36.82 38.92 1d0i h ILE 107 CO 0.46 0.35 0.37 -0.94 0.00 0.00 0.00 178.15 178.38 1d0i s SER 108 N -6.08 5.50 -0.76 1.72 1.04 -1.26 -2.55 113.70 111.30 1d0i s SER 108 Ca -0.14 1.05 -0.21 0.00 0.48 0.00 0.00 55.95 57.13 1d0i s SER 108 Cb 0.07 -1.90 0.09 0.00 0.10 0.00 0.00 66.02 64.37 1d0i s SER 108 CO 0.76 -1.27 1.04 0.21 0.98 0.00 0.00 173.24 174.96 1d0i s ASN 109 N -4.34 6.33 0.56 7.02 3.84 -1.26 -1.87 114.94 125.21 1d0i s ASN 109 Ca 0.57 -1.34 0.25 0.00 0.21 0.00 0.00 52.86 52.55 1d0i s ASN 109 Cb -0.11 -2.42 1.59 0.00 -0.55 0.00 0.00 41.25 39.76 1d0i s ASN 109 CO 0.50 -1.33 2.18 0.16 -2.79 0.00 0.00 177.10 175.82 1d0i h ILE 110 N 5.98 0.68 0.00 -5.21 3.07 -1.92 -1.23 117.51 118.86 1d0i h ILE 110 Ca -0.13 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.28 1d0i h ILE 110 Cb 1.05 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 1d0i h ILE 110 CO 1.17 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.68 1d0i n HIS 111 N -4.09 0.00 0.81 0.16 8.25 -1.26 -2.25 115.22 116.84 1d0i n HIS 111 Ca -0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.54 1d0i n HIS 111 Cb 0.17 -0.25 0.02 0.00 1.12 0.00 0.00 29.99 31.05 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 -1.25 1.58 0.00 -0.41 6.02 -0.47 -5.00 117.38 117.86 1d0i n GLN 112 Ca 0.06 -1.13 0.00 0.00 -0.01 0.00 0.00 57.00 55.92 1d0i n GLN 112 Cb 0.09 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.00 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 0.30 3.58 -1.39 -1.09 1.74 -0.95 -5.07 116.66 113.77 1d0i n ARG 113 Ca 0.09 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.84 1d0i n ARG 113 Cb 0.42 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.95 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 3.25 2.16 0.49 5.56 8.01 -1.26 -4.89 118.70 132.03 1d0i s GLU 114 Ca 0.00 1.56 0.15 0.00 0.01 0.00 0.00 54.97 56.69 1d0i s GLU 114 Cb 0.00 -1.86 1.17 0.00 -4.31 0.00 0.00 34.13 29.13 1d0i s GLU 114 CO 0.00 -1.78 2.10 -1.35 0.01 0.00 0.00 175.26 174.24 1d0i h PRO 115 N -0.54 0.16 0.00 0.39 0.11 -1.97 0.13 132.00 130.27 1d0i h PRO 115 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1d0i h PRO 115 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1d0i h PRO 115 CO 0.50 0.10 0.00 0.27 -0.21 0.00 0.00 178.00 178.66 1d0i h PHE 116 N 0.16 0.00 -0.00 0.65 -5.15 -1.97 -2.09 116.94 108.53 1d0i h PHE 116 Ca 0.08 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.85 1d0i h PHE 116 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.30 1d0i h PHE 116 CO -0.00 0.00 -0.29 0.54 -2.00 0.00 0.00 178.31 176.56 1d0i n ARG 117 N -3.01 0.17 0.20 6.09 1.74 0.44 -4.10 116.66 118.19 1d0i n ARG 117 Ca 0.00 -0.08 0.05 0.00 -0.77 0.00 0.00 57.85 57.05 1d0i n ARG 117 Cb 0.28 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 30.63 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 0.19 0.00 -2.95 -1.55 3.86 -1.40 -3.44 115.15 109.85 1d0i h HIS 118 Ca 0.00 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 1d0i h HIS 118 Cb 0.48 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.86 1d0i h HIS 118 CO 0.00 0.33 -0.44 -1.58 0.86 0.00 0.00 177.93 177.11 1d0i s HIS 119 N -4.09 3.54 -0.11 2.45 5.65 -1.26 -4.88 115.29 116.58 1d0i s HIS 119 Ca -0.02 0.52 0.02 0.00 0.25 0.00 0.00 55.06 55.83 1d0i s HIS 119 Cb 0.14 -2.09 0.01 0.00 -1.18 0.00 0.00 32.58 29.46 1d0i s HIS 119 CO 0.70 0.53 -0.16 0.45 -0.65 0.00 0.00 174.74 175.60 1d0i s SER 120 N -0.41 2.56 0.25 9.88 0.15 -1.26 -4.11 113.70 120.76 1d0i s SER 120 Ca 0.14 -0.46 -0.05 0.00 0.70 0.00 0.00 55.95 56.28 1d0i s SER 120 Cb -0.12 -1.15 0.28 0.00 -1.71 0.00 0.00 66.02 63.31 1d0i s SER 120 CO 0.03 0.03 1.86 1.88 1.20 0.00 0.00 173.24 178.24 1d0i h TYR 121 N 7.40 1.14 -0.56 3.44 0.05 -1.37 -2.85 116.97 124.23 1d0i h TYR 121 Ca -0.31 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.43 1d0i h TYR 121 Cb 1.18 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 38.53 1d0i h TYR 121 CO 0.48 0.81 0.35 0.28 -1.05 0.00 0.00 178.16 179.02 1d0i h VAL 122 N 1.15 1.16 -0.12 -2.88 2.07 -1.87 -3.12 116.25 112.64 1d0i h VAL 122 Ca 0.29 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1d0i h VAL 122 Cb 0.07 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1d0i h VAL 122 CO -0.04 0.16 0.12 0.28 0.02 0.00 0.00 177.57 178.11 1d0i h SER 123 N 0.77 0.00 0.88 0.57 0.02 -1.87 -0.01 113.55 113.91 1d0i h SER 123 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1d0i h SER 123 Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1d0i h SER 123 CO -0.04 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.65 1d0i n GLN 124 N -3.91 0.06 -0.05 3.45 10.64 -1.18 -3.59 117.38 122.80 1d0i n GLN 124 Ca -0.00 0.15 -0.06 0.00 -1.83 0.00 0.00 57.00 55.26 1d0i n GLN 124 Cb 0.23 -1.58 -0.06 0.00 -0.86 0.00 0.00 30.24 27.97 1d0i n GLN 124 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1d0i n ARG 125 N -1.68 1.12 -1.69 2.61 3.00 -0.63 -5.03 116.66 114.35 1d0i n ARG 125 Ca 0.05 0.04 -0.41 0.00 -0.00 0.00 0.00 57.85 57.53 1d0i n ARG 125 Cb 0.29 -1.22 0.01 0.00 0.00 0.00 0.00 32.46 31.54 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 1.22 0.11 5.13 0.00 -0.11 -4.88 120.51 119.34 1d0i n ALA 126 Ca -0.17 0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 1d0i n ALA 126 Cb 0.73 -2.25 -0.08 0.00 0.00 0.00 0.00 19.45 17.85 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 2.14 -0.19 -4.14 0.00 3.32 -0.73 -3.45 116.42 113.36 1d0i h ASP 127 Ca -0.47 -0.11 -0.34 0.00 0.02 0.00 0.00 57.03 56.13 1d0i h ASP 127 Cb 1.29 0.05 -0.16 0.00 0.22 0.00 0.00 39.33 40.73 1d0i h ASP 127 CO 0.60 -0.00 -0.73 -0.83 -1.72 0.00 0.00 179.24 176.56 1d0i s GLY 128 N -2.44 0.98 -0.06 2.75 0.00 -1.25 -5.07 107.32 102.24 1d0i s GLY 128 Ca -0.15 -1.34 -0.01 0.00 0.00 0.00 0.00 44.72 43.22 1d0i s GLY 128 CO 0.63 -1.43 0.02 0.14 0.00 0.00 0.00 173.10 172.46 1d0i s VAL 129 N -2.80 0.22 -0.18 1.40 1.01 -1.26 -1.38 120.40 117.41 1d0i s VAL 129 Ca 0.11 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 1d0i s VAL 129 Cb -0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 1d0i s VAL 129 CO 0.01 0.22 -0.06 -0.69 0.00 0.00 0.00 175.10 174.58 1d0i s VAL 130 N 1.90 3.50 0.02 2.92 1.01 0.87 -4.97 120.40 125.66 1d0i s VAL 130 Ca 0.03 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1d0i s VAL 130 Cb -0.12 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 1d0i s VAL 130 CO -0.04 0.47 -0.08 0.00 0.00 0.00 0.00 175.10 175.45 1d0i s ALA 131 N 0.84 0.60 -1.31 5.51 0.00 -1.26 -0.68 121.76 125.45 1d0i s ALA 131 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1d0i s ALA 131 Cb -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1d0i s ALA 131 CO 0.01 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1d0i n GLY 132 N 2.18 0.88 1.57 0.00 0.00 -0.77 -4.80 105.19 104.24 1d0i n GLY 132 Ca -0.18 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 0.58 0.43 0.22 0.00 0.00 -1.06 -2.79 105.19 102.58 1d0i n GLY 134 Ca 0.25 -0.88 0.15 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.13 1.61 -1.51 -1.89 -1.47 116.25 112.86 1d0i h VAL 135 Ca 0.00 -0.44 0.04 0.00 -1.23 0.00 0.00 66.70 65.07 1d0i h VAL 135 Cb 0.00 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 1d0i h VAL 135 CO 0.00 0.00 0.10 -0.61 -1.23 0.00 0.00 177.57 175.83 1d0i h GLN 136 N 0.00 0.00 -0.81 5.19 4.15 -1.96 -1.39 115.11 120.30 1d0i h GLN 136 Ca 0.00 -0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.59 1d0i h GLN 136 Cb 0.49 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.13 1d0i h GLN 136 CO 0.00 0.00 0.54 0.78 -1.93 0.00 0.00 178.83 178.22 1d0i h GLY 137 N 0.00 0.76 1.60 2.39 0.00 -1.08 -0.32 103.07 106.42 1d0i h GLY 137 Ca 0.06 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 1d0i h GLY 137 CO -0.00 0.04 -0.18 -0.97 0.00 0.00 0.00 176.54 175.43 1d0i h TYR 138 N 0.42 0.52 -0.58 5.60 -1.99 -1.45 -0.07 116.97 119.42 1d0i h TYR 138 Ca 0.40 -0.09 -0.11 0.00 2.00 0.00 0.00 58.73 60.94 1d0i h TYR 138 Cb 0.95 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.53 1d0i h TYR 138 CO -0.00 0.63 -0.05 0.28 -0.00 0.00 0.00 178.16 179.02 1d0i h VAL 139 N 0.43 1.27 -0.58 -2.88 2.07 -1.21 -0.60 116.25 114.75 1d0i h VAL 139 Ca 0.07 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 1d0i h VAL 139 Cb 0.56 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1d0i h VAL 139 CO 0.04 0.44 0.25 -0.26 0.02 0.00 0.00 177.57 178.05 1d0i h PHE 140 N 0.94 0.87 -0.18 1.57 0.04 -1.05 -0.43 116.94 118.70 1d0i h PHE 140 Ca 0.16 -0.06 0.03 0.00 2.80 0.00 0.00 57.97 60.90 1d0i h PHE 140 Cb 0.62 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 1d0i h PHE 140 CO 0.04 0.69 -0.01 0.78 -0.60 0.00 0.00 178.31 179.21 1d0i h GLY 141 N 0.80 0.17 0.51 -1.45 0.00 -0.46 0.14 103.07 102.78 1d0i h GLY 141 Ca 0.20 0.03 0.09 0.00 0.00 0.00 0.00 47.33 47.64 1d0i h GLY 141 CO -0.02 -0.04 0.37 -2.08 0.00 0.00 0.00 176.54 174.76 1d0i h VAL 142 N 0.05 0.87 -0.50 4.60 2.07 -0.86 0.12 116.25 122.59 1d0i h VAL 142 Ca 0.09 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1d0i h VAL 142 Cb 0.11 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1d0i h VAL 142 CO -0.16 0.11 0.16 -0.33 0.02 0.00 0.00 177.57 177.38 1d0i h GLU 143 N 0.63 0.75 -0.08 1.57 5.08 -0.62 0.17 114.58 122.08 1d0i h GLU 143 Ca 0.35 -0.13 -0.22 0.00 -1.00 0.00 0.00 59.36 58.36 1d0i h GLU 143 Cb 0.34 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1d0i h GLU 143 CO -0.25 0.65 -0.84 -0.09 -1.00 0.00 0.00 179.01 177.48 1d0i h ARG 144 N 0.73 0.59 -0.30 2.33 9.65 -0.52 -1.80 114.38 125.06 1d0i h ARG 144 Ca 0.17 -0.53 0.00 0.00 -1.10 0.00 0.00 59.98 58.52 1d0i h ARG 144 Cb 0.21 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1d0i h ARG 144 CO -0.01 1.15 0.19 0.82 2.80 0.00 0.00 179.97 184.92 1d0i h ILE 145 N 0.38 1.09 -0.54 1.20 1.08 -0.57 -0.16 117.51 119.99 1d0i h ILE 145 Ca -0.06 -0.20 0.09 0.00 -0.39 0.00 0.00 64.86 64.29 1d0i h ILE 145 Cb 1.46 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 35.83 1d0i h ILE 145 CO 0.16 0.09 0.16 0.00 -0.69 0.00 0.00 178.15 177.87 1d0i h ALA 146 N 1.08 0.65 -0.42 1.87 0.00 -0.54 0.20 119.26 122.11 1d0i h ALA 146 Ca 0.11 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1d0i h ALA 146 Cb -0.01 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1d0i h ALA 146 CO -0.02 -0.25 0.25 0.00 0.00 0.00 0.00 179.25 179.23 1d0i h ALA 147 N 1.39 0.53 -0.14 0.00 0.00 -1.00 -0.60 119.26 119.44 1d0i h ALA 147 Ca 0.27 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 1d0i h ALA 147 Cb 0.34 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1d0i h ALA 147 CO -0.30 -0.06 -0.59 -0.07 0.00 0.00 0.00 179.25 178.22 1d0i h LEU 148 N 0.51 0.75 -0.84 0.00 3.38 -0.44 -3.25 115.31 115.42 1d0i h LEU 148 Ca 0.16 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 1d0i h LEU 148 Cb -0.01 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1d0i h LEU 148 CO -0.06 1.25 -0.02 0.00 0.09 0.00 0.00 178.44 179.70 1d0i h ALA 149 N 0.52 0.99 0.00 1.53 0.00 -0.63 -3.49 119.26 118.18 1d0i h ALA 149 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1d0i h ALA 149 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1d0i h ALA 149 CO 0.12 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.81