#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 1.82 0.42 0.54 0.52 -1.26 -5.14 118.95 115.85 1d0i s ARG 2 Ca 0.00 -1.13 0.07 0.00 -0.52 0.00 0.00 55.73 54.15 1d0i s ARG 2 Cb 0.00 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.39 1d0i s ARG 2 CO 0.00 0.50 0.58 -1.54 0.02 0.00 0.00 175.30 174.86 1d0i s SER 3 N -1.79 5.67 0.48 0.23 1.04 -1.26 -4.72 113.70 113.35 1d0i s SER 3 Ca 0.15 -0.32 0.20 0.00 0.48 0.00 0.00 55.95 56.46 1d0i s SER 3 Cb -0.10 -0.79 1.19 0.00 0.10 0.00 0.00 66.02 66.42 1d0i s SER 3 CO 0.07 -0.75 2.03 -0.07 0.98 0.00 0.00 173.24 175.49 1d0i h LEU 4 N 0.61 0.00 -0.35 2.42 4.07 -1.88 -2.24 115.31 117.94 1d0i h LEU 4 Ca -0.41 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.37 1d0i h LEU 4 Cb 1.28 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.99 1d0i h LEU 4 CO 0.47 0.16 -0.83 0.00 -1.08 0.00 0.00 178.44 177.17 1d0i h ALA 5 N 1.84 0.64 -0.01 1.53 0.00 -1.86 -3.36 119.26 118.04 1d0i h ALA 5 Ca -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1d0i h ALA 5 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1d0i h ALA 5 CO 0.02 1.02 -0.77 0.09 0.00 0.00 0.00 179.25 179.62 1d0i n ASN 6 N -3.56 1.35 -3.52 0.00 3.02 -0.94 -5.00 115.26 106.61 1d0i n ASN 6 Ca -0.01 -1.15 -0.14 0.00 -0.03 0.00 0.00 54.58 53.25 1d0i n ASN 6 Cb 0.79 0.75 -0.05 0.00 -0.61 0.00 0.00 39.78 40.67 1d0i n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1d0i s ALA 7 N -2.80 -1.79 0.67 5.41 0.00 -0.89 -4.92 121.76 117.45 1d0i s ALA 7 Ca 0.12 1.22 -0.12 0.00 0.00 0.00 0.00 51.96 53.18 1d0i s ALA 7 Cb 0.17 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1d0i s ALA 7 CO 0.75 -0.45 1.06 -1.25 0.00 0.00 0.00 175.76 175.87 1d0i s PRO 8 N -1.79 2.97 -0.05 0.00 0.04 -1.26 -4.34 135.00 130.57 1d0i s PRO 8 Ca -0.05 1.06 -0.27 0.00 0.04 0.00 0.00 61.00 61.78 1d0i s PRO 8 Cb -0.00 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1d0i s PRO 8 CO 0.02 -1.08 0.88 0.42 0.04 0.00 0.00 177.00 177.28 1d0i s ILE 9 N -2.84 4.92 -0.20 0.56 1.01 0.31 -1.16 121.20 123.79 1d0i s ILE 9 Ca 0.60 1.81 -0.28 0.00 0.00 0.00 0.00 60.65 62.79 1d0i s ILE 9 Cb -0.15 -4.21 -0.00 0.00 0.01 0.00 0.00 42.46 38.11 1d0i s ILE 9 CO 0.50 0.16 0.97 -0.32 0.00 0.00 0.00 174.94 176.25 1d0i s MET 10 N 1.18 4.29 -0.33 2.79 -2.45 -0.32 -0.87 119.30 123.59 1d0i s MET 10 Ca 0.45 1.26 -0.07 0.00 -1.25 0.00 0.00 55.69 56.08 1d0i s MET 10 Cb -0.19 -3.61 0.03 0.00 1.25 0.00 0.00 34.83 32.31 1d0i s MET 10 CO 0.22 -0.50 0.12 0.42 1.05 0.00 0.00 175.02 176.32 1d0i s ILE 11 N 2.75 4.00 -0.17 10.11 -1.09 -0.26 -0.35 121.20 136.17 1d0i s ILE 11 Ca 0.43 -0.95 -0.04 0.00 -2.23 0.00 0.00 60.65 57.86 1d0i s ILE 11 Cb -0.16 -3.20 -0.03 0.00 -1.58 0.00 0.00 42.46 37.50 1d0i s ILE 11 CO 0.10 -0.12 -0.02 -0.76 -1.23 0.00 0.00 174.94 172.90 1d0i s LEU 12 N 1.46 3.24 -0.12 2.97 1.43 0.32 -0.94 118.68 127.03 1d0i s LEU 12 Ca 0.00 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1d0i s LEU 12 Cb -0.19 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1d0i s LEU 12 CO 0.03 0.13 -0.21 0.20 0.23 0.00 0.00 176.35 176.73 1d0i s ASN 13 N 0.62 3.26 0.10 2.29 0.01 -0.04 -0.48 114.94 120.71 1d0i s ASN 13 Ca -0.02 -0.54 0.00 0.00 -0.71 0.00 0.00 52.86 51.59 1d0i s ASN 13 Cb -0.14 -1.46 0.00 0.00 0.41 0.00 0.00 41.25 40.06 1d0i s ASN 13 CO 0.02 0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.34 1d0i n GLY 14 N 3.79 -0.78 3.76 0.66 0.00 0.99 -1.05 105.19 112.57 1d0i n GLY 14 Ca -0.19 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.30 3.35 0.00 1.61 0.04 -1.15 -3.10 135.00 135.45 1d0i s PRO 15 Ca 0.00 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1d0i s PRO 15 Cb 0.00 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1d0i s PRO 15 CO 0.00 -0.95 0.00 0.09 0.04 0.00 0.00 177.00 176.18 1d0i n ASN 16 N -0.90 0.00 0.14 6.66 3.02 -1.26 -4.60 115.26 118.31 1d0i n ASN 16 Ca 0.10 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.76 1d0i n ASN 16 Cb 0.47 -0.51 0.53 0.00 -0.61 0.00 0.00 39.78 39.66 1d0i n ASN 16 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1d0i n LEU 17 N 0.00 0.62 0.28 3.41 4.77 -1.18 -1.74 117.00 123.16 1d0i n LEU 17 Ca 0.00 0.70 0.13 0.00 -0.03 0.00 0.00 56.01 56.81 1d0i n LEU 17 Cb 0.00 -0.68 0.82 0.00 -2.33 0.00 0.00 43.42 41.23 1d0i n LEU 17 CO 0.00 -0.72 1.10 -0.55 -1.33 0.00 0.00 177.39 175.88 1d0i h ASN 18 N 0.00 0.00 -0.34 -1.43 -1.07 -1.88 -1.58 115.58 109.29 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 0.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.46 1d0i h ASN 18 CO 0.00 0.01 0.00 0.18 0.07 0.00 0.00 177.43 177.69 1d0i n LEU 19 N -4.04 1.83 -4.69 6.14 4.77 -0.71 -4.73 117.00 115.56 1d0i n LEU 19 Ca -0.03 -0.91 -0.44 0.00 -0.03 0.00 0.00 56.01 54.60 1d0i n LEU 19 Cb 0.10 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 1d0i n LEU 19 CO 0.30 0.46 1.03 -0.11 -1.33 0.00 0.00 177.39 177.73 1d0i n LEU 20 N 0.50 3.48 0.00 2.23 7.94 -0.59 -1.67 117.00 128.88 1d0i n LEU 20 Ca 0.11 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.18 1d0i n LEU 20 Cb 0.29 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 42.76 1d0i n LEU 20 CO 0.08 -0.36 0.00 0.61 -1.11 0.00 0.00 177.39 176.61 1d0i n GLY 21 N 1.75 3.48 0.05 -3.96 0.00 -1.08 -4.13 105.19 101.30 1d0i n GLY 21 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.92 0.65 -4.36 1.61 6.02 -0.67 -4.74 117.38 113.96 1d0i n GLN 22 Ca 0.00 -0.06 -0.22 0.00 -0.01 0.00 0.00 57.00 56.70 1d0i n GLN 22 Cb 0.00 -1.62 -0.11 0.00 1.02 0.00 0.00 30.24 29.53 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 -3.31 1.35 -0.12 -1.09 1.04 -1.25 -4.92 118.95 110.64 1d0i s ARG 23 Ca -0.06 -1.48 -0.05 0.00 -1.04 0.00 0.00 55.73 53.10 1d0i s ARG 23 Cb 0.12 -1.42 0.01 0.00 -2.04 0.00 0.00 34.95 31.62 1d0i s ARG 23 CO 0.86 0.28 0.13 0.00 -0.04 0.00 0.00 175.30 176.54 1d0i n GLN 24 N 0.14 -0.36 0.17 3.89 10.64 -1.26 -4.54 117.38 126.05 1d0i n GLN 24 Ca -0.12 0.24 0.13 0.00 -1.83 0.00 0.00 57.00 55.43 1d0i n GLN 24 Cb 0.57 -0.41 0.41 0.00 -0.86 0.00 0.00 30.24 29.95 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 0.53 0.00 -0.29 2.61 0.13 -1.92 0.53 132.00 133.59 1d0i h PRO 25 Ca -0.12 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.91 1d0i h PRO 25 Cb 0.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 1d0i h PRO 25 CO 0.06 0.00 -0.20 0.93 -0.23 0.00 0.00 178.00 178.55 1d0i h GLU 26 N 0.00 0.65 0.00 0.86 3.07 -1.88 0.91 114.58 118.19 1d0i h GLU 26 Ca 0.00 -0.31 -0.02 0.00 -0.50 0.00 0.00 59.36 58.53 1d0i h GLU 26 Cb 0.69 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.59 1d0i h GLU 26 CO 0.00 0.91 -0.14 0.82 -1.40 0.00 0.00 179.01 179.20 1d0i h ILE 27 N 0.39 0.70 0.00 3.13 2.04 -1.87 -3.41 117.51 118.48 1d0i h ILE 27 Ca 0.06 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.36 1d0i h ILE 27 Cb 0.75 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1d0i h ILE 27 CO 0.06 0.24 -1.13 -1.22 0.00 0.00 0.00 178.15 176.09 1d0i n TYR 28 N -4.68 0.16 0.00 1.37 4.01 0.18 -4.49 117.16 113.72 1d0i n TYR 28 Ca -0.06 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1d0i n TYR 28 Cb 0.24 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 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 -0.35 0.75 2.72 0.00 0.31 -4.74 105.19 105.28 1d0i n GLY 29 Ca 0.02 -1.82 0.10 0.00 0.00 0.00 0.00 46.02 44.31 1d0i n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1d0i n SER 30 N -0.64 2.56 -4.80 1.61 7.64 -1.26 -4.12 113.62 114.61 1d0i n SER 30 Ca 0.00 -1.78 -0.34 0.00 1.01 0.00 0.00 58.87 57.76 1d0i n SER 30 Cb 0.00 0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 1d0i n SER 30 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1d0i s ASP 31 N -1.69 6.33 0.45 6.43 1.01 -1.26 -4.68 116.67 123.25 1d0i s ASP 31 Ca 0.22 1.93 0.08 0.00 0.71 0.00 0.00 52.55 55.49 1d0i s ASP 31 Cb 0.16 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.54 1d0i s ASP 31 CO 0.27 -0.79 0.50 0.42 0.21 0.00 0.00 175.17 175.77 1d0i s THR 32 N -1.98 2.60 0.42 -1.27 -4.23 -1.26 -2.64 115.64 107.28 1d0i s THR 32 Ca 0.67 -1.20 0.10 0.00 -1.18 0.00 0.00 61.69 60.08 1d0i s THR 32 Cb -0.16 -2.80 0.23 0.00 1.34 0.00 0.00 72.50 71.10 1d0i s THR 32 CO 0.20 0.00 2.03 0.25 -0.54 0.00 0.00 174.62 176.56 1d0i h LEU 33 N 0.77 0.29 -1.10 4.79 5.85 -1.81 -0.89 115.31 123.21 1d0i h LEU 33 Ca -0.39 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.25 1d0i h LEU 33 Cb 1.28 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1d0i h LEU 33 CO 0.51 0.29 0.01 0.00 -0.34 0.00 0.00 178.44 178.91 1d0i h ALA 34 N 1.76 1.26 -0.69 1.25 0.00 -1.94 0.72 119.26 121.61 1d0i h ALA 34 Ca 0.08 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1d0i h ALA 34 Cb 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1d0i h ALA 34 CO -0.01 0.50 0.23 -0.44 0.00 0.00 0.00 179.25 179.53 1d0i h ASP 35 N 0.61 1.00 -0.36 0.00 3.32 -1.57 -0.85 116.42 118.57 1d0i h ASP 35 Ca 0.13 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1d0i h ASP 35 Cb 0.37 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1d0i h ASP 35 CO 0.01 0.93 0.18 0.58 -1.72 0.00 0.00 179.24 179.22 1d0i h VAL 36 N 1.01 1.16 -0.77 -1.35 2.07 -1.07 -1.31 116.25 115.99 1d0i h VAL 36 Ca 0.23 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1d0i h VAL 36 Cb 0.28 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1d0i h VAL 36 CO -0.01 0.17 0.50 -0.08 0.02 0.00 0.00 177.57 178.17 1d0i h GLU 37 N 0.45 1.02 -0.51 1.57 4.81 -0.52 -1.43 114.58 119.97 1d0i h GLU 37 Ca 0.12 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1d0i h GLU 37 Cb 0.11 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1d0i h GLU 37 CO -0.02 0.68 0.07 0.00 -0.73 0.00 0.00 179.01 179.02 1d0i h ALA 38 N 1.51 1.18 -0.60 2.92 0.00 -0.72 -0.01 119.26 123.54 1d0i h ALA 38 Ca 0.28 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1d0i h ALA 38 Cb -0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1d0i h ALA 38 CO -0.06 0.55 0.26 -0.07 0.00 0.00 0.00 179.25 179.92 1d0i h LEU 39 N 0.76 0.81 -0.42 0.00 3.38 -0.24 -0.94 115.31 118.66 1d0i h LEU 39 Ca 0.16 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1d0i h LEU 39 Cb 0.35 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1d0i h LEU 39 CO 0.01 0.75 0.06 0.00 0.09 0.00 0.00 178.44 179.34 1d0i h VAL 41 N 0.54 1.08 -0.53 0.00 2.07 -0.57 -0.20 116.25 118.63 1d0i h VAL 41 Ca 0.13 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 1d0i h VAL 41 Cb 0.39 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1d0i h VAL 41 CO 0.01 0.12 0.12 0.50 0.02 0.00 0.00 177.57 178.34 1d0i h LYS 42 N 0.66 0.86 -0.33 1.57 3.64 -1.12 0.28 116.57 122.12 1d0i h LYS 42 Ca 0.21 -0.21 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1d0i h LYS 42 Cb -0.01 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1d0i h LYS 42 CO -0.08 0.82 -0.36 0.00 -2.27 0.00 0.00 179.45 177.55 1d0i h ALA 43 N 1.00 0.74 -0.30 5.00 0.00 -0.97 -2.34 119.26 122.39 1d0i h ALA 43 Ca 0.17 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1d0i h ALA 43 Cb 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1d0i h ALA 43 CO 0.00 0.66 -0.40 0.00 0.00 0.00 0.00 179.25 179.51 1d0i h ALA 44 N 0.96 0.74 -0.33 0.00 0.00 -0.82 -2.98 119.26 116.82 1d0i h ALA 44 Ca 0.06 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1d0i h ALA 44 Cb 0.91 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1d0i h ALA 44 CO 0.08 0.66 0.14 0.00 0.00 0.00 0.00 179.25 180.13 1d0i h ALA 45 N 0.97 1.63 0.00 0.00 0.00 -0.68 0.16 119.26 121.34 1d0i h ALA 45 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1d0i h ALA 45 Cb 0.94 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1d0i h ALA 45 CO 0.09 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1d0i h ALA 46 N 1.70 1.00 -0.36 0.00 0.00 -1.26 -1.16 119.26 119.17 1d0i h ALA 46 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1d0i h ALA 46 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1d0i h ALA 46 CO -0.01 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.96 1d0i n HIS 47 N -2.57 0.83 -2.21 0.00 8.25 -0.15 -4.94 115.22 114.43 1d0i n HIS 47 Ca -0.00 -0.67 -0.12 0.00 -0.26 0.00 0.00 57.72 56.66 1d0i n HIS 47 Cb 0.14 -0.18 -0.01 0.00 1.12 0.00 0.00 29.99 31.07 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 0.21 -0.10 3.69 -1.41 0.00 -0.44 -4.75 105.19 102.40 1d0i n GLY 48 Ca 0.18 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.03 3.52 3.36 -0.02 0.00 0.37 -4.30 105.19 107.09 1d0i n GLY 49 Ca -0.15 -2.35 -0.18 0.00 0.00 0.00 0.00 46.02 43.34 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 -2.90 1.17 0.13 2.61 -4.23 -1.26 -3.33 115.64 107.84 1d0i s THR 50 Ca 0.02 -2.05 0.05 0.00 -1.18 0.00 0.00 61.69 58.54 1d0i s THR 50 Cb 0.00 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 1d0i s THR 50 CO 0.01 -0.27 -0.12 0.68 -0.54 0.00 0.00 174.62 174.38 1d0i s VAL 51 N -3.33 1.25 -0.40 2.29 -7.23 -1.26 -0.53 120.40 111.19 1d0i s VAL 51 Ca 0.30 -1.83 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 1d0i s VAL 51 Cb 0.06 -1.62 0.12 0.00 0.56 0.00 0.00 36.38 35.50 1d0i s VAL 51 CO 0.10 -0.54 0.18 -0.62 -0.31 0.00 0.00 175.10 173.91 1d0i s ASP 52 N -2.70 3.89 -0.22 4.85 -1.08 -0.05 -4.84 116.67 116.52 1d0i s ASP 52 Ca 0.11 -2.33 -0.17 0.00 -0.52 0.00 0.00 52.55 49.64 1d0i s ASP 52 Cb -0.02 -1.07 -0.03 0.00 -1.46 0.00 0.00 42.92 40.33 1d0i s ASP 52 CO 0.02 -0.32 0.45 0.12 0.52 0.00 0.00 175.17 175.97 1d0i s PHE 53 N 0.72 3.34 0.03 -5.34 2.19 -1.26 -1.11 117.98 116.55 1d0i s PHE 53 Ca 0.15 0.64 0.00 0.00 0.33 0.00 0.00 56.93 58.05 1d0i s PHE 53 Cb -0.22 -2.61 -0.02 0.00 -1.31 0.00 0.00 43.02 38.86 1d0i s PHE 53 CO -0.07 -0.11 -0.04 1.03 1.83 0.00 0.00 175.22 177.86 1d0i s ARG 54 N 1.67 0.42 0.00 10.12 0.52 -0.12 -4.99 118.95 126.57 1d0i s ARG 54 Ca 0.20 -0.75 0.01 0.00 -0.52 0.00 0.00 55.73 54.68 1d0i s ARG 54 Cb -0.15 0.02 -0.01 0.00 0.52 0.00 0.00 34.95 35.34 1d0i s ARG 54 CO 0.09 -0.04 -0.04 -1.14 0.02 0.00 0.00 175.30 174.19 1d0i s GLN 55 N -1.89 0.35 -0.08 3.54 -0.44 -1.26 -0.86 119.66 119.02 1d0i s GLN 55 Ca -0.11 -0.22 -0.18 0.00 -2.50 0.00 0.00 55.36 52.35 1d0i s GLN 55 Cb -0.07 -0.31 0.04 0.00 -1.64 0.00 0.00 33.01 31.03 1d0i s GLN 55 CO -0.02 0.08 0.44 0.45 0.50 0.00 0.00 175.29 176.74 1d0i s SER 56 N -0.28 -0.39 0.00 6.67 0.15 -0.21 -4.96 113.70 114.67 1d0i s SER 56 Ca -0.00 0.54 0.28 0.00 0.70 0.00 0.00 55.95 57.47 1d0i s SER 56 Cb -0.03 0.61 1.01 0.00 -1.71 0.00 0.00 66.02 65.90 1d0i s SER 56 CO -0.00 -0.36 1.72 0.59 1.20 0.00 0.00 173.24 176.39 1d0i n ASN 57 N 1.84 0.80 -4.49 5.45 3.02 -1.26 -2.93 115.26 117.69 1d0i n ASN 57 Ca -0.18 -0.80 -0.36 0.00 -0.03 0.00 0.00 54.58 53.21 1d0i n ASN 57 Cb 0.56 0.03 -0.12 0.00 -0.61 0.00 0.00 39.78 39.64 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 -2.44 3.12 0.21 3.10 3.76 -1.26 -4.74 115.29 117.04 1d0i s HIS 58 Ca 0.28 -0.29 -0.09 0.00 -0.15 0.00 0.00 55.06 54.80 1d0i s HIS 58 Cb 0.20 -2.24 0.27 0.00 1.11 0.00 0.00 32.58 31.92 1d0i s HIS 58 CO 0.48 -0.28 1.78 1.49 -0.85 0.00 0.00 174.74 177.37 1d0i h GLU 59 N 8.08 0.54 -0.44 1.40 4.81 -2.00 -2.10 114.58 124.87 1d0i h GLU 59 Ca -0.38 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.77 1d0i h GLU 59 Cb 1.18 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1d0i h GLU 59 CO 0.59 0.36 0.06 0.78 -0.73 0.00 0.00 179.01 180.07 1d0i h GLY 60 N 0.56 0.73 1.04 1.92 0.00 -1.99 -1.44 103.07 103.89 1d0i h GLY 60 Ca 0.31 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 1d0i h GLY 60 CO -0.24 0.40 -0.06 -2.09 0.00 0.00 0.00 176.54 174.54 1d0i h GLU 61 N 0.65 0.93 -0.08 4.80 4.81 -1.82 -1.51 114.58 122.36 1d0i h GLU 61 Ca 0.14 -0.33 0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1d0i h GLU 61 Cb 0.31 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1d0i h GLU 61 CO 0.00 0.99 -0.01 -0.07 -0.73 0.00 0.00 179.01 179.19 1d0i h LEU 62 N 0.79 -0.05 -0.34 1.64 3.38 -1.08 0.04 115.31 119.69 1d0i h LEU 62 Ca 0.13 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1d0i h LEU 62 Cb 0.61 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 1d0i h LEU 62 CO 0.04 -0.01 -0.39 0.58 0.09 0.00 0.00 178.44 178.75 1d0i h VAL 63 N 0.02 0.17 -0.54 1.22 2.07 -1.15 -0.93 116.25 117.11 1d0i h VAL 63 Ca 0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.66 1d0i h VAL 63 Cb 0.05 0.17 -0.09 0.00 -1.52 0.00 0.00 31.29 29.89 1d0i h VAL 63 CO -0.07 0.00 -0.00 0.44 0.02 0.00 0.00 177.57 177.96 1d0i h ASP 64 N -0.34 -0.23 -0.85 0.57 3.32 -0.92 -0.98 116.42 116.99 1d0i h ASP 64 Ca 0.14 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1d0i h ASP 64 Cb 0.57 0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 1d0i h ASP 64 CO -0.52 -0.09 0.44 -0.50 -1.72 0.00 0.00 179.24 176.85 1d0i h TRP 65 N 0.12 1.19 -0.59 4.55 6.55 -0.77 -2.03 115.95 124.97 1d0i h TRP 65 Ca 0.27 -0.04 -0.08 0.00 0.95 0.00 0.00 58.89 59.99 1d0i h TRP 65 Cb 0.42 -0.38 -0.02 0.00 -0.86 0.00 0.00 29.16 28.32 1d0i h TRP 65 CO -0.33 0.84 0.03 0.82 -1.05 0.00 0.00 178.44 178.75 1d0i h ILE 66 N 1.20 1.26 -0.71 1.49 2.04 -0.24 -1.89 117.51 120.67 1d0i h ILE 66 Ca 0.30 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 1d0i h ILE 66 Cb 0.07 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1d0i h ILE 66 CO -0.04 0.39 0.30 0.45 0.00 0.00 0.00 178.15 179.25 1d0i h HIS 67 N 0.92 1.04 -0.28 1.37 3.86 -0.57 -2.36 115.15 119.12 1d0i h HIS 67 Ca 0.17 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 1d0i h HIS 67 Cb 0.49 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 1d0i h HIS 67 CO 0.03 0.78 0.03 1.49 0.86 0.00 0.00 177.93 181.12 1d0i h GLU 68 N 1.02 0.41 -0.42 2.45 4.81 -0.69 -3.04 114.58 119.12 1d0i h GLU 68 Ca 0.24 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1d0i h GLU 68 Cb 0.16 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1d0i h GLU 68 CO -0.02 0.42 0.08 0.00 -0.73 0.00 0.00 179.01 178.76 1d0i h ALA 69 N 1.63 1.35 -0.92 2.92 0.00 -0.89 -2.38 119.26 120.97 1d0i h ALA 69 Ca 0.09 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.00 1d0i h ALA 69 Cb 0.22 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 17.73 1d0i h ALA 69 CO 0.00 0.46 0.51 0.00 0.00 0.00 0.00 179.25 180.22 1d0i h ARG 70 N 0.62 0.64 0.10 0.00 3.08 -1.53 -0.91 114.38 116.39 1d0i h ARG 70 Ca 0.14 -0.04 -0.30 0.00 0.07 0.00 0.00 59.98 59.85 1d0i h ARG 70 Cb 0.27 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1d0i h ARG 70 CO 0.00 0.43 -1.56 -0.07 -1.07 0.00 0.00 179.97 177.69 1d0i h LEU 71 N 0.66 0.35 -0.72 3.04 3.38 -1.69 -3.42 115.31 116.90 1d0i h LEU 71 Ca 0.53 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1d0i h LEU 71 Cb 0.81 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1d0i h LEU 71 CO -0.39 1.67 -0.16 0.59 0.09 0.00 0.00 178.44 180.24 1d0i n ASN 72 N -3.86 1.10 -4.43 -0.43 3.02 -0.91 -5.01 115.26 104.73 1d0i n ASN 72 Ca -0.28 -1.05 -0.21 0.00 -0.03 0.00 0.00 54.58 53.01 1d0i n ASN 72 Cb 0.92 0.46 -0.10 0.00 -0.61 0.00 0.00 39.78 40.44 1d0i n ASN 72 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1d0i s HIS 73 N -1.17 1.98 -1.28 3.10 3.76 -0.37 -4.42 115.29 116.89 1d0i s HIS 73 Ca 0.07 -0.67 0.23 0.00 -0.15 0.00 0.00 55.06 54.54 1d0i s HIS 73 Cb 0.07 -1.11 0.15 0.00 1.11 0.00 0.00 32.58 32.79 1d0i s HIS 73 CO 0.20 0.32 1.17 0.00 -0.85 0.00 0.00 174.74 175.58 1d0i n GLY 75 N 1.47 0.74 3.05 0.00 0.00 -1.26 -4.42 105.19 104.77 1d0i n GLY 75 Ca 0.06 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 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 1.19 -0.29 -0.61 1.01 -0.19 -1.17 121.20 119.14 1d0i s ILE 76 Ca 0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 1d0i s ILE 76 Cb 0.00 -1.06 -0.00 0.00 0.01 0.00 0.00 42.46 41.40 1d0i s ILE 76 CO 0.00 0.36 0.09 -0.69 0.00 0.00 0.00 174.94 174.70 1d0i s VAL 77 N 0.46 4.14 -0.09 2.92 1.01 0.52 -1.10 120.40 128.28 1d0i s VAL 77 Ca -0.11 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1d0i s VAL 77 Cb -0.14 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1d0i s VAL 77 CO 0.03 0.14 -0.19 -0.51 0.00 0.00 0.00 175.10 174.57 1d0i s ILE 78 N 1.55 1.67 -0.67 2.22 2.07 -0.14 -0.52 121.20 127.38 1d0i s ILE 78 Ca 0.04 -0.79 -0.04 0.00 -1.41 0.00 0.00 60.65 58.45 1d0i s ILE 78 Cb -0.17 -1.47 0.17 0.00 0.13 0.00 0.00 42.46 41.13 1d0i s ILE 78 CO 0.03 0.47 0.50 0.21 -1.91 0.00 0.00 174.94 174.25 1d0i s ASN 79 N 0.47 5.43 0.04 4.50 3.84 0.36 -0.79 114.94 128.80 1d0i s ASN 79 Ca -0.17 -2.94 0.13 0.00 0.21 0.00 0.00 52.86 50.09 1d0i s ASN 79 Cb -0.17 -1.89 0.58 0.00 -0.55 0.00 0.00 41.25 39.22 1d0i s ASN 79 CO 0.07 -0.36 1.43 -0.81 -2.79 0.00 0.00 177.10 174.63 1d0i n PRO 80 N 3.39 0.03 0.00 0.43 -0.05 -1.26 -0.01 135.00 137.53 1d0i n PRO 80 Ca 0.10 0.32 0.00 0.00 -0.05 0.00 0.00 63.50 63.87 1d0i n PRO 80 Cb 0.38 -1.56 0.00 0.00 -0.05 0.00 0.00 33.50 32.28 1d0i n PRO 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1d0i n ALA 81 N -1.54 0.00 0.13 0.55 0.00 -1.26 -1.80 120.51 116.59 1d0i n ALA 81 Ca 0.03 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.62 1d0i n ALA 81 Cb 0.15 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.28 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 -0.44 2.23 0.00 0.00 0.00 -1.94 -1.09 119.26 118.02 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 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1d0i h ALA 82 CO 0.00 -0.35 0.00 1.88 0.00 0.00 0.00 179.25 180.78 1d0i h TYR 83 N 0.00 0.00 -0.73 0.00 0.05 -1.75 -2.45 116.97 112.10 1d0i h TYR 83 Ca 0.13 0.00 0.15 0.00 0.05 0.00 0.00 58.73 59.06 1d0i h TYR 83 Cb 0.54 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.18 1d0i h TYR 83 CO 0.00 0.00 0.20 0.77 -1.05 0.00 0.00 178.16 178.08 1d0i h SER 84 N 0.00 0.08 1.57 3.88 0.02 -1.21 0.15 113.55 118.03 1d0i h SER 84 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1d0i h SER 84 Cb 0.40 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1d0i h SER 84 CO 0.00 -0.00 -0.24 0.45 -1.14 0.00 0.00 176.83 175.90 1d0i h HIS 85 N 0.31 0.00 0.00 3.45 3.86 -1.58 0.22 115.15 121.40 1d0i h HIS 85 Ca 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 1d0i h HIS 85 Cb 0.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1d0i h HIS 85 CO -0.24 0.00 -0.98 0.25 0.86 0.00 0.00 177.93 177.82 1d0i n THR 86 N -2.70 0.00 -3.15 2.45 -2.24 -1.01 -4.81 114.28 102.82 1d0i n THR 86 Ca 0.04 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.36 1d0i n THR 86 Cb 0.50 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.99 6.44 0.32 3.42 0.15 0.01 -4.80 113.70 117.23 1d0i s SER 87 Ca 0.00 -1.95 0.07 0.00 0.70 0.00 0.00 55.95 54.77 1d0i s SER 87 Cb 0.00 -2.29 0.53 0.00 -1.71 0.00 0.00 66.02 62.55 1d0i s SER 87 CO 0.00 -0.93 1.75 0.58 1.20 0.00 0.00 173.24 175.85 1d0i h VAL 88 N 5.58 1.27 -0.38 4.45 2.07 -1.94 -2.79 116.25 124.52 1d0i h VAL 88 Ca -0.09 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.08 1d0i h VAL 88 Cb 1.06 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1d0i h VAL 88 CO 1.00 0.40 0.07 0.00 0.02 0.00 0.00 177.57 179.06 1d0i h ALA 89 N 1.43 1.43 -0.17 1.67 0.00 -1.97 -0.12 119.26 121.52 1d0i h ALA 89 Ca 0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1d0i h ALA 89 Cb 0.69 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1d0i h ALA 89 CO 0.05 0.42 -0.26 0.82 0.00 0.00 0.00 179.25 180.28 1d0i h ILE 90 N 0.55 1.35 -0.30 0.00 2.04 -1.89 -0.86 117.51 118.39 1d0i h ILE 90 Ca 0.13 -1.48 0.07 0.00 1.00 0.00 0.00 64.86 64.57 1d0i h ILE 90 Cb 0.24 1.89 -0.07 0.00 -0.74 0.00 0.00 36.82 38.15 1d0i h ILE 90 CO -0.00 0.45 -0.14 0.25 0.00 0.00 0.00 178.15 178.71 1d0i h LEU 91 N 0.12 -0.47 -0.77 1.44 5.85 -1.20 -1.31 115.31 118.97 1d0i h LEU 91 Ca 0.02 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1d0i h LEU 91 Cb 0.84 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1d0i h LEU 91 CO 0.06 -0.17 0.33 0.44 -0.34 0.00 0.00 178.44 178.75 1d0i h ASP 92 N -0.09 1.05 -0.50 1.25 3.32 -0.81 -1.61 116.42 119.04 1d0i h ASP 92 Ca 0.16 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 57.11 1d0i h ASP 92 Cb 0.33 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 1d0i h ASP 92 CO -0.36 0.93 0.19 0.00 -1.72 0.00 0.00 179.24 178.27 1d0i h ALA 93 N 1.17 0.62 -0.12 3.45 0.00 -0.83 -1.78 119.26 121.76 1d0i h ALA 93 Ca 0.26 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1d0i h ALA 93 Cb 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1d0i h ALA 93 CO -0.02 -0.20 -0.23 -0.07 0.00 0.00 0.00 179.25 178.72 1d0i h LEU 94 N 0.37 0.20 -0.91 0.00 3.38 -0.79 -2.07 115.31 115.49 1d0i h LEU 94 Ca 0.24 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1d0i h LEU 94 Cb 0.24 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1d0i h LEU 94 CO -0.23 0.44 0.00 0.78 0.09 0.00 0.00 178.44 179.52 1d0i h ASN 95 N 0.19 0.00 0.94 -0.43 2.35 -0.75 -3.08 115.58 114.79 1d0i h ASN 95 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1d0i h ASN 95 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1d0i h ASN 95 CO 0.04 0.00 0.00 0.71 -1.65 0.00 0.00 177.43 176.53 1d0i h THR 96 N 0.00 0.00 -3.24 2.81 1.35 -0.59 -3.35 112.91 109.89 1d0i h THR 96 Ca 0.00 -0.43 -0.62 0.00 -0.55 0.00 0.00 66.41 64.81 1d0i h THR 96 Cb 0.62 1.35 -0.40 0.00 -1.73 0.00 0.00 68.15 67.99 1d0i h THR 96 CO 0.00 0.00 -0.70 0.00 -0.25 0.00 0.00 175.52 174.57 1d0i h ASP 98 N 6.93 0.65 1.76 0.00 3.32 -1.80 -3.05 116.42 124.22 1d0i h ASP 98 Ca -0.05 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1d0i h ASP 98 Cb 0.94 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1d0i h ASP 98 CO 0.56 0.35 0.00 1.23 -1.72 0.00 0.00 179.24 179.65 1d0i h GLY 99 N 0.75 0.00 -4.81 2.75 0.00 -1.95 -3.47 103.07 96.35 1d0i h GLY 99 Ca 0.42 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.21 1d0i h GLY 99 CO -0.28 0.00 0.88 -2.27 0.00 0.00 0.00 176.54 174.87 1d0i s LEU 100 N -5.51 4.35 0.12 3.11 2.96 -1.16 -4.95 118.68 117.59 1d0i s LEU 100 Ca 0.08 2.33 -0.31 0.00 -0.22 0.00 0.00 54.13 56.01 1d0i s LEU 100 Cb 0.08 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.12 1d0i s LEU 100 CO 0.64 -0.78 1.44 -2.84 -1.32 0.00 0.00 176.35 173.49 1d0i s PRO 101 N 2.14 4.29 -0.04 0.98 0.02 -1.26 -4.91 135.00 136.22 1d0i s PRO 101 Ca 0.68 2.14 0.02 0.00 0.02 0.00 0.00 61.00 63.86 1d0i s PRO 101 Cb -0.36 -3.27 0.02 0.00 0.02 0.00 0.00 34.50 30.91 1d0i s PRO 101 CO 0.30 -0.49 -0.07 0.08 -0.33 0.00 0.00 177.00 176.49 1d0i s VAL 102 N 1.27 0.67 -0.08 3.83 1.01 -1.26 -1.02 120.40 124.82 1d0i s VAL 102 Ca 0.66 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.43 1d0i s VAL 102 Cb -0.38 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.36 1d0i s VAL 102 CO 0.30 0.25 -0.10 -0.69 0.00 0.00 0.00 175.10 174.86 1d0i s VAL 103 N 0.71 1.04 -0.03 2.92 1.01 -0.25 -0.06 120.40 125.73 1d0i s VAL 103 Ca -0.11 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 1d0i s VAL 103 Cb -0.13 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1d0i s VAL 103 CO 0.01 0.35 0.40 -0.70 0.00 0.00 0.00 175.10 175.16 1d0i s GLU 104 N 1.12 3.98 -0.04 2.72 2.12 0.13 -0.96 118.70 127.76 1d0i s GLU 104 Ca -0.06 0.37 0.02 0.00 0.36 0.00 0.00 54.97 55.66 1d0i s GLU 104 Cb -0.14 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 31.00 1d0i s GLU 104 CO -0.02 0.59 -0.08 0.08 -0.54 0.00 0.00 175.26 175.29 1d0i s VAL 105 N -0.74 0.79 -0.13 3.70 1.01 0.03 -0.64 120.40 124.43 1d0i s VAL 105 Ca 0.23 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1d0i s VAL 105 Cb -0.16 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.49 1d0i s VAL 105 CO 0.12 0.26 -0.22 -1.00 0.00 0.00 0.00 175.10 174.26 1d0i s HIS 106 N 0.53 2.64 0.02 5.22 3.76 0.54 -4.10 115.29 123.90 1d0i s HIS 106 Ca -0.09 -1.20 -0.25 0.00 -0.15 0.00 0.00 55.06 53.38 1d0i s HIS 106 Cb -0.12 -1.78 -0.18 0.00 1.11 0.00 0.00 32.58 31.60 1d0i s HIS 106 CO 0.01 -0.52 1.44 0.82 -0.85 0.00 0.00 174.74 175.64 1d0i h ILE 107 N 5.76 1.24 -4.35 0.60 2.04 -1.86 -1.99 117.51 118.95 1d0i h ILE 107 Ca -0.27 -0.72 -0.51 0.00 1.00 0.00 0.00 64.86 64.36 1d0i h ILE 107 Cb 1.21 1.73 0.06 0.00 -0.74 0.00 0.00 36.82 39.08 1d0i h ILE 107 CO 0.52 0.19 0.41 -0.94 0.00 0.00 0.00 178.15 178.33 1d0i s SER 108 N -5.50 6.11 -0.86 1.72 1.04 -1.26 -2.52 113.70 112.44 1d0i s SER 108 Ca -0.15 1.36 -0.22 0.00 0.48 0.00 0.00 55.95 57.43 1d0i s SER 108 Cb 0.03 -2.38 0.09 0.00 0.10 0.00 0.00 66.02 63.86 1d0i s SER 108 CO 0.67 -0.93 1.17 0.21 0.98 0.00 0.00 173.24 175.33 1d0i s ASN 109 N -4.21 6.43 0.62 7.02 3.84 -1.26 -1.90 114.94 125.48 1d0i s ASN 109 Ca 0.55 -1.47 0.37 0.00 0.21 0.00 0.00 52.86 52.52 1d0i s ASN 109 Cb -0.11 -2.46 2.06 0.00 -0.55 0.00 0.00 41.25 40.19 1d0i s ASN 109 CO 0.53 -1.34 2.28 0.16 -2.79 0.00 0.00 177.10 175.95 1d0i h ILE 110 N 6.11 0.26 0.00 -5.21 3.07 -1.93 -0.54 117.51 119.27 1d0i h ILE 110 Ca -0.00 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 66.33 1d0i h ILE 110 Cb 1.04 1.06 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 1d0i h ILE 110 CO 1.22 0.01 0.00 1.41 -1.05 0.00 0.00 178.15 179.74 1d0i n HIS 111 N -3.44 0.00 1.07 0.16 8.25 -1.26 -2.20 115.22 117.80 1d0i n HIS 111 Ca -0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.56 1d0i n HIS 111 Cb 0.10 -0.43 0.16 0.00 1.12 0.00 0.00 29.99 30.93 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 -1.43 2.19 0.00 -0.41 6.02 -0.21 -4.97 117.38 118.56 1d0i n GLN 112 Ca 0.09 -1.76 0.00 0.00 -0.01 0.00 0.00 57.00 55.32 1d0i n GLN 112 Cb 0.29 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.09 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 1.13 3.51 -1.89 -1.09 1.74 -0.93 -5.07 116.66 114.06 1d0i n ARG 113 Ca 0.15 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.86 1d0i n ARG 113 Cb 0.56 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.05 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 3.31 2.79 0.39 5.56 8.01 -1.26 -4.88 118.70 132.62 1d0i s GLU 114 Ca 0.00 1.90 0.13 0.00 0.01 0.00 0.00 54.97 57.01 1d0i s GLU 114 Cb 0.00 -1.90 0.95 0.00 -4.31 0.00 0.00 34.13 28.88 1d0i s GLU 114 CO 0.00 -1.37 1.86 -1.35 0.01 0.00 0.00 175.26 174.41 1d0i h PRO 115 N 0.71 0.53 0.00 0.39 0.11 -1.96 0.28 132.00 132.05 1d0i h PRO 115 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1d0i h PRO 115 Cb 1.31 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1d0i h PRO 115 CO 0.54 0.35 0.00 1.97 -0.21 0.00 0.00 178.00 180.65 1d0i n PHE 116 N -4.55 0.64 1.36 0.65 1.16 -1.26 -1.47 117.46 113.99 1d0i n PHE 116 Ca 0.18 0.26 0.13 0.00 -1.87 0.00 0.00 57.45 56.16 1d0i n PHE 116 Cb 0.59 -0.92 0.43 0.00 -1.61 0.00 0.00 39.48 37.97 1d0i n PHE 116 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1d0i n ARG 117 N -2.09 1.35 0.14 3.97 1.74 0.09 -4.22 116.66 117.64 1d0i n ARG 117 Ca 0.02 -0.82 -0.01 0.00 -0.77 0.00 0.00 57.85 56.28 1d0i n ARG 117 Cb 0.20 -1.48 0.17 0.00 -1.02 0.00 0.00 32.46 30.33 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 2.00 0.00 -2.82 -1.55 3.86 -1.29 -3.44 115.15 111.90 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 0.53 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.92 1d0i h HIS 118 CO 0.00 0.61 -0.47 -1.58 0.86 0.00 0.00 177.93 177.34 1d0i s HIS 119 N -3.53 3.55 -0.11 2.45 5.65 -1.26 -4.92 115.29 117.12 1d0i s HIS 119 Ca -0.01 0.49 0.03 0.00 0.25 0.00 0.00 55.06 55.82 1d0i s HIS 119 Cb 0.12 -2.01 0.01 0.00 -1.18 0.00 0.00 32.58 29.52 1d0i s HIS 119 CO 0.75 0.61 -0.19 0.45 -0.65 0.00 0.00 174.74 175.71 1d0i s SER 120 N -0.64 2.71 0.36 9.88 0.15 -1.26 -4.07 113.70 120.82 1d0i s SER 120 Ca 0.13 -0.49 0.07 0.00 0.70 0.00 0.00 55.95 56.36 1d0i s SER 120 Cb -0.12 -1.24 0.68 0.00 -1.71 0.00 0.00 66.02 63.64 1d0i s SER 120 CO 0.03 0.08 1.88 1.88 1.20 0.00 0.00 173.24 178.31 1d0i h TYR 121 N 7.08 0.37 -0.13 3.44 0.05 -0.87 -2.97 116.97 123.94 1d0i h TYR 121 Ca -0.27 -0.04 -0.08 0.00 0.05 0.00 0.00 58.73 58.39 1d0i h TYR 121 Cb 1.20 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.83 1d0i h TYR 121 CO 0.47 0.46 -0.26 0.28 -1.05 0.00 0.00 178.16 178.06 1d0i h VAL 122 N 0.33 1.24 -0.01 -2.88 2.07 -1.87 -3.02 116.25 112.11 1d0i h VAL 122 Ca 0.07 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1d0i h VAL 122 Cb 0.39 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1d0i h VAL 122 CO 0.02 0.34 0.01 0.28 0.02 0.00 0.00 177.57 178.25 1d0i h SER 123 N 0.21 0.00 1.31 0.57 0.02 -1.88 -0.62 113.55 113.15 1d0i h SER 123 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1d0i h SER 123 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1d0i h SER 123 CO 0.04 0.00 0.00 0.06 -1.14 0.00 0.00 176.83 175.79 1d0i h GLN 124 N 0.00 0.00 0.00 3.45 3.07 -1.70 -3.30 115.11 116.63 1d0i h GLN 124 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.47 1d0i h GLN 124 Cb 0.03 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.54 1d0i h GLN 124 CO -0.00 0.00 -2.03 -2.13 0.09 0.00 0.00 178.83 174.76 1d0i n ARG 125 N -2.60 1.07 -1.68 0.06 3.00 -0.50 -5.02 116.66 110.99 1d0i n ARG 125 Ca 0.03 0.05 -0.44 0.00 -0.00 0.00 0.00 57.85 57.50 1d0i n ARG 125 Cb 0.38 -1.37 -0.02 0.00 0.00 0.00 0.00 32.46 31.45 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 -2.78 1.23 -0.14 5.13 0.00 -0.36 -4.89 120.51 118.71 1d0i n ALA 126 Ca -0.28 0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 1d0i n ALA 126 Cb 0.92 -2.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 1d0i n ALA 126 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1d0i h ASP 127 N 3.41 0.58 -4.55 0.00 3.32 -0.82 -3.45 116.42 114.90 1d0i h ASP 127 Ca -0.45 -0.19 -0.32 0.00 0.02 0.00 0.00 57.03 56.09 1d0i h ASP 127 Cb 1.28 -0.15 -0.20 0.00 0.22 0.00 0.00 39.33 40.48 1d0i h ASP 127 CO 0.69 0.61 -0.74 -0.83 -1.72 0.00 0.00 179.24 177.25 1d0i s GLY 128 N -2.99 0.73 -0.09 2.75 0.00 -1.23 -5.06 107.32 101.43 1d0i s GLY 128 Ca -0.13 -1.02 -0.02 0.00 0.00 0.00 0.00 44.72 43.56 1d0i s GLY 128 CO 0.76 -1.07 0.01 0.14 0.00 0.00 0.00 173.10 172.93 1d0i s VAL 129 N -1.92 0.37 -0.17 1.40 1.01 -1.26 -0.70 120.40 119.14 1d0i s VAL 129 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 1d0i s VAL 129 Cb -0.06 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1d0i s VAL 129 CO 0.00 0.19 -0.07 -0.69 0.00 0.00 0.00 175.10 174.53 1d0i s VAL 130 N 1.97 3.39 0.00 2.92 1.01 0.19 -4.98 120.40 124.90 1d0i s VAL 130 Ca 0.04 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1d0i s VAL 130 Cb -0.13 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1d0i s VAL 130 CO -0.06 0.48 -0.07 0.00 0.00 0.00 0.00 175.10 175.46 1d0i s ALA 131 N 0.76 0.55 -0.29 5.51 0.00 -1.26 -0.34 121.76 126.69 1d0i s ALA 131 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1d0i s ALA 131 Cb -0.15 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1d0i s ALA 131 CO 0.02 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.30 1d0i n GLY 132 N 2.70 0.60 1.80 0.00 0.00 -0.75 -4.80 105.19 104.74 1d0i n GLY 132 Ca -0.14 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.42 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 0.80 0.14 0.28 0.00 0.00 -1.05 -3.11 105.19 102.25 1d0i n GLY 134 Ca 0.27 -0.96 0.18 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.88 -1.83 116.25 112.50 1d0i h VAL 135 Ca 0.00 -0.38 0.04 0.00 -1.23 0.00 0.00 66.70 65.13 1d0i h VAL 135 Cb 0.00 1.35 -0.01 0.00 -2.13 0.00 0.00 31.29 30.50 1d0i h VAL 135 CO 0.00 0.00 0.11 -0.61 -1.23 0.00 0.00 177.57 175.84 1d0i h GLN 136 N 0.00 0.00 0.00 5.19 4.15 -1.96 -1.33 115.11 121.16 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 0.39 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 1d0i h GLN 136 CO 0.00 0.00 -0.02 0.78 -1.93 0.00 0.00 178.83 177.66 1d0i h GLY 137 N 0.00 0.00 1.97 2.39 0.00 -1.30 -0.06 103.07 106.08 1d0i h GLY 137 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 1d0i h GLY 137 CO -0.00 0.00 -0.52 -0.97 0.00 0.00 0.00 176.54 175.05 1d0i h TYR 138 N 0.00 0.04 -0.36 5.60 -1.99 -1.44 -0.24 116.97 118.58 1d0i h TYR 138 Ca -0.00 -0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.63 1d0i h TYR 138 Cb 0.05 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 1d0i h TYR 138 CO 0.00 0.55 -0.10 0.28 -0.00 0.00 0.00 178.16 178.89 1d0i h VAL 139 N 0.03 1.28 -0.52 -2.88 2.07 -1.14 -1.03 116.25 114.05 1d0i h VAL 139 Ca -0.00 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1d0i h VAL 139 Cb 0.93 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1d0i h VAL 139 CO 0.07 0.39 0.27 -0.26 0.02 0.00 0.00 177.57 178.06 1d0i h PHE 140 N 0.50 0.73 0.02 1.57 0.04 -1.05 -0.21 116.94 118.54 1d0i h PHE 140 Ca 0.09 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.86 1d0i h PHE 140 Cb 0.62 -0.23 -0.05 0.00 2.20 0.00 0.00 35.95 38.49 1d0i h PHE 140 CO 0.05 0.55 -0.32 0.78 -0.60 0.00 0.00 178.31 178.77 1d0i h GLY 141 N 0.69 -0.56 0.94 -1.45 0.00 -0.61 0.50 103.07 102.59 1d0i h GLY 141 Ca 0.18 0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.92 1d0i h GLY 141 CO -0.03 -0.24 0.37 -2.08 0.00 0.00 0.00 176.54 174.57 1d0i h VAL 142 N -0.49 1.11 -0.68 4.60 2.07 -0.91 -0.75 116.25 121.20 1d0i h VAL 142 Ca 0.05 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1d0i h VAL 142 Cb 0.57 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1d0i h VAL 142 CO -0.25 0.14 0.45 -0.33 0.02 0.00 0.00 177.57 177.59 1d0i h GLU 143 N 0.74 0.78 0.02 1.57 5.08 -0.66 -1.47 114.58 120.65 1d0i h GLU 143 Ca 0.22 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.31 1d0i h GLU 143 Cb -0.04 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1d0i h GLU 143 CO -0.07 0.52 -0.98 -0.09 -1.00 0.00 0.00 179.01 177.38 1d0i h ARG 144 N 0.81 0.35 -0.85 2.33 9.65 -0.34 -2.28 114.38 124.05 1d0i h ARG 144 Ca 0.27 -0.41 -0.03 0.00 -1.10 0.00 0.00 59.98 58.71 1d0i h ARG 144 Cb 0.08 0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.74 1d0i h ARG 144 CO -0.08 1.10 0.42 0.82 2.80 0.00 0.00 179.97 185.04 1d0i h ILE 145 N 0.18 1.26 -0.46 1.20 1.08 -0.53 -1.41 117.51 118.83 1d0i h ILE 145 Ca -0.08 -0.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 1d0i h ILE 145 Cb 1.64 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.52 1d0i h ILE 145 CO 0.17 0.30 0.30 0.00 -0.69 0.00 0.00 178.15 178.23 1d0i h ALA 146 N 1.26 0.59 -0.41 1.87 0.00 -1.20 0.46 119.26 121.83 1d0i h ALA 146 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1d0i h ALA 146 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1d0i h ALA 146 CO -0.04 0.05 0.26 0.00 0.00 0.00 0.00 179.25 179.52 1d0i h ALA 147 N 1.16 0.52 -0.14 0.00 0.00 -1.16 -0.69 119.26 118.95 1d0i h ALA 147 Ca 0.17 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 1d0i h ALA 147 Cb -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1d0i h ALA 147 CO -0.04 -0.01 -0.69 -0.07 0.00 0.00 0.00 179.25 178.44 1d0i h LEU 148 N 0.55 0.70 -0.50 0.00 3.38 -0.71 -2.82 115.31 115.91 1d0i h LEU 148 Ca 0.15 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1d0i h LEU 148 Cb -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1d0i h LEU 148 CO -0.03 1.19 -0.35 0.00 0.09 0.00 0.00 178.44 179.34 1d0i h ALA 149 N 0.80 0.86 0.00 1.53 0.00 -0.03 -3.16 119.26 119.26 1d0i h ALA 149 Ca -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1d0i h ALA 149 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1d0i h ALA 149 CO 0.13 0.43 -0.36 0.41 0.00 0.00 0.00 179.25 179.87 1d0i n GLY 150 N 0.73 -1.54 0.11 0.00 0.00 -0.27 -4.81 105.19 99.40 1d0i n GLY 150 Ca 0.01 -0.15 0.16 0.00 0.00 0.00 0.00 46.02 46.03 1d0i n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32