#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 0.42 0.53 0.54 0.52 -1.26 -5.13 118.95 114.57 1d0i s ARG 2 Ca 0.00 -0.49 0.09 0.00 -0.52 0.00 0.00 55.73 54.81 1d0i s ARG 2 Cb 0.00 -0.25 0.06 0.00 0.52 0.00 0.00 34.95 35.28 1d0i s ARG 2 CO 0.00 0.05 0.72 -1.54 0.02 0.00 0.00 175.30 174.56 1d0i s SER 3 N -0.96 5.26 0.22 0.23 1.04 -1.26 -4.65 113.70 113.57 1d0i s SER 3 Ca -0.06 -0.73 -0.07 0.00 0.48 0.00 0.00 55.95 55.57 1d0i s SER 3 Cb -0.07 0.02 0.17 0.00 0.10 0.00 0.00 66.02 66.25 1d0i s SER 3 CO -0.00 -1.17 1.75 -0.07 0.98 0.00 0.00 173.24 174.73 1d0i h LEU 4 N 0.32 1.05 -0.75 2.42 4.07 -1.91 -0.76 115.31 119.75 1d0i h LEU 4 Ca -0.33 -0.20 -0.11 0.00 0.08 0.00 0.00 57.88 57.33 1d0i h LEU 4 Cb 1.29 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.74 1d0i h LEU 4 CO 0.42 0.98 -0.18 0.00 -1.08 0.00 0.00 178.44 178.59 1d0i h ALA 5 N 1.15 0.93 0.00 1.53 0.00 -1.87 -3.28 119.26 117.74 1d0i h ALA 5 Ca 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1d0i h ALA 5 Cb 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1d0i h ALA 5 CO -0.01 0.62 -0.63 0.09 0.00 0.00 0.00 179.25 179.32 1d0i n ASN 6 N -4.13 0.58 -3.63 0.00 3.02 -0.96 -4.95 115.26 105.18 1d0i n ASN 6 Ca 0.01 -0.15 -0.15 0.00 -0.03 0.00 0.00 54.58 54.25 1d0i n ASN 6 Cb 0.40 0.32 -0.08 0.00 -0.61 0.00 0.00 39.78 39.82 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 -3.08 -1.51 0.77 5.41 0.00 -0.33 -4.90 121.76 118.13 1d0i s ALA 7 Ca 0.08 1.46 -0.14 0.00 0.00 0.00 0.00 51.96 53.36 1d0i s ALA 7 Cb 0.16 -0.60 0.06 0.00 0.00 0.00 0.00 23.12 22.74 1d0i s ALA 7 CO 0.72 -0.31 1.20 -1.25 0.00 0.00 0.00 175.76 176.12 1d0i s PRO 8 N -0.29 1.88 -0.05 0.00 0.04 -1.26 -4.10 135.00 131.22 1d0i s PRO 8 Ca -0.05 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 62.43 1d0i s PRO 8 Cb -0.03 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 1d0i s PRO 8 CO 0.04 -2.02 0.90 0.42 0.04 0.00 0.00 177.00 176.38 1d0i s ILE 9 N -2.13 4.90 -0.07 0.56 1.01 -0.36 -0.72 121.20 124.39 1d0i s ILE 9 Ca 0.73 1.87 -0.24 0.00 0.00 0.00 0.00 60.65 63.01 1d0i s ILE 9 Cb -0.28 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 1d0i s ILE 9 CO 0.48 0.14 0.71 -0.32 0.00 0.00 0.00 174.94 175.96 1d0i s MET 10 N 1.25 4.43 -0.26 2.79 -2.45 0.66 -1.60 119.30 124.12 1d0i s MET 10 Ca 0.46 0.90 -0.02 0.00 -1.25 0.00 0.00 55.69 55.78 1d0i s MET 10 Cb -0.19 -3.46 0.02 0.00 1.25 0.00 0.00 34.83 32.46 1d0i s MET 10 CO 0.22 0.04 -0.04 0.42 1.05 0.00 0.00 175.02 176.71 1d0i s ILE 11 N 0.89 3.02 -0.12 10.11 -1.09 -0.31 -0.60 121.20 133.09 1d0i s ILE 11 Ca 0.38 -1.00 0.01 0.00 -2.23 0.00 0.00 60.65 57.81 1d0i s ILE 11 Cb -0.18 -2.55 -0.01 0.00 -1.58 0.00 0.00 42.46 38.15 1d0i s ILE 11 CO 0.18 0.17 -0.16 -0.76 -1.23 0.00 0.00 174.94 173.14 1d0i s LEU 12 N 1.34 2.56 -0.06 2.97 1.43 0.20 -0.13 118.68 126.98 1d0i s LEU 12 Ca 0.00 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1d0i s LEU 12 Cb -0.17 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 1d0i s LEU 12 CO -0.03 0.16 -0.25 0.20 0.23 0.00 0.00 176.35 176.66 1d0i s ASN 13 N 0.38 3.04 0.56 2.29 0.01 -0.07 -1.07 114.94 120.09 1d0i s ASN 13 Ca -0.12 -0.52 0.00 0.00 -0.71 0.00 0.00 52.86 51.51 1d0i s ASN 13 Cb -0.16 -0.93 0.00 0.00 0.41 0.00 0.00 41.25 40.57 1d0i s ASN 13 CO 0.06 0.23 0.00 0.61 -1.51 0.00 0.00 177.10 176.49 1d0i n GLY 14 N 3.05 -0.14 3.75 0.66 0.00 0.46 -1.48 105.19 111.49 1d0i n GLY 14 Ca -0.18 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.01 3.16 0.00 1.61 0.04 -1.01 -2.84 135.00 133.95 1d0i s PRO 15 Ca 0.00 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1d0i s PRO 15 Cb 0.00 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1d0i s PRO 15 CO 0.00 -1.14 0.00 0.09 0.04 0.00 0.00 177.00 175.99 1d0i n ASN 16 N -1.06 0.00 0.27 6.66 3.02 -1.26 -4.55 115.26 118.34 1d0i n ASN 16 Ca 0.11 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.81 1d0i n ASN 16 Cb 0.46 -0.61 0.70 0.00 -0.61 0.00 0.00 39.78 39.72 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 -1.83 3.41 3.38 -1.89 -2.01 115.31 116.38 1d0i h LEU 17 Ca 0.00 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.24 1d0i h LEU 17 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1d0i h LEU 17 CO 0.00 0.08 0.68 -0.55 0.09 0.00 0.00 178.44 178.75 1d0i h ASN 18 N 0.00 0.13 -0.01 -0.43 -1.07 -1.88 -1.49 115.58 110.83 1d0i h ASN 18 Ca -0.00 0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.39 1d0i h ASN 18 Cb 0.47 -0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.72 1d0i h ASN 18 CO 0.01 0.04 -0.00 0.18 0.07 0.00 0.00 177.43 177.73 1d0i n LEU 19 N -4.34 0.95 -4.54 6.14 4.77 -0.75 -4.77 117.00 114.45 1d0i n LEU 19 Ca 0.21 -0.31 -0.49 0.00 -0.03 0.00 0.00 56.01 55.39 1d0i n LEU 19 Cb 0.97 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 42.02 1d0i n LEU 19 CO 0.36 0.16 0.54 -0.11 -1.33 0.00 0.00 177.39 177.01 1d0i n LEU 20 N -0.26 0.94 0.00 2.23 7.94 -0.56 -1.93 117.00 125.35 1d0i n LEU 20 Ca 0.21 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.26 1d0i n LEU 20 Cb 0.26 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 43.06 1d0i n LEU 20 CO 0.17 -1.68 0.00 0.61 -1.11 0.00 0.00 177.39 175.38 1d0i n GLY 21 N 1.80 3.22 0.11 -3.96 0.00 -1.15 -4.16 105.19 101.05 1d0i n GLY 21 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1d0i n GLY 21 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1d0i h GLN 22 N 2.75 0.00 -4.03 1.61 4.20 -1.68 -3.44 115.11 114.51 1d0i h GLN 22 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 1d0i h GLN 22 Cb 0.00 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.67 1d0i h GLN 22 CO 0.00 0.07 -0.32 1.03 -0.67 0.00 0.00 178.83 178.94 1d0i s ARG 23 N -3.26 1.41 -0.67 1.46 0.52 -1.26 -4.98 118.95 112.16 1d0i s ARG 23 Ca -0.01 -1.41 -0.08 0.00 -0.52 0.00 0.00 55.73 53.72 1d0i s ARG 23 Cb 0.09 0.39 0.01 0.00 0.52 0.00 0.00 34.95 35.96 1d0i s ARG 23 CO 0.79 -0.54 0.44 0.00 0.02 0.00 0.00 175.30 176.01 1d0i n GLN 24 N -0.34 -0.90 0.21 3.54 10.64 -1.26 -4.59 117.38 124.68 1d0i n GLN 24 Ca -0.00 0.33 0.13 0.00 -1.83 0.00 0.00 57.00 55.63 1d0i n GLN 24 Cb 0.64 -1.54 0.32 0.00 -0.86 0.00 0.00 30.24 28.80 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 -0.25 0.00 -0.61 2.61 0.13 -1.91 0.80 132.00 132.77 1d0i h PRO 25 Ca -0.48 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1d0i h PRO 25 Cb 1.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.10 1d0i h PRO 25 CO 0.30 0.00 0.38 1.49 -0.23 0.00 0.00 178.00 179.94 1d0i h GLU 26 N 0.00 0.74 0.00 0.86 4.57 -1.87 0.38 114.58 119.26 1d0i h GLU 26 Ca 0.00 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 1d0i h GLU 26 Cb 0.83 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1d0i h GLU 26 CO 0.00 0.49 -0.43 0.82 -1.18 0.00 0.00 179.01 178.71 1d0i h ILE 27 N 0.76 0.64 -0.02 2.32 2.04 -1.85 -3.42 117.51 117.98 1d0i h ILE 27 Ca 0.24 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1d0i h ILE 27 Cb -0.01 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1d0i h ILE 27 CO -0.09 0.22 -0.29 -1.22 0.00 0.00 0.00 178.15 176.77 1d0i n TYR 28 N -4.62 0.00 -2.90 1.37 4.01 0.28 -4.46 117.16 110.84 1d0i n TYR 28 Ca -0.12 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.63 1d0i n TYR 28 Cb 0.34 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.37 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 -2.05 0.02 2.72 0.00 0.13 -4.67 105.19 102.74 1d0i n GLY 29 Ca 0.11 -1.41 0.02 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.08 2.00 -4.81 1.61 3.41 -1.26 -4.24 113.62 110.25 1d0i n SER 30 Ca 0.00 -2.18 -0.35 0.00 -0.26 0.00 0.00 58.87 56.09 1d0i n SER 30 Cb 0.03 -0.08 -0.07 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 -1.33 7.05 0.77 4.04 1.01 -1.26 -4.71 116.67 122.24 1d0i s ASP 31 Ca 0.06 1.61 -0.05 0.00 0.71 0.00 0.00 52.55 54.88 1d0i s ASP 31 Cb 0.05 -2.50 0.13 0.00 1.01 0.00 0.00 42.92 41.62 1d0i s ASP 31 CO 0.01 -0.18 1.07 0.42 0.21 0.00 0.00 175.17 176.70 1d0i s THR 32 N -1.86 2.14 0.25 -1.27 -4.23 -1.26 -2.95 115.64 106.45 1d0i s THR 32 Ca 0.54 -0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.66 1d0i s THR 32 Cb -0.13 -2.73 -0.00 0.00 1.34 0.00 0.00 72.50 70.97 1d0i s THR 32 CO 0.18 0.00 1.61 0.25 -0.54 0.00 0.00 174.62 176.12 1d0i h LEU 33 N -0.79 0.42 -0.88 4.79 5.85 -1.83 -1.94 115.31 120.93 1d0i h LEU 33 Ca -0.40 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.07 1d0i h LEU 33 Cb 1.27 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1d0i h LEU 33 CO 0.43 0.82 0.20 0.00 -0.34 0.00 0.00 178.44 179.55 1d0i h ALA 34 N 1.19 1.09 -0.92 1.25 0.00 -1.94 0.87 119.26 120.80 1d0i h ALA 34 Ca 0.02 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1d0i h ALA 34 Cb 0.94 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1d0i h ALA 34 CO 0.08 0.62 0.61 -0.44 0.00 0.00 0.00 179.25 180.12 1d0i h ASP 35 N 1.00 1.05 -0.32 0.00 3.32 -1.78 -1.75 116.42 117.94 1d0i h ASP 35 Ca 0.22 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.11 1d0i h ASP 35 Cb 0.29 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1d0i h ASP 35 CO -0.01 0.75 -0.34 0.58 -1.72 0.00 0.00 179.24 178.50 1d0i h VAL 36 N 1.23 1.29 -0.50 -1.35 2.07 -0.75 -2.23 116.25 116.01 1d0i h VAL 36 Ca 0.35 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 66.37 1d0i h VAL 36 Cb -0.11 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1d0i h VAL 36 CO -0.08 0.49 0.30 -0.08 0.02 0.00 0.00 177.57 178.22 1d0i h GLU 37 N 0.57 0.57 -0.66 1.57 4.81 -0.18 -1.66 114.58 119.61 1d0i h GLU 37 Ca 0.05 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1d0i h GLU 37 Cb 0.93 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.12 1d0i h GLU 37 CO 0.08 0.38 0.33 0.00 -0.73 0.00 0.00 179.01 179.07 1d0i h ALA 38 N 1.23 0.88 -0.81 2.92 0.00 -1.24 0.80 119.26 123.05 1d0i h ALA 38 Ca 0.20 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1d0i h ALA 38 Cb 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1d0i h ALA 38 CO -0.09 -0.05 0.51 -0.07 0.00 0.00 0.00 179.25 179.55 1d0i h LEU 39 N 0.58 0.84 -0.47 0.00 3.38 -0.87 -1.18 115.31 117.59 1d0i h LEU 39 Ca 0.31 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.16 1d0i h LEU 39 Cb 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1d0i h LEU 39 CO -0.23 0.57 -0.17 0.00 0.09 0.00 0.00 178.44 178.70 1d0i h VAL 41 N 0.80 1.13 -0.52 0.00 2.07 -0.45 -1.55 116.25 117.73 1d0i h VAL 41 Ca 0.11 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1d0i h VAL 41 Cb 0.74 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1d0i h VAL 41 CO 0.06 0.13 0.14 0.50 0.02 0.00 0.00 177.57 178.41 1d0i h LYS 42 N 0.52 0.83 -0.55 1.57 3.64 -1.18 0.23 116.57 121.63 1d0i h LYS 42 Ca 0.14 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1d0i h LYS 42 Cb -0.00 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1d0i h LYS 42 CO -0.03 0.78 0.16 0.00 -2.27 0.00 0.00 179.45 178.10 1d0i h ALA 43 N 1.01 0.72 -0.13 5.00 0.00 -1.09 -2.53 119.26 122.25 1d0i h ALA 43 Ca 0.16 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1d0i h ALA 43 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1d0i h ALA 43 CO -0.00 0.39 -0.47 0.00 0.00 0.00 0.00 179.25 179.18 1d0i h ALA 44 N 1.03 0.97 -0.72 0.00 0.00 -1.12 -3.01 119.26 116.42 1d0i h ALA 44 Ca 0.18 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1d0i h ALA 44 Cb 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1d0i h ALA 44 CO -0.00 0.64 0.26 0.00 0.00 0.00 0.00 179.25 180.15 1d0i h ALA 45 N 1.26 0.93 0.00 0.00 0.00 -0.22 0.49 119.26 121.71 1d0i h ALA 45 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1d0i h ALA 45 Cb 0.92 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1d0i h ALA 45 CO 0.08 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.90 1d0i n ALA 46 N -2.42 1.06 -0.38 0.00 0.00 -0.98 -0.53 120.51 117.25 1d0i n ALA 46 Ca 0.06 0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.63 1d0i n ALA 46 Cb 0.20 -1.16 0.07 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.86 0.11 -1.07 0.00 8.25 -0.97 -4.96 115.22 114.71 1d0i n HIS 47 Ca -0.00 -0.66 -0.03 0.00 -0.26 0.00 0.00 57.72 56.77 1d0i n HIS 47 Cb 0.03 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.03 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 -0.65 0.58 3.65 -1.41 0.00 0.30 -4.78 105.19 102.87 1d0i n GLY 48 Ca 0.07 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.26 2.94 3.45 -0.02 0.00 0.17 -4.42 105.19 105.04 1d0i n GLY 49 Ca -0.03 -2.31 -0.22 0.00 0.00 0.00 0.00 46.02 43.47 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 -2.67 1.43 0.09 2.61 -4.23 -1.26 -3.46 115.64 108.16 1d0i s THR 50 Ca 0.23 -2.05 0.08 0.00 -1.18 0.00 0.00 61.69 58.78 1d0i s THR 50 Cb -0.02 -2.65 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 1d0i s THR 50 CO 0.15 -0.14 -0.22 0.68 -0.54 0.00 0.00 174.62 174.55 1d0i s VAL 51 N -3.14 1.79 -0.45 2.29 -7.23 -1.26 -1.22 120.40 111.18 1d0i s VAL 51 Ca 0.33 -1.50 0.03 0.00 -1.81 0.00 0.00 61.98 59.03 1d0i s VAL 51 Cb 0.07 -1.60 0.13 0.00 0.56 0.00 0.00 36.38 35.53 1d0i s VAL 51 CO 0.14 0.02 0.21 -0.62 -0.31 0.00 0.00 175.10 174.55 1d0i s ASP 52 N -1.77 4.06 -0.21 4.85 -1.08 -0.63 -4.88 116.67 117.02 1d0i s ASP 52 Ca 0.08 -2.65 -0.12 0.00 -0.52 0.00 0.00 52.55 49.33 1d0i s ASP 52 Cb -0.10 -1.32 -0.05 0.00 -1.46 0.00 0.00 42.92 39.99 1d0i s ASP 52 CO 0.04 -0.28 0.24 0.12 0.52 0.00 0.00 175.17 175.82 1d0i s PHE 53 N 0.26 3.37 0.07 -5.34 2.19 -1.26 -1.16 117.98 116.11 1d0i s PHE 53 Ca 0.16 0.41 0.00 0.00 0.33 0.00 0.00 56.93 57.83 1d0i s PHE 53 Cb -0.24 -2.34 -0.04 0.00 -1.31 0.00 0.00 43.02 39.10 1d0i s PHE 53 CO -0.03 0.11 -0.05 1.03 1.83 0.00 0.00 175.22 178.11 1d0i s ARG 54 N 0.93 0.71 -0.03 10.12 0.52 0.81 -4.98 118.95 127.03 1d0i s ARG 54 Ca 0.12 -1.25 -0.06 0.00 -0.52 0.00 0.00 55.73 54.02 1d0i s ARG 54 Cb -0.13 -0.01 0.01 0.00 0.52 0.00 0.00 34.95 35.34 1d0i s ARG 54 CO 0.04 -0.06 0.15 -1.14 0.02 0.00 0.00 175.30 174.31 1d0i s GLN 55 N -3.76 0.32 -0.04 3.54 -0.44 -1.26 -0.89 119.66 117.13 1d0i s GLN 55 Ca 0.08 -0.07 -0.20 0.00 -2.50 0.00 0.00 55.36 52.67 1d0i s GLN 55 Cb 0.06 0.14 0.04 0.00 -1.64 0.00 0.00 33.01 31.61 1d0i s GLN 55 CO -0.07 -0.06 0.45 0.45 0.50 0.00 0.00 175.29 176.56 1d0i s SER 56 N -0.60 -0.38 0.00 6.67 0.15 -0.55 -4.98 113.70 114.01 1d0i s SER 56 Ca -0.07 0.39 0.27 0.00 0.70 0.00 0.00 55.95 57.24 1d0i s SER 56 Cb -0.04 0.46 0.80 0.00 -1.71 0.00 0.00 66.02 65.52 1d0i s SER 56 CO 0.01 -0.47 1.60 0.59 1.20 0.00 0.00 173.24 176.16 1d0i n ASN 57 N 1.32 1.69 -4.47 5.45 3.02 -1.26 -2.42 115.26 118.60 1d0i n ASN 57 Ca -0.20 -1.47 -0.38 0.00 -0.03 0.00 0.00 54.58 52.50 1d0i n ASN 57 Cb 0.56 0.05 -0.12 0.00 -0.61 0.00 0.00 39.78 39.66 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 -2.12 3.15 0.20 3.10 3.76 -1.26 -4.74 115.29 117.39 1d0i s HIS 58 Ca 0.33 -0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 54.74 1d0i s HIS 58 Cb 0.20 -2.32 0.22 0.00 1.11 0.00 0.00 32.58 31.79 1d0i s HIS 58 CO 0.38 -0.37 1.77 1.49 -0.85 0.00 0.00 174.74 177.16 1d0i h GLU 59 N 8.31 0.47 -0.31 1.40 4.81 -2.00 -0.77 114.58 126.49 1d0i h GLU 59 Ca -0.35 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1d0i h GLU 59 Cb 1.16 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1d0i h GLU 59 CO 0.59 0.31 0.00 0.78 -0.73 0.00 0.00 179.01 179.97 1d0i h GLY 60 N 0.49 0.51 1.01 1.92 0.00 -1.99 -0.91 103.07 104.09 1d0i h GLY 60 Ca 0.27 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 1d0i h GLY 60 CO -0.23 0.27 -0.13 -2.09 0.00 0.00 0.00 176.54 174.36 1d0i h GLU 61 N 0.46 0.84 -0.37 4.80 4.81 -1.59 -1.81 114.58 121.71 1d0i h GLU 61 Ca 0.10 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1d0i h GLU 61 Cb 0.30 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1d0i h GLU 61 CO 0.01 0.96 0.13 -0.07 -0.73 0.00 0.00 179.01 179.31 1d0i h LEU 62 N 0.66 0.48 -0.31 1.64 3.38 -0.71 0.33 115.31 120.77 1d0i h LEU 62 Ca 0.10 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1d0i h LEU 62 Cb 0.67 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1d0i h LEU 62 CO 0.05 0.45 -0.10 0.58 0.09 0.00 0.00 178.44 179.51 1d0i h VAL 63 N 0.52 1.28 -0.72 1.22 2.07 -1.07 -1.53 116.25 118.03 1d0i h VAL 63 Ca 0.13 -1.16 0.08 0.00 0.82 0.00 0.00 66.70 66.57 1d0i h VAL 63 Cb 0.14 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 1d0i h VAL 63 CO -0.01 0.37 0.38 0.44 0.02 0.00 0.00 177.57 178.78 1d0i h ASP 64 N 0.39 0.54 -0.18 0.57 3.32 -0.67 -1.48 116.42 118.91 1d0i h ASP 64 Ca 0.08 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 1d0i h ASP 64 Cb 0.60 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1d0i h ASP 64 CO 0.04 0.32 -0.37 -0.50 -1.72 0.00 0.00 179.24 177.01 1d0i h TRP 65 N 0.67 0.84 -0.97 4.55 6.55 -0.63 -2.62 115.95 124.34 1d0i h TRP 65 Ca 0.34 -0.24 0.01 0.00 0.95 0.00 0.00 58.89 59.95 1d0i h TRP 65 Cb 0.29 -0.18 -0.05 0.00 -0.86 0.00 0.00 29.16 28.36 1d0i h TRP 65 CO -0.09 0.97 0.64 0.82 -1.05 0.00 0.00 178.44 179.74 1d0i h ILE 66 N 0.59 1.25 -0.22 1.49 2.04 -0.66 -1.61 117.51 120.38 1d0i h ILE 66 Ca 0.05 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1d0i h ILE 66 Cb 0.90 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1d0i h ILE 66 CO 0.08 0.24 0.03 0.45 0.00 0.00 0.00 178.15 178.94 1d0i h HIS 67 N 1.31 0.32 -0.46 1.37 3.86 -1.02 -2.64 115.15 117.90 1d0i h HIS 67 Ca 0.36 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.46 1d0i h HIS 67 Cb -0.15 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.21 1d0i h HIS 67 CO -0.00 0.31 -0.07 1.49 0.86 0.00 0.00 177.93 180.52 1d0i h GLU 68 N 0.32 0.85 -0.32 2.45 4.81 -0.95 -3.10 114.58 118.64 1d0i h GLU 68 Ca 0.08 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 58.95 1d0i h GLU 68 Cb 0.18 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1d0i h GLU 68 CO 0.00 0.94 -0.02 0.00 -0.73 0.00 0.00 179.01 179.20 1d0i h ALA 69 N 0.89 1.37 -0.35 2.92 0.00 -1.08 -1.90 119.26 121.10 1d0i h ALA 69 Ca 0.12 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1d0i h ALA 69 Cb 0.60 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1d0i h ALA 69 CO 0.04 0.44 0.26 0.00 0.00 0.00 0.00 179.25 179.98 1d0i h ARG 70 N 0.48 0.00 0.00 0.00 3.08 -1.40 -2.08 114.38 114.46 1d0i h ARG 70 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1d0i h ARG 70 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1d0i h ARG 70 CO 0.01 0.00 -1.20 1.28 -1.07 0.00 0.00 179.97 179.00 1d0i n LEU 71 N -4.37 0.23 0.00 3.04 4.77 -0.78 -4.80 117.00 115.09 1d0i n LEU 71 Ca 0.05 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1d0i n LEU 71 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1d0i n LEU 71 CO 0.35 0.06 0.21 0.59 -1.33 0.00 0.00 177.39 177.28 1d0i n ASN 72 N -1.69 0.74 -4.14 -1.43 3.02 -0.82 -5.10 115.26 105.85 1d0i n ASN 72 Ca -0.00 -1.16 -0.11 0.00 -0.03 0.00 0.00 54.58 53.28 1d0i n ASN 72 Cb 0.28 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.35 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 -0.16 0.81 -0.41 3.10 3.76 -0.82 -4.39 115.29 117.18 1d0i s HIS 73 Ca 0.00 -0.86 0.23 0.00 -0.15 0.00 0.00 55.06 54.28 1d0i s HIS 73 Cb 0.00 -0.48 0.11 0.00 1.11 0.00 0.00 32.58 33.32 1d0i s HIS 73 CO 0.00 -0.17 1.13 0.00 -0.85 0.00 0.00 174.74 174.85 1d0i s GLY 75 N -4.05 -0.38 -0.06 0.00 0.00 -1.26 -4.38 107.32 97.19 1d0i s GLY 75 Ca 0.02 0.82 0.03 0.00 0.00 0.00 0.00 44.72 45.58 1d0i s GLY 75 CO 0.77 0.19 -0.13 -0.42 0.00 0.00 0.00 173.10 173.51 1d0i s ILE 76 N -2.51 1.21 -0.23 0.90 1.01 -0.08 -0.25 121.20 121.25 1d0i s ILE 76 Ca 0.13 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 1d0i s ILE 76 Cb 0.03 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 1d0i s ILE 76 CO -0.04 0.37 -0.00 -0.69 0.00 0.00 0.00 174.94 174.58 1d0i s VAL 77 N 0.57 3.66 -0.08 2.92 1.01 0.23 -0.83 120.40 127.89 1d0i s VAL 77 Ca -0.14 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1d0i s VAL 77 Cb -0.15 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.54 1d0i s VAL 77 CO 0.04 0.37 -0.12 -0.51 0.00 0.00 0.00 175.10 174.88 1d0i s ILE 78 N 1.52 1.16 -0.49 2.22 2.07 -0.44 -0.63 121.20 126.61 1d0i s ILE 78 Ca 0.06 -0.47 -0.04 0.00 -1.41 0.00 0.00 60.65 58.78 1d0i s ILE 78 Cb -0.15 -1.08 0.13 0.00 0.13 0.00 0.00 42.46 41.50 1d0i s ILE 78 CO -0.01 0.37 0.31 0.21 -1.91 0.00 0.00 174.94 173.90 1d0i s ASN 79 N 0.82 5.32 0.14 4.50 3.84 -0.23 -1.22 114.94 128.11 1d0i s ASN 79 Ca -0.12 -2.31 0.25 0.00 0.21 0.00 0.00 52.86 50.90 1d0i s ASN 79 Cb -0.15 -1.86 0.93 0.00 -0.55 0.00 0.00 41.25 39.62 1d0i s ASN 79 CO 0.02 -0.50 1.77 -0.81 -2.79 0.00 0.00 177.10 174.78 1d0i n PRO 80 N 4.24 0.15 0.00 0.43 -0.05 -1.26 -0.40 135.00 138.11 1d0i n PRO 80 Ca 0.01 0.21 0.00 0.00 -0.05 0.00 0.00 63.50 63.66 1d0i n PRO 80 Cb 0.40 -1.71 0.00 0.00 -0.05 0.00 0.00 33.50 32.15 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 -1.68 0.00 0.17 0.55 0.00 -1.26 -1.93 120.51 116.36 1d0i n ALA 81 Ca 0.05 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.66 1d0i n ALA 81 Cb 0.34 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.58 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 -0.74 1.94 0.00 0.00 0.00 -1.94 -1.47 119.26 117.05 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 -0.36 0.00 0.66 0.00 0.00 0.00 179.25 179.55 1d0i n TYR 83 N -3.91 0.70 -0.14 0.00 4.01 -0.81 -2.28 117.16 114.73 1d0i n TYR 83 Ca 0.03 0.24 0.02 0.00 -0.16 0.00 0.00 57.90 58.03 1d0i n TYR 83 Cb 0.38 -0.89 0.31 0.00 -0.31 0.00 0.00 39.34 38.83 1d0i n TYR 83 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1d0i h SER 84 N 0.00 0.72 0.98 7.72 0.02 -1.31 0.28 113.55 121.96 1d0i h SER 84 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1d0i h SER 84 Cb 0.49 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1d0i h SER 84 CO 0.00 0.52 -0.62 0.45 -1.14 0.00 0.00 176.83 176.03 1d0i h HIS 85 N 0.85 0.00 0.00 3.45 3.86 -1.62 -0.50 115.15 121.18 1d0i h HIS 85 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1d0i h HIS 85 Cb -0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1d0i h HIS 85 CO -0.00 0.00 -0.95 0.25 0.86 0.00 0.00 177.93 178.09 1d0i n THR 86 N -2.27 0.00 -3.12 2.45 -2.24 -1.10 -4.84 114.28 103.16 1d0i n THR 86 Ca 0.03 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.36 1d0i n THR 86 Cb 0.46 0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 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 -2.18 6.35 0.36 3.42 0.15 0.07 -4.79 113.70 117.07 1d0i s SER 87 Ca 0.00 -1.74 0.17 0.00 0.70 0.00 0.00 55.95 55.08 1d0i s SER 87 Cb 0.00 -2.30 0.63 0.00 -1.71 0.00 0.00 66.02 62.64 1d0i s SER 87 CO 0.00 -1.02 1.72 0.58 1.20 0.00 0.00 173.24 175.72 1d0i h VAL 88 N 5.72 0.97 -0.63 4.45 2.07 -1.94 -2.88 116.25 124.01 1d0i h VAL 88 Ca -0.16 -1.61 -0.04 0.00 0.82 0.00 0.00 66.70 65.72 1d0i h VAL 88 Cb 1.07 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 1d0i h VAL 88 CO 1.05 0.40 0.25 0.00 0.02 0.00 0.00 177.57 179.29 1d0i h ALA 89 N 1.59 0.82 -0.36 1.67 0.00 -1.96 -0.92 119.26 120.09 1d0i h ALA 89 Ca -0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1d0i h ALA 89 Cb 0.92 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1d0i h ALA 89 CO 0.05 0.44 -0.18 0.82 0.00 0.00 0.00 179.25 180.39 1d0i h ILE 90 N 0.89 1.28 -0.37 0.00 2.04 -1.91 -0.45 117.51 118.99 1d0i h ILE 90 Ca 0.21 -1.30 0.03 0.00 1.00 0.00 0.00 64.86 64.80 1d0i h ILE 90 Cb 0.21 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1d0i h ILE 90 CO -0.02 0.43 0.17 0.25 0.00 0.00 0.00 178.15 178.98 1d0i h LEU 91 N 0.55 0.22 -0.96 1.44 5.85 -1.28 -1.89 115.31 119.25 1d0i h LEU 91 Ca 0.08 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 1d0i h LEU 91 Cb 0.72 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1d0i h LEU 91 CO 0.05 0.17 -0.01 0.44 -0.34 0.00 0.00 178.44 178.76 1d0i h ASP 92 N 0.34 0.72 -0.65 1.25 3.32 -1.02 -1.24 116.42 119.14 1d0i h ASP 92 Ca 0.16 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1d0i h ASP 92 Cb 0.10 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1d0i h ASP 92 CO -0.13 0.79 0.19 0.00 -1.72 0.00 0.00 179.24 178.37 1d0i h ALA 93 N 1.29 0.86 -0.05 3.45 0.00 -0.62 -2.45 119.26 121.73 1d0i h ALA 93 Ca 0.14 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1d0i h ALA 93 Cb 0.44 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1d0i h ALA 93 CO 0.02 0.54 -0.50 -0.07 0.00 0.00 0.00 179.25 179.24 1d0i h LEU 94 N 0.95 0.15 -0.38 0.00 3.38 -1.02 -2.88 115.31 115.51 1d0i h LEU 94 Ca 0.21 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1d0i h LEU 94 Cb 0.31 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1d0i h LEU 94 CO -0.00 0.62 0.00 0.59 0.09 0.00 0.00 178.44 179.74 1d0i n ASN 95 N -3.95 0.49 0.00 -0.43 3.02 -0.50 -3.17 115.26 110.71 1d0i n ASN 95 Ca -0.02 0.60 0.13 0.00 -0.03 0.00 0.00 54.58 55.26 1d0i n ASN 95 Cb 0.53 -0.71 0.62 0.00 -0.61 0.00 0.00 39.78 39.60 1d0i n ASN 95 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1d0i n THR 96 N -2.02 0.19 -3.59 3.41 -2.24 -1.03 -4.23 114.28 104.78 1d0i n THR 96 Ca 0.03 0.05 -0.29 0.00 -2.27 0.00 0.00 64.05 61.57 1d0i n THR 96 Cb 0.25 -0.61 -0.13 0.00 -2.10 0.00 0.00 70.33 67.74 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 7.32 0.18 1.02 0.00 3.32 -1.80 -3.22 116.42 123.24 1d0i h ASP 98 Ca -0.03 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 56.81 1d0i h ASP 98 Cb 0.97 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 1d0i h ASP 98 CO 0.38 0.18 -1.00 1.23 -1.72 0.00 0.00 179.24 178.31 1d0i h GLY 99 N 0.34 0.00 -5.05 2.75 0.00 -1.95 -3.46 103.07 95.69 1d0i h GLY 99 Ca 0.05 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.85 1d0i h GLY 99 CO -0.00 0.00 1.11 -0.10 0.00 0.00 0.00 176.54 177.55 1d0i n LEU 100 N -3.30 4.03 -4.70 3.11 7.94 -1.22 -4.91 117.00 117.96 1d0i n LEU 100 Ca -0.01 0.98 -0.42 0.00 -1.11 0.00 0.00 56.01 55.45 1d0i n LEU 100 Cb 0.92 -1.54 -0.03 0.00 0.53 0.00 0.00 43.42 43.30 1d0i n LEU 100 CO 0.46 0.17 1.22 -2.84 -1.11 0.00 0.00 177.39 175.29 1d0i s PRO 101 N 2.82 4.24 -0.10 1.96 0.02 -1.26 -4.91 135.00 137.77 1d0i s PRO 101 Ca 0.82 2.23 0.03 0.00 0.02 0.00 0.00 61.00 64.10 1d0i s PRO 101 Cb -0.49 -3.42 0.01 0.00 0.02 0.00 0.00 34.50 30.62 1d0i s PRO 101 CO 0.38 -0.62 -0.19 0.08 -0.33 0.00 0.00 177.00 176.32 1d0i s VAL 102 N 1.96 1.70 -0.12 3.83 1.01 -1.26 -0.90 120.40 126.62 1d0i s VAL 102 Ca 0.70 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1d0i s VAL 102 Cb -0.39 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.51 1d0i s VAL 102 CO 0.31 0.48 -0.11 -0.69 0.00 0.00 0.00 175.10 175.08 1d0i s VAL 103 N 0.62 1.29 -0.05 2.92 1.01 -0.01 0.25 120.40 126.42 1d0i s VAL 103 Ca -0.14 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 1d0i s VAL 103 Cb -0.16 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1d0i s VAL 103 CO 0.04 0.41 0.59 -0.70 0.00 0.00 0.00 175.10 175.44 1d0i s GLU 104 N 1.46 4.35 -0.08 2.72 2.12 0.73 -1.32 118.70 128.68 1d0i s GLU 104 Ca 0.02 0.70 0.02 0.00 0.36 0.00 0.00 54.97 56.08 1d0i s GLU 104 Cb -0.13 -3.39 0.01 0.00 0.26 0.00 0.00 34.13 30.88 1d0i s GLU 104 CO -0.07 0.23 -0.15 0.08 -0.54 0.00 0.00 175.26 174.81 1d0i s VAL 105 N 0.28 1.38 -0.15 3.70 1.01 -0.35 -0.54 120.40 125.73 1d0i s VAL 105 Ca 0.32 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1d0i s VAL 105 Cb -0.17 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 34.98 1d0i s VAL 105 CO 0.16 0.41 -0.21 -1.00 0.00 0.00 0.00 175.10 174.46 1d0i s HIS 106 N 0.67 2.69 0.05 5.22 3.76 -0.07 -3.93 115.29 123.67 1d0i s HIS 106 Ca -0.14 -1.45 -0.23 0.00 -0.15 0.00 0.00 55.06 53.09 1d0i s HIS 106 Cb -0.16 -1.84 -0.15 0.00 1.11 0.00 0.00 32.58 31.53 1d0i s HIS 106 CO 0.04 -0.68 1.51 0.82 -0.85 0.00 0.00 174.74 175.58 1d0i h ILE 107 N 5.87 1.21 -3.80 0.60 2.04 -1.85 -2.05 117.51 119.52 1d0i h ILE 107 Ca -0.37 -0.63 -0.48 0.00 1.00 0.00 0.00 64.86 64.37 1d0i h ILE 107 Cb 1.17 1.52 0.06 0.00 -0.74 0.00 0.00 36.82 38.83 1d0i h ILE 107 CO 0.58 0.18 0.21 -0.94 0.00 0.00 0.00 178.15 178.18 1d0i s SER 108 N -5.54 5.74 -0.89 1.72 1.04 -1.26 -2.55 113.70 111.95 1d0i s SER 108 Ca -0.14 0.86 -0.20 0.00 0.48 0.00 0.00 55.95 56.94 1d0i s SER 108 Cb 0.05 -1.89 0.10 0.00 0.10 0.00 0.00 66.02 64.38 1d0i s SER 108 CO 0.68 -1.00 1.16 0.21 0.98 0.00 0.00 173.24 175.27 1d0i s ASN 109 N -4.27 6.51 0.54 7.02 3.84 -1.26 -1.82 114.94 125.50 1d0i s ASN 109 Ca 0.53 -1.71 0.34 0.00 0.21 0.00 0.00 52.86 52.23 1d0i s ASN 109 Cb -0.11 -2.44 1.83 0.00 -0.55 0.00 0.00 41.25 39.99 1d0i s ASN 109 CO 0.47 -1.23 2.02 0.16 -2.79 0.00 0.00 177.10 175.73 1d0i h ILE 110 N 6.04 0.00 -0.00 -5.21 3.07 -1.92 -1.15 117.51 118.34 1d0i h ILE 110 Ca 0.07 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.48 1d0i h ILE 110 Cb 1.03 0.75 0.00 0.00 -0.27 0.00 0.00 36.82 38.33 1d0i h ILE 110 CO 1.18 0.00 -0.08 1.41 -1.05 0.00 0.00 178.15 179.61 1d0i n HIS 111 N -2.74 0.00 0.50 0.16 8.25 -1.26 -3.13 115.22 117.00 1d0i n HIS 111 Ca -0.02 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.54 1d0i n HIS 111 Cb 0.12 -0.32 0.14 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 -1.29 2.08 0.00 -0.41 6.02 -0.43 -5.00 117.38 118.35 1d0i n GLN 112 Ca 0.11 -1.93 0.00 0.00 -0.01 0.00 0.00 57.00 55.17 1d0i n GLN 112 Cb 0.29 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.14 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 1.19 3.32 -1.41 -1.09 1.74 -1.18 -5.08 116.66 114.15 1d0i n ARG 113 Ca 0.14 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.88 1d0i n ARG 113 Cb 0.52 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.06 1d0i n ARG 113 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1d0i s GLU 114 N 2.73 2.08 0.57 5.56 8.01 -1.26 -4.88 118.70 131.51 1d0i s GLU 114 Ca 0.00 1.85 0.25 0.00 0.01 0.00 0.00 54.97 57.08 1d0i s GLU 114 Cb 0.00 -1.82 1.60 0.00 -4.31 0.00 0.00 34.13 29.61 1d0i s GLU 114 CO 0.00 -1.90 2.19 -1.35 0.01 0.00 0.00 175.26 174.20 1d0i h PRO 115 N -0.26 0.00 0.00 0.39 0.11 -1.97 0.14 132.00 130.42 1d0i h PRO 115 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1d0i h PRO 115 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1d0i h PRO 115 CO 0.49 0.00 -0.11 0.27 -0.21 0.00 0.00 178.00 178.44 1d0i h PHE 116 N 0.00 0.00 -0.00 0.65 -5.15 -1.97 -1.29 116.94 109.18 1d0i h PHE 116 Ca 0.03 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.80 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 0.11 -0.01 0.54 -2.00 0.00 0.00 178.31 176.95 1d0i n ARG 117 N -3.21 0.33 0.17 6.09 1.74 0.50 -4.07 116.66 118.21 1d0i n ARG 117 Ca 0.01 -0.01 0.02 0.00 -0.77 0.00 0.00 57.85 57.10 1d0i n ARG 117 Cb 0.42 -1.50 0.32 0.00 -1.02 0.00 0.00 32.46 30.68 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 0.03 0.00 -2.90 -1.55 3.86 -1.29 -3.44 115.15 109.86 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 0.35 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.74 1d0i h HIS 118 CO 0.00 0.44 -0.36 -1.58 0.86 0.00 0.00 177.93 177.28 1d0i s HIS 119 N -3.93 3.61 -0.11 2.45 5.65 -1.26 -4.92 115.29 116.78 1d0i s HIS 119 Ca -0.02 0.68 0.01 0.00 0.25 0.00 0.00 55.06 55.99 1d0i s HIS 119 Cb 0.13 -2.13 0.02 0.00 -1.18 0.00 0.00 32.58 29.42 1d0i s HIS 119 CO 0.72 0.61 -0.14 0.45 -0.65 0.00 0.00 174.74 175.73 1d0i s SER 120 N -0.74 2.38 0.39 9.88 0.15 -1.26 -4.20 113.70 120.29 1d0i s SER 120 Ca 0.18 -0.41 0.12 0.00 0.70 0.00 0.00 55.95 56.54 1d0i s SER 120 Cb -0.14 -1.05 0.79 0.00 -1.71 0.00 0.00 66.02 63.91 1d0i s SER 120 CO 0.07 0.00 1.88 1.88 1.20 0.00 0.00 173.24 178.26 1d0i h TYR 121 N 7.49 0.04 -0.15 3.44 0.05 -1.40 -2.98 116.97 123.46 1d0i h TYR 121 Ca -0.31 -0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.35 1d0i h TYR 121 Cb 1.17 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.89 1d0i h TYR 121 CO 0.48 0.33 -0.39 0.28 -1.05 0.00 0.00 178.16 177.81 1d0i h VAL 122 N 0.04 1.30 0.00 -2.88 2.07 -1.87 -3.24 116.25 111.67 1d0i h VAL 122 Ca 0.00 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1d0i h VAL 122 Cb 0.54 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1d0i h VAL 122 CO 0.04 0.45 0.00 0.28 0.02 0.00 0.00 177.57 178.36 1d0i h SER 123 N 0.28 0.00 1.16 0.57 0.02 -1.89 -0.81 113.55 112.88 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 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1d0i h SER 123 CO 0.06 0.00 -0.06 0.00 -1.14 0.00 0.00 176.83 175.69 1d0i n GLN 124 N -2.90 0.12 -0.04 3.45 10.64 -1.22 -3.57 117.38 123.87 1d0i n GLN 124 Ca -0.02 0.09 -0.03 0.00 -1.83 0.00 0.00 57.00 55.22 1d0i n GLN 124 Cb 0.13 -1.64 -0.06 0.00 -0.86 0.00 0.00 30.24 27.81 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 -1.85 2.43 -1.84 2.61 3.00 -0.43 -5.02 116.66 115.56 1d0i n ARG 125 Ca 0.06 -0.01 -0.40 0.00 -0.00 0.00 0.00 57.85 57.50 1d0i n ARG 125 Cb 0.38 -1.21 0.01 0.00 0.00 0.00 0.00 32.46 31.64 1d0i n ARG 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1d0i s ALA 126 N -2.24 3.34 0.04 5.13 0.00 -0.48 -4.90 121.76 122.65 1d0i s ALA 126 Ca -0.04 1.46 -0.25 0.00 0.00 0.00 0.00 51.96 53.13 1d0i s ALA 126 Cb 0.03 -3.58 -0.17 0.00 0.00 0.00 0.00 23.12 19.40 1d0i s ALA 126 CO 0.34 -1.09 1.52 -0.44 0.00 0.00 0.00 175.76 176.08 1d0i h ASP 127 N 2.58 -0.09 -3.66 0.00 3.32 -0.55 -3.45 116.42 114.57 1d0i h ASP 127 Ca -0.51 -0.18 -0.38 0.00 0.02 0.00 0.00 57.03 55.98 1d0i h ASP 127 Cb 1.25 0.02 -0.14 0.00 0.22 0.00 0.00 39.33 40.68 1d0i h ASP 127 CO 0.62 0.13 -0.70 -0.83 -1.72 0.00 0.00 179.24 176.74 1d0i s GLY 128 N -2.57 1.34 -0.11 2.75 0.00 -1.15 -5.05 107.32 102.52 1d0i s GLY 128 Ca -0.14 -1.63 -0.02 0.00 0.00 0.00 0.00 44.72 42.92 1d0i s GLY 128 CO 0.65 -1.67 0.02 0.14 0.00 0.00 0.00 173.10 172.24 1d0i s VAL 129 N -3.23 0.32 -0.18 1.40 1.01 -1.26 -0.19 120.40 118.27 1d0i s VAL 129 Ca 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1d0i s VAL 129 Cb 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1d0i s VAL 129 CO 0.05 0.08 -0.14 -0.69 0.00 0.00 0.00 175.10 174.40 1d0i s VAL 130 N 1.98 2.68 0.03 2.92 1.01 0.30 -5.00 120.40 124.33 1d0i s VAL 130 Ca 0.03 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.32 1d0i s VAL 130 Cb -0.14 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1d0i s VAL 130 CO -0.06 0.50 -0.14 0.00 0.00 0.00 0.00 175.10 175.40 1d0i s ALA 131 N 1.13 1.16 -1.09 5.51 0.00 -1.26 -0.90 121.76 126.32 1d0i s ALA 131 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1d0i s ALA 131 Cb -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1d0i s ALA 131 CO -0.05 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.35 1d0i n GLY 132 N 1.97 0.88 1.09 0.00 0.00 -0.76 -4.78 105.19 103.58 1d0i n GLY 132 Ca -0.18 -0.51 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 -0.30 0.55 0.30 0.00 0.00 -1.06 -2.72 105.19 101.96 1d0i n GLY 134 Ca 0.23 -0.88 0.18 0.00 0.00 0.00 0.00 46.02 45.55 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 0.20 -0.11 1.61 -1.51 -1.89 -1.16 116.25 113.39 1d0i h VAL 135 Ca 0.00 -0.23 0.03 0.00 -1.23 0.00 0.00 66.70 65.28 1d0i h VAL 135 Cb 0.00 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 30.34 1d0i h VAL 135 CO 0.00 0.03 0.11 -0.61 -1.23 0.00 0.00 177.57 175.87 1d0i h GLN 136 N 0.00 0.00 -0.40 5.19 4.15 -1.97 -1.64 115.11 120.44 1d0i h GLN 136 Ca -0.00 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.53 1d0i h GLN 136 Cb 0.18 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1d0i h GLN 136 CO 0.00 0.00 0.29 0.78 -1.93 0.00 0.00 178.83 177.97 1d0i h GLY 137 N 0.00 0.00 1.85 2.39 0.00 -1.00 0.61 103.07 106.92 1d0i h GLY 137 Ca 0.05 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 -0.45 -0.97 0.00 0.00 0.00 176.54 175.12 1d0i h TYR 138 N 0.00 0.19 -0.23 5.60 -1.99 -1.50 -0.24 116.97 118.80 1d0i h TYR 138 Ca 0.19 -0.06 -0.19 0.00 2.00 0.00 0.00 58.73 60.68 1d0i h TYR 138 Cb 0.76 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.46 1d0i h TYR 138 CO 0.00 0.59 -0.58 0.28 -0.00 0.00 0.00 178.16 178.44 1d0i h VAL 139 N 0.13 1.29 -0.80 -2.88 2.07 0.09 -0.86 116.25 115.30 1d0i h VAL 139 Ca 0.01 -1.78 -0.01 0.00 0.82 0.00 0.00 66.70 65.73 1d0i h VAL 139 Cb 0.85 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 1d0i h VAL 139 CO 0.07 0.57 0.45 -0.26 0.02 0.00 0.00 177.57 178.42 1d0i h PHE 140 N 0.56 1.07 -0.15 1.57 0.04 -1.26 0.99 116.94 119.76 1d0i h PHE 140 Ca -0.01 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.78 1d0i h PHE 140 Cb 1.20 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.97 1d0i h PHE 140 CO 0.08 0.73 -0.05 0.78 -0.60 0.00 0.00 178.31 179.26 1d0i h GLY 141 N 1.13 0.10 0.98 -1.45 0.00 -0.59 0.30 103.07 103.54 1d0i h GLY 141 Ca 0.28 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1d0i h GLY 141 CO -0.05 -0.07 0.26 -2.08 0.00 0.00 0.00 176.54 174.61 1d0i h VAL 142 N -0.01 1.18 -0.84 4.60 2.07 -0.62 0.30 116.25 122.93 1d0i h VAL 142 Ca 0.08 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1d0i h VAL 142 Cb 0.13 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1d0i h VAL 142 CO -0.17 0.20 0.47 -0.33 0.02 0.00 0.00 177.57 177.76 1d0i h GLU 143 N 0.67 1.16 -0.25 1.57 5.08 -0.17 -0.57 114.58 122.08 1d0i h GLU 143 Ca 0.18 -0.13 -0.19 0.00 -1.00 0.00 0.00 59.36 58.22 1d0i h GLU 143 Cb 0.08 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1d0i h GLU 143 CO -0.03 0.85 -0.59 -0.09 -1.00 0.00 0.00 179.01 178.15 1d0i h ARG 144 N 1.17 0.80 -0.81 2.33 2.43 0.17 -2.05 114.38 118.42 1d0i h ARG 144 Ca 0.30 -0.53 -0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1d0i h ARG 144 Cb 0.02 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 1d0i h ARG 144 CO -0.05 1.16 0.49 0.82 -1.51 0.00 0.00 179.97 180.88 1d0i h ILE 145 N 0.61 1.22 -0.36 1.20 1.08 -0.50 -1.55 117.51 119.21 1d0i h ILE 145 Ca 0.00 -0.49 -0.00 0.00 -0.39 0.00 0.00 64.86 63.98 1d0i h ILE 145 Cb 1.19 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 1d0i h ILE 145 CO 0.12 0.23 0.22 0.00 -0.69 0.00 0.00 178.15 178.04 1d0i h ALA 146 N 1.42 0.46 -0.37 1.87 0.00 -0.81 -0.05 119.26 121.78 1d0i h ALA 146 Ca 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1d0i h ALA 146 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1d0i h ALA 146 CO -0.05 -0.05 0.24 0.00 0.00 0.00 0.00 179.25 179.38 1d0i h ALA 147 N 1.10 0.47 -0.06 0.00 0.00 -0.98 -2.16 119.26 117.64 1d0i h ALA 147 Ca 0.13 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1d0i h ALA 147 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1d0i h ALA 147 CO -0.03 -0.05 -0.66 -0.07 0.00 0.00 0.00 179.25 178.44 1d0i h LEU 148 N 0.50 0.28 -0.30 0.00 3.38 -0.98 -3.14 115.31 115.05 1d0i h LEU 148 Ca 0.14 -0.17 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 1d0i h LEU 148 Cb -0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1d0i h LEU 148 CO -0.03 0.86 -0.75 0.00 0.09 0.00 0.00 178.44 178.61 1d0i h ALA 149 N 1.14 0.47 0.00 1.53 0.00 -0.89 -3.49 119.26 118.02 1d0i h ALA 149 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1d0i h ALA 149 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1d0i h ALA 149 CO 0.10 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.49