#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 0.37 0.42 0.54 0.52 -1.26 -5.11 118.95 114.43 1d0i s ARG 2 Ca 0.00 -0.45 0.08 0.00 -0.52 0.00 0.00 55.73 54.84 1d0i s ARG 2 Cb 0.00 -0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.27 1d0i s ARG 2 CO 0.00 0.04 0.52 -1.54 0.02 0.00 0.00 175.30 174.34 1d0i s SER 3 N -0.90 5.52 0.38 0.23 1.04 -1.26 -4.74 113.70 113.97 1d0i s SER 3 Ca -0.06 -0.49 0.08 0.00 0.48 0.00 0.00 55.95 55.95 1d0i s SER 3 Cb -0.06 -0.65 0.76 0.00 0.10 0.00 0.00 66.02 66.17 1d0i s SER 3 CO -0.00 -0.73 1.94 -0.07 0.98 0.00 0.00 173.24 175.37 1d0i h LEU 4 N 0.74 0.35 0.00 2.42 4.07 -1.91 -2.39 115.31 118.60 1d0i h LEU 4 Ca -0.40 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.50 1d0i h LEU 4 Cb 1.28 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1d0i h LEU 4 CO 0.48 0.41 -0.00 0.00 -1.08 0.00 0.00 178.44 178.25 1d0i h ALA 5 N 1.64 1.00 0.00 1.53 0.00 -1.86 -3.32 119.26 118.24 1d0i h ALA 5 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.76 1d0i h ALA 5 Cb 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1d0i h ALA 5 CO 0.01 0.00 -1.66 0.09 0.00 0.00 0.00 179.25 177.68 1d0i n ASN 6 N -2.67 0.75 -3.63 0.00 3.02 -0.99 -5.00 115.26 106.74 1d0i n ASN 6 Ca 0.05 0.35 -0.13 0.00 -0.03 0.00 0.00 54.58 54.82 1d0i n ASN 6 Cb 0.48 0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.79 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 -2.75 -1.10 0.56 5.41 0.00 -0.94 -4.96 121.76 117.99 1d0i s ALA 7 Ca -0.05 0.34 -0.15 0.00 0.00 0.00 0.00 51.96 52.10 1d0i s ALA 7 Cb 0.08 0.42 -0.06 0.00 0.00 0.00 0.00 23.12 23.57 1d0i s ALA 7 CO 0.82 -0.50 1.02 -1.25 0.00 0.00 0.00 175.76 175.84 1d0i s PRO 8 N -2.69 3.67 -0.10 0.00 0.04 -1.26 -4.13 135.00 130.53 1d0i s PRO 8 Ca -0.04 0.99 -0.26 0.00 0.04 0.00 0.00 61.00 61.73 1d0i s PRO 8 Cb -0.00 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1d0i s PRO 8 CO -0.04 -0.51 0.81 0.42 0.04 0.00 0.00 177.00 177.73 1d0i s ILE 9 N -2.70 4.94 -0.06 0.56 1.01 0.45 -1.43 121.20 123.97 1d0i s ILE 9 Ca 0.59 1.65 -0.30 0.00 0.00 0.00 0.00 60.65 62.59 1d0i s ILE 9 Cb -0.12 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 1d0i s ILE 9 CO 0.38 0.14 1.04 -0.32 0.00 0.00 0.00 174.94 176.18 1d0i s MET 10 N 1.43 4.44 -0.27 2.79 -2.45 -0.53 0.04 119.30 124.75 1d0i s MET 10 Ca 0.41 1.46 -0.01 0.00 -1.25 0.00 0.00 55.69 56.31 1d0i s MET 10 Cb -0.18 -3.51 0.04 0.00 1.25 0.00 0.00 34.83 32.43 1d0i s MET 10 CO 0.18 -0.27 -0.05 0.42 1.05 0.00 0.00 175.02 176.34 1d0i s ILE 11 N 1.76 2.74 -0.14 10.11 -1.09 -0.14 -0.46 121.20 133.98 1d0i s ILE 11 Ca 0.51 -1.30 -0.01 0.00 -2.23 0.00 0.00 60.65 57.61 1d0i s ILE 11 Cb -0.21 -2.51 -0.02 0.00 -1.58 0.00 0.00 42.46 38.15 1d0i s ILE 11 CO 0.22 0.04 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.11 1d0i s LEU 12 N 1.25 2.93 -0.11 2.97 1.43 0.41 -1.11 118.68 126.44 1d0i s LEU 12 Ca -0.04 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1d0i s LEU 12 Cb -0.19 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1d0i s LEU 12 CO -0.03 0.17 -0.20 0.20 0.23 0.00 0.00 176.35 176.72 1d0i s ASN 13 N 0.32 3.48 0.00 2.29 0.01 -0.48 -1.18 114.94 119.37 1d0i s ASN 13 Ca -0.08 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 1d0i s ASN 13 Cb -0.15 -1.43 0.00 0.00 0.41 0.00 0.00 41.25 40.07 1d0i s ASN 13 CO 0.05 0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.42 1d0i n GLY 14 N 3.45 0.08 3.77 0.66 0.00 0.75 -1.49 105.19 112.41 1d0i n GLY 14 Ca -0.18 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 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 0.89 3.48 0.00 1.61 0.04 -1.04 -3.14 135.00 136.83 1d0i s PRO 15 Ca 0.00 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1d0i s PRO 15 Cb 0.00 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1d0i s PRO 15 CO 0.00 -0.79 0.00 0.09 0.04 0.00 0.00 177.00 176.34 1d0i n ASN 16 N -0.90 0.00 0.25 6.66 3.02 -1.26 -4.57 115.26 118.45 1d0i n ASN 16 Ca 0.10 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.76 1d0i n ASN 16 Cb 0.49 -0.71 0.61 0.00 -0.61 0.00 0.00 39.78 39.56 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 -2.04 3.41 3.38 -1.92 -1.90 115.31 116.25 1d0i h LEU 17 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1d0i h LEU 17 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1d0i h LEU 17 CO 0.00 0.17 0.27 -0.55 0.09 0.00 0.00 178.44 178.42 1d0i h ASN 18 N 0.00 0.00 -0.34 -0.43 -1.07 -1.88 -1.23 115.58 110.64 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 -4.28 2.07 -4.62 6.14 4.77 -0.71 -4.77 117.00 115.60 1d0i n LEU 19 Ca 0.05 -0.99 -0.45 0.00 -0.03 0.00 0.00 56.01 54.59 1d0i n LEU 19 Cb 0.45 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1d0i n LEU 19 CO 0.34 0.49 0.74 -0.11 -1.33 0.00 0.00 177.39 177.53 1d0i n LEU 20 N 0.61 2.25 0.00 2.23 7.94 -0.46 -1.67 117.00 127.89 1d0i n LEU 20 Ca 0.14 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.21 1d0i n LEU 20 Cb 0.34 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 42.97 1d0i n LEU 20 CO 0.10 -1.06 0.00 0.61 -1.11 0.00 0.00 177.39 175.93 1d0i n GLY 21 N 1.54 3.49 0.14 -3.96 0.00 -1.13 -4.11 105.19 101.15 1d0i n GLY 21 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 2.95 0.26 -6.17 1.61 4.20 -1.62 -3.44 115.11 112.90 1d0i h GLN 22 Ca 0.00 -0.44 -0.54 0.00 0.06 0.00 0.00 58.65 57.73 1d0i h GLN 22 Cb 0.00 0.16 -0.08 0.00 0.30 0.00 0.00 27.48 27.86 1d0i h GLN 22 CO 0.00 1.17 -0.59 -0.98 -0.67 0.00 0.00 178.83 177.76 1d0i s ARG 23 N -2.56 2.43 -0.22 1.46 1.04 -1.26 -4.88 118.95 114.95 1d0i s ARG 23 Ca -0.20 -1.39 -0.02 0.00 -1.04 0.00 0.00 55.73 53.07 1d0i s ARG 23 Cb 0.07 -2.24 0.00 0.00 -2.04 0.00 0.00 34.95 30.74 1d0i s ARG 23 CO 0.78 0.29 0.18 1.04 -0.04 0.00 0.00 175.30 177.55 1d0i n GLN 24 N -1.03 -0.48 0.20 3.89 6.02 -1.26 -4.65 117.38 120.06 1d0i n GLN 24 Ca -0.06 0.26 0.06 0.00 -0.01 0.00 0.00 57.00 57.26 1d0i n GLN 24 Cb 0.59 -0.64 0.38 0.00 1.02 0.00 0.00 30.24 31.60 1d0i n GLN 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1d0i h PRO 25 N 0.62 0.00 -0.16 -1.09 0.13 -1.90 0.23 132.00 129.82 1d0i h PRO 25 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1d0i h PRO 25 Cb 0.42 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 1d0i h PRO 25 CO 0.10 0.34 0.10 0.93 -0.23 0.00 0.00 178.00 179.24 1d0i h GLU 26 N 0.00 0.21 0.19 0.86 3.07 -1.87 0.35 114.58 117.40 1d0i h GLU 26 Ca -0.00 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1d0i h GLU 26 Cb 0.81 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 1d0i h GLU 26 CO 0.04 0.17 -0.09 0.82 -1.40 0.00 0.00 179.01 178.55 1d0i h ILE 27 N 0.20 0.12 -0.02 3.13 2.04 -1.87 -3.40 117.51 117.70 1d0i h ILE 27 Ca 0.06 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1d0i h ILE 27 Cb 0.01 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1d0i h ILE 27 CO -0.01 0.04 -0.02 -1.22 0.00 0.00 0.00 178.15 176.93 1d0i n TYR 28 N -4.95 0.00 -0.23 1.37 4.01 0.78 -4.59 117.16 113.55 1d0i n TYR 28 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1d0i n TYR 28 Cb 0.13 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 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 1.30 -2.84 0.00 2.72 0.00 0.12 -4.66 105.19 101.83 1d0i n GLY 29 Ca 0.15 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.58 1.92 -4.85 1.61 3.41 -1.26 -4.23 113.62 109.64 1d0i n SER 30 Ca 0.00 -1.94 -0.32 0.00 -0.26 0.00 0.00 58.87 56.35 1d0i n SER 30 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.94 6.72 0.65 4.04 1.01 -1.26 -4.75 116.67 122.13 1d0i s ASP 31 Ca 0.00 1.37 -0.00 0.00 0.71 0.00 0.00 52.55 54.62 1d0i s ASP 31 Cb 0.00 -2.41 0.08 0.00 1.01 0.00 0.00 42.92 41.60 1d0i s ASP 31 CO 0.00 -0.34 0.91 0.42 0.21 0.00 0.00 175.17 176.37 1d0i s THR 32 N -2.21 2.36 0.38 -1.27 -4.23 -1.26 -2.85 115.64 106.56 1d0i s THR 32 Ca 0.56 -0.60 0.12 0.00 -1.18 0.00 0.00 61.69 60.59 1d0i s THR 32 Cb -0.10 -2.76 0.10 0.00 1.34 0.00 0.00 72.50 71.08 1d0i s THR 32 CO 0.22 0.00 1.84 0.25 -0.54 0.00 0.00 174.62 176.39 1d0i h LEU 33 N -0.29 0.02 -0.94 4.79 5.85 -1.81 -1.29 115.31 121.65 1d0i h LEU 33 Ca -0.39 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 1d0i h LEU 33 Cb 1.28 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1d0i h LEU 33 CO 0.47 0.37 0.07 0.00 -0.34 0.00 0.00 178.44 179.00 1d0i h ALA 34 N 1.63 1.13 -0.67 1.25 0.00 -1.93 -1.32 119.26 119.35 1d0i h ALA 34 Ca -0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1d0i h ALA 34 Cb 0.62 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1d0i h ALA 34 CO 0.05 0.57 0.22 -0.44 0.00 0.00 0.00 179.25 179.64 1d0i h ASP 35 N 0.80 0.95 -0.24 0.00 3.32 -1.64 -1.84 116.42 117.77 1d0i h ASP 35 Ca 0.16 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1d0i h ASP 35 Cb 0.39 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1d0i h ASP 35 CO 0.01 0.89 0.14 0.58 -1.72 0.00 0.00 179.24 179.14 1d0i h VAL 36 N 0.99 1.11 -0.56 -1.35 2.07 -0.67 -0.86 116.25 116.97 1d0i h VAL 36 Ca 0.22 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.52 1d0i h VAL 36 Cb 0.27 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1d0i h VAL 36 CO -0.01 0.10 0.27 -0.08 0.02 0.00 0.00 177.57 177.87 1d0i h GLU 37 N 0.29 0.49 -0.77 1.57 4.81 -0.97 -0.88 114.58 119.13 1d0i h GLU 37 Ca 0.09 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1d0i h GLU 37 Cb 0.05 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1d0i h GLU 37 CO -0.01 0.32 0.28 0.00 -0.73 0.00 0.00 179.01 178.87 1d0i h ALA 38 N 1.33 1.04 -0.78 2.92 0.00 -0.90 -0.26 119.26 122.60 1d0i h ALA 38 Ca 0.26 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.07 1d0i h ALA 38 Cb 0.21 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 1d0i h ALA 38 CO -0.20 0.66 0.41 -0.07 0.00 0.00 0.00 179.25 180.05 1d0i h LEU 39 N 1.12 0.55 -0.28 0.00 3.38 -0.37 -1.59 115.31 118.12 1d0i h LEU 39 Ca 0.25 0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.17 1d0i h LEU 39 Cb 0.25 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1d0i h LEU 39 CO -0.02 0.29 -0.29 0.00 0.09 0.00 0.00 178.44 178.52 1d0i h VAL 41 N 0.44 1.23 -0.13 0.00 2.07 -0.80 -0.61 116.25 118.45 1d0i h VAL 41 Ca 0.04 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1d0i h VAL 41 Cb 0.86 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1d0i h VAL 41 CO 0.07 0.24 0.03 0.50 0.02 0.00 0.00 177.57 178.43 1d0i h LYS 42 N 1.13 0.21 -0.71 1.57 3.64 -1.25 -1.34 116.57 119.82 1d0i h LYS 42 Ca 0.29 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 1d0i h LYS 42 Cb -0.04 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.70 1d0i h LYS 42 CO -0.06 0.38 0.42 0.00 -2.27 0.00 0.00 179.45 177.93 1d0i h ALA 43 N 0.82 0.94 -0.22 5.00 0.00 -0.94 -1.97 119.26 122.89 1d0i h ALA 43 Ca 0.04 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1d0i h ALA 43 Cb 0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1d0i h ALA 43 CO 0.00 0.16 -0.54 0.00 0.00 0.00 0.00 179.25 178.87 1d0i h ALA 44 N 1.33 0.64 -0.82 0.00 0.00 -1.07 -3.08 119.26 116.26 1d0i h ALA 44 Ca 0.30 -0.51 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1d0i h ALA 44 Cb 0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1d0i h ALA 44 CO -0.15 0.69 0.54 0.00 0.00 0.00 0.00 179.25 180.33 1d0i h ALA 45 N 0.90 1.53 0.00 0.00 0.00 -0.54 1.00 119.26 122.15 1d0i h ALA 45 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1d0i h ALA 45 Cb 1.10 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1d0i h ALA 45 CO 0.11 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1d0i h ALA 46 N 1.53 1.00 -0.19 0.00 0.00 -1.29 -0.79 119.26 119.52 1d0i h ALA 46 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1d0i h ALA 46 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1d0i h ALA 46 CO -0.11 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.86 1d0i n HIS 47 N -2.40 0.28 -1.08 0.00 8.25 -0.31 -4.97 115.22 114.98 1d0i n HIS 47 Ca -0.01 -0.53 -0.03 0.00 -0.26 0.00 0.00 57.72 56.89 1d0i n HIS 47 Cb 0.09 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.14 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 -0.00 0.60 2.55 -1.41 0.00 -0.30 -4.77 105.19 101.85 1d0i n GLY 48 Ca 0.07 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.53 3.20 3.22 -0.02 0.00 0.19 -4.19 105.19 105.06 1d0i n GLY 49 Ca -0.03 -2.28 -0.13 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.01 0.26 0.06 2.61 -4.23 -1.26 -3.14 115.64 107.93 1d0i s THR 50 Ca 0.13 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 58.72 1d0i s THR 50 Cb -0.01 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 1d0i s THR 50 CO 0.08 -0.21 -0.13 0.68 -0.54 0.00 0.00 174.62 174.50 1d0i s VAL 51 N -3.96 1.05 -0.39 2.29 -7.23 -1.26 -0.41 120.40 110.49 1d0i s VAL 51 Ca 0.32 -1.17 0.03 0.00 -1.81 0.00 0.00 61.98 59.35 1d0i s VAL 51 Cb 0.07 -1.00 0.11 0.00 0.56 0.00 0.00 36.38 36.12 1d0i s VAL 51 CO 0.08 -0.16 0.13 -0.62 -0.31 0.00 0.00 175.10 174.22 1d0i s ASP 52 N -1.51 4.43 -0.23 4.85 -1.08 0.11 -4.82 116.67 118.41 1d0i s ASP 52 Ca -0.01 -2.35 -0.14 0.00 -0.52 0.00 0.00 52.55 49.52 1d0i s ASP 52 Cb -0.09 -1.46 -0.04 0.00 -1.46 0.00 0.00 42.92 39.87 1d0i s ASP 52 CO 0.02 -0.33 0.32 0.12 0.52 0.00 0.00 175.17 175.81 1d0i s PHE 53 N 0.64 3.32 0.09 -5.34 2.19 -1.26 -0.97 117.98 116.65 1d0i s PHE 53 Ca 0.13 0.43 -0.00 0.00 0.33 0.00 0.00 56.93 57.82 1d0i s PHE 53 Cb -0.21 -2.46 -0.04 0.00 -1.31 0.00 0.00 43.02 39.00 1d0i s PHE 53 CO -0.08 -0.05 -0.01 1.03 1.83 0.00 0.00 175.22 177.94 1d0i s ARG 54 N 1.46 0.78 -0.07 10.12 0.52 -0.27 -4.97 118.95 126.52 1d0i s ARG 54 Ca 0.14 -1.33 -0.07 0.00 -0.52 0.00 0.00 55.73 53.95 1d0i s ARG 54 Cb -0.15 0.12 0.02 0.00 0.52 0.00 0.00 34.95 35.46 1d0i s ARG 54 CO 0.08 -0.14 0.20 -1.14 0.02 0.00 0.00 175.30 174.32 1d0i s GLN 55 N -3.95 0.27 -0.06 3.54 -0.44 -1.26 -1.39 119.66 116.38 1d0i s GLN 55 Ca 0.14 0.22 -0.20 0.00 -2.50 0.00 0.00 55.36 53.02 1d0i s GLN 55 Cb 0.07 0.13 0.04 0.00 -1.64 0.00 0.00 33.01 31.61 1d0i s GLN 55 CO -0.05 -0.04 0.45 0.45 0.50 0.00 0.00 175.29 176.60 1d0i s SER 56 N -0.06 -0.39 0.00 6.67 0.15 -0.55 -4.98 113.70 114.54 1d0i s SER 56 Ca -0.02 0.46 0.27 0.00 0.70 0.00 0.00 55.95 57.36 1d0i s SER 56 Cb -0.02 0.52 0.84 0.00 -1.71 0.00 0.00 66.02 65.65 1d0i s SER 56 CO 0.01 -0.43 1.62 0.59 1.20 0.00 0.00 173.24 176.22 1d0i n ASN 57 N 1.52 0.98 -4.57 5.45 3.02 -1.26 -2.51 115.26 117.89 1d0i n ASN 57 Ca -0.19 -0.89 -0.35 0.00 -0.03 0.00 0.00 54.58 53.12 1d0i n ASN 57 Cb 0.56 0.10 -0.11 0.00 -0.61 0.00 0.00 39.78 39.72 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 -2.46 3.18 0.13 3.10 3.76 -1.26 -4.73 115.29 117.01 1d0i s HIS 58 Ca 0.26 -0.09 -0.15 0.00 -0.15 0.00 0.00 55.06 54.92 1d0i s HIS 58 Cb 0.19 -2.13 -0.01 0.00 1.11 0.00 0.00 32.58 31.75 1d0i s HIS 58 CO 0.50 -0.02 1.65 1.49 -0.85 0.00 0.00 174.74 177.50 1d0i h GLU 59 N 7.23 0.64 -0.81 1.40 4.81 -2.00 -1.69 114.58 124.16 1d0i h GLU 59 Ca -0.36 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1d0i h GLU 59 Cb 1.17 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 1d0i h GLU 59 CO 0.65 0.65 0.54 0.78 -0.73 0.00 0.00 179.01 180.89 1d0i h GLY 60 N 0.52 1.15 0.96 1.92 0.00 -1.99 -1.02 103.07 104.60 1d0i h GLY 60 Ca 0.13 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1d0i h GLY 60 CO -0.00 0.42 0.16 -2.09 0.00 0.00 0.00 176.54 175.03 1d0i h GLU 61 N 1.11 0.72 -0.44 4.80 4.81 -1.90 -0.96 114.58 122.71 1d0i h GLU 61 Ca 0.30 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1d0i h GLU 61 Cb -0.12 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.10 1d0i h GLU 61 CO -0.06 0.67 0.17 -0.07 -0.73 0.00 0.00 179.01 178.98 1d0i h LEU 62 N 0.62 0.19 -0.42 1.64 3.38 -0.70 -0.59 115.31 119.42 1d0i h LEU 62 Ca 0.15 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1d0i h LEU 62 Cb 0.24 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1d0i h LEU 62 CO -0.01 0.14 0.19 0.58 0.09 0.00 0.00 178.44 179.43 1d0i h VAL 63 N 0.34 0.94 -0.74 1.22 2.07 -0.97 -0.83 116.25 118.27 1d0i h VAL 63 Ca 0.21 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.65 1d0i h VAL 63 Cb 0.19 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1d0i h VAL 63 CO -0.20 0.07 0.49 0.44 0.02 0.00 0.00 177.57 178.39 1d0i h ASP 64 N 0.39 0.73 0.25 0.57 3.32 -0.58 -1.35 116.42 119.74 1d0i h ASP 64 Ca 0.19 -0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.04 1d0i h ASP 64 Cb 0.12 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1d0i h ASP 64 CO -0.15 0.48 -0.79 -0.50 -1.72 0.00 0.00 179.24 176.56 1d0i h TRP 65 N 0.83 0.60 -0.63 4.55 6.55 -0.66 -2.36 115.95 124.83 1d0i h TRP 65 Ca 0.31 -0.28 -0.03 0.00 0.95 0.00 0.00 58.89 59.84 1d0i h TRP 65 Cb 0.17 -0.09 -0.03 0.00 -0.86 0.00 0.00 29.16 28.36 1d0i h TRP 65 CO -0.00 1.06 0.29 0.82 -1.05 0.00 0.00 178.44 179.56 1d0i h ILE 66 N 0.28 1.22 -0.96 1.49 2.04 -0.58 -1.79 117.51 119.21 1d0i h ILE 66 Ca -0.04 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.23 1d0i h ILE 66 Cb 1.38 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 1d0i h ILE 66 CO 0.14 0.26 0.62 0.45 0.00 0.00 0.00 178.15 179.62 1d0i h HIS 67 N 0.86 1.15 -0.77 1.37 3.86 -0.95 -2.34 115.15 118.34 1d0i h HIS 67 Ca 0.21 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 1d0i h HIS 67 Cb 0.14 -0.38 -0.04 0.00 1.06 0.00 0.00 27.41 28.20 1d0i h HIS 67 CO 0.00 0.61 0.40 1.49 0.86 0.00 0.00 177.93 181.30 1d0i h GLU 68 N 1.15 1.09 -0.57 2.45 4.81 -0.88 -2.77 114.58 119.85 1d0i h GLU 68 Ca 0.41 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1d0i h GLU 68 Cb 0.12 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1d0i h GLU 68 CO -0.16 0.81 0.23 0.00 -0.73 0.00 0.00 179.01 179.16 1d0i h ALA 69 N 1.35 1.33 -1.00 2.92 0.00 -0.80 -1.93 119.26 121.13 1d0i h ALA 69 Ca 0.27 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.17 1d0i h ALA 69 Cb 0.06 -0.23 -0.09 0.00 0.00 0.00 0.00 17.79 17.53 1d0i h ALA 69 CO -0.04 0.50 0.62 0.00 0.00 0.00 0.00 179.25 180.34 1d0i h ARG 70 N 0.82 0.89 0.00 0.00 3.08 -1.27 -2.01 114.38 115.88 1d0i h ARG 70 Ca 0.20 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 59.98 1d0i h ARG 70 Cb 0.16 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1d0i h ARG 70 CO -0.02 0.59 -1.90 1.28 -1.07 0.00 0.00 179.97 178.85 1d0i n LEU 71 N -4.65 0.36 -0.13 3.04 4.77 -0.98 -4.72 117.00 114.70 1d0i n LEU 71 Ca 0.20 0.16 0.01 0.00 -0.03 0.00 0.00 56.01 56.36 1d0i n LEU 71 Cb 0.42 0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.74 1d0i n LEU 71 CO 0.26 0.25 0.35 0.59 -1.33 0.00 0.00 177.39 177.50 1d0i n ASN 72 N -2.70 1.45 -4.15 -1.43 3.02 -0.76 -5.08 115.26 105.60 1d0i n ASN 72 Ca -0.17 -1.31 -0.13 0.00 -0.03 0.00 0.00 54.58 52.94 1d0i n ASN 72 Cb 0.90 -0.01 -0.11 0.00 -0.61 0.00 0.00 39.78 39.95 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 -0.40 0.92 -1.13 3.10 3.76 -0.78 -4.34 115.29 116.43 1d0i s HIS 73 Ca 0.04 -0.71 0.28 0.00 -0.15 0.00 0.00 55.06 54.51 1d0i s HIS 73 Cb 0.03 -0.52 0.98 0.00 1.11 0.00 0.00 32.58 34.18 1d0i s HIS 73 CO 0.04 -0.07 1.74 0.00 -0.85 0.00 0.00 174.74 175.60 1d0i n GLY 75 N 1.45 -0.73 2.94 0.00 0.00 -1.26 -4.36 105.19 103.24 1d0i n GLY 75 Ca 0.08 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 1d0i n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d0i s ILE 76 N -2.00 0.78 -0.24 -0.61 1.01 -0.41 -1.45 121.20 118.28 1d0i s ILE 76 Ca 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.30 1d0i s ILE 76 Cb 0.00 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 1d0i s ILE 76 CO 0.00 0.28 0.11 -0.69 0.00 0.00 0.00 174.94 174.64 1d0i s VAL 77 N 0.82 4.85 -0.08 2.92 1.01 0.39 -1.03 120.40 129.27 1d0i s VAL 77 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1d0i s VAL 77 Cb -0.15 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 32.99 1d0i s VAL 77 CO 0.01 0.34 -0.08 -0.51 0.00 0.00 0.00 175.10 174.86 1d0i s ILE 78 N 1.30 0.94 -0.65 2.22 2.07 -0.14 -0.45 121.20 126.49 1d0i s ILE 78 Ca 0.06 -0.30 -0.10 0.00 -1.41 0.00 0.00 60.65 58.90 1d0i s ILE 78 Cb -0.15 -0.93 0.17 0.00 0.13 0.00 0.00 42.46 41.68 1d0i s ILE 78 CO 0.05 0.33 0.54 0.21 -1.91 0.00 0.00 174.94 174.16 1d0i s ASN 79 N 1.24 5.99 0.00 4.50 3.84 -0.32 -0.48 114.94 129.72 1d0i s ASN 79 Ca -0.04 -2.46 0.23 0.00 0.21 0.00 0.00 52.86 50.80 1d0i s ASN 79 Cb -0.14 -2.05 1.01 0.00 -0.55 0.00 0.00 41.25 39.51 1d0i s ASN 79 CO -0.03 -0.57 1.74 -2.65 -2.79 0.00 0.00 177.10 172.80 1d0i n PRO 80 N 4.19 0.04 0.00 0.43 -0.02 -1.26 -0.18 135.00 138.21 1d0i n PRO 80 Ca 0.04 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1d0i n PRO 80 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 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 -1.47 0.00 0.31 3.55 0.00 -1.26 -1.90 120.51 119.73 1d0i n ALA 81 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.68 1d0i n ALA 81 Cb 0.26 0.00 1.02 0.00 0.00 0.00 0.00 19.45 20.72 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 -0.59 1.36 0.00 0.00 0.00 -1.94 -1.99 119.26 116.10 1d0i h ALA 82 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1d0i h ALA 82 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1d0i h ALA 82 CO 0.00 -0.02 -0.19 1.88 0.00 0.00 0.00 179.25 180.92 1d0i h TYR 83 N 0.00 0.00 -0.70 0.00 0.05 -1.78 -2.58 116.97 111.97 1d0i h TYR 83 Ca 0.00 0.00 0.15 0.00 0.05 0.00 0.00 58.73 58.94 1d0i h TYR 83 Cb 0.03 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 37.65 1d0i h TYR 83 CO 0.00 0.19 -0.01 0.77 -1.05 0.00 0.00 178.16 178.06 1d0i h SER 84 N 0.00 -0.34 1.14 3.88 0.02 -1.38 0.14 113.55 117.00 1d0i h SER 84 Ca -0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1d0i h SER 84 Cb 0.68 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1d0i h SER 84 CO 0.02 -0.16 -0.13 1.41 -1.14 0.00 0.00 176.83 176.84 1d0i n HIS 85 N -5.33 0.47 0.00 3.45 8.25 -0.97 -0.40 115.22 120.68 1d0i n HIS 85 Ca 0.12 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1d0i n HIS 85 Cb 0.42 -0.68 0.00 0.00 1.12 0.00 0.00 29.99 30.85 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 -1.90 0.00 -3.10 1.59 -2.24 -0.86 -4.79 114.28 102.98 1d0i n THR 86 Ca 0.06 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.39 1d0i n THR 86 Cb 0.39 0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.68 6.28 0.34 3.42 0.15 0.42 -4.81 113.70 117.82 1d0i s SER 87 Ca 0.00 -1.59 0.10 0.00 0.70 0.00 0.00 55.95 55.15 1d0i s SER 87 Cb 0.00 -2.31 0.60 0.00 -1.71 0.00 0.00 66.02 62.60 1d0i s SER 87 CO 0.00 -1.08 1.78 0.58 1.20 0.00 0.00 173.24 175.72 1d0i h VAL 88 N 5.82 1.28 -0.50 4.45 2.07 -1.94 -2.91 116.25 124.51 1d0i h VAL 88 Ca -0.21 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.00 1d0i h VAL 88 Cb 1.08 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 1d0i h VAL 88 CO 1.08 0.39 0.28 0.00 0.02 0.00 0.00 177.57 179.34 1d0i h ALA 89 N 1.51 0.64 -0.40 1.67 0.00 -1.97 0.08 119.26 120.79 1d0i h ALA 89 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1d0i h ALA 89 Cb 0.70 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1d0i h ALA 89 CO 0.05 -0.04 -0.32 0.82 0.00 0.00 0.00 179.25 179.76 1d0i h ILE 90 N 0.55 1.27 -0.34 0.00 2.04 -1.91 -0.47 117.51 118.66 1d0i h ILE 90 Ca 0.21 -1.49 0.06 0.00 1.00 0.00 0.00 64.86 64.63 1d0i h ILE 90 Cb 0.07 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 1d0i h ILE 90 CO -0.12 0.50 0.04 0.25 0.00 0.00 0.00 178.15 178.82 1d0i h LEU 91 N 0.75 -0.06 -1.15 1.44 5.85 -1.28 -2.14 115.31 118.72 1d0i h LEU 91 Ca 0.07 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1d0i h LEU 91 Cb 0.91 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1d0i h LEU 91 CO 0.08 0.01 0.05 0.44 -0.34 0.00 0.00 178.44 178.68 1d0i h ASP 92 N 0.14 0.60 -0.53 1.25 3.32 -0.78 -1.77 116.42 118.65 1d0i h ASP 92 Ca 0.16 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1d0i h ASP 92 Cb 0.20 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1d0i h ASP 92 CO -0.24 0.64 0.33 0.00 -1.72 0.00 0.00 179.24 178.24 1d0i h ALA 93 N 1.44 0.67 -0.09 3.45 0.00 -0.52 -2.23 119.26 121.98 1d0i h ALA 93 Ca 0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1d0i h ALA 93 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1d0i h ALA 93 CO 0.01 0.15 -0.15 -0.07 0.00 0.00 0.00 179.25 179.19 1d0i h LEU 94 N 0.71 0.13 0.00 0.00 3.38 -1.01 -2.51 115.31 116.01 1d0i h LEU 94 Ca 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1d0i h LEU 94 Cb -0.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1d0i h LEU 94 CO -0.04 0.30 -0.01 0.59 0.09 0.00 0.00 178.44 179.38 1d0i n ASN 95 N -4.29 0.69 0.24 -0.43 3.02 -0.70 -3.03 115.26 110.75 1d0i n ASN 95 Ca -0.01 0.56 0.15 0.00 -0.03 0.00 0.00 54.58 55.25 1d0i n ASN 95 Cb 0.26 -0.74 0.49 0.00 -0.61 0.00 0.00 39.78 39.18 1d0i n ASN 95 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1d0i h THR 96 N 0.00 0.00 -3.17 3.41 1.35 -1.18 -3.36 112.91 109.96 1d0i h THR 96 Ca 0.00 -0.64 -0.61 0.00 -0.55 0.00 0.00 66.41 64.60 1d0i h THR 96 Cb 0.70 1.62 -0.40 0.00 -1.73 0.00 0.00 68.15 68.34 1d0i h THR 96 CO 0.00 0.00 -0.73 0.00 -0.25 0.00 0.00 175.52 174.54 1d0i h ASP 98 N 7.21 -0.58 1.37 0.00 3.32 -1.80 -3.00 116.42 122.94 1d0i h ASP 98 Ca -0.06 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1d0i h ASP 98 Cb 0.96 0.36 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1d0i h ASP 98 CO 0.51 -0.20 -0.16 1.23 -1.72 0.00 0.00 179.24 178.89 1d0i h GLY 99 N -0.04 0.00 -5.10 2.75 0.00 -1.95 -3.46 103.07 95.28 1d0i h GLY 99 Ca 0.24 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.03 1d0i h GLY 99 CO -0.55 0.00 1.04 -2.27 0.00 0.00 0.00 176.54 174.77 1d0i s LEU 100 N -4.62 4.35 0.29 3.11 2.96 -1.13 -4.94 118.68 118.70 1d0i s LEU 100 Ca 0.09 2.38 -0.30 0.00 -0.22 0.00 0.00 54.13 56.08 1d0i s LEU 100 Cb 0.12 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 43.15 1d0i s LEU 100 CO 0.64 -0.90 1.47 -2.84 -1.32 0.00 0.00 176.35 173.39 1d0i s PRO 101 N 3.32 4.22 -0.04 0.98 0.02 -1.26 -4.91 135.00 137.32 1d0i s PRO 101 Ca 0.74 2.40 0.01 0.00 0.02 0.00 0.00 61.00 64.17 1d0i s PRO 101 Cb -0.37 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.11 1d0i s PRO 101 CO 0.32 -0.46 -0.03 0.08 -0.33 0.00 0.00 177.00 176.57 1d0i s VAL 102 N -0.33 0.47 -0.09 3.83 1.01 -1.26 -1.28 120.40 122.75 1d0i s VAL 102 Ca 0.58 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1d0i s VAL 102 Cb -0.44 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.43 1d0i s VAL 102 CO 0.49 0.22 -0.16 -0.69 0.00 0.00 0.00 175.10 174.96 1d0i s VAL 103 N 1.02 1.47 -0.13 2.92 1.01 -0.20 -0.66 120.40 125.82 1d0i s VAL 103 Ca -0.10 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 1d0i s VAL 103 Cb -0.14 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1d0i s VAL 103 CO -0.01 0.43 0.30 -0.70 0.00 0.00 0.00 175.10 175.13 1d0i s GLU 104 N 0.76 4.15 -0.07 2.72 2.12 -0.14 -0.97 118.70 127.27 1d0i s GLU 104 Ca -0.12 0.14 0.04 0.00 0.36 0.00 0.00 54.97 55.39 1d0i s GLU 104 Cb -0.16 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 30.85 1d0i s GLU 104 CO 0.02 0.34 -0.18 0.08 -0.54 0.00 0.00 175.26 174.98 1d0i s VAL 105 N 0.15 1.59 -0.08 3.70 1.01 0.37 -1.13 120.40 126.00 1d0i s VAL 105 Ca 0.18 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1d0i s VAL 105 Cb -0.13 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 1d0i s VAL 105 CO 0.05 0.45 -0.22 -1.00 0.00 0.00 0.00 175.10 174.38 1d0i s HIS 106 N 0.28 2.55 0.05 5.22 3.76 0.95 -4.02 115.29 124.08 1d0i s HIS 106 Ca -0.11 -0.80 -0.18 0.00 -0.15 0.00 0.00 55.06 53.82 1d0i s HIS 106 Cb -0.15 -1.68 -0.14 0.00 1.11 0.00 0.00 32.58 31.72 1d0i s HIS 106 CO 0.05 -0.27 1.31 0.82 -0.85 0.00 0.00 174.74 175.80 1d0i h ILE 107 N 5.30 1.35 -3.78 0.60 2.04 -1.86 -2.06 117.51 119.10 1d0i h ILE 107 Ca -0.27 -1.53 -0.49 0.00 1.00 0.00 0.00 64.86 63.57 1d0i h ILE 107 Cb 1.20 1.94 0.04 0.00 -0.74 0.00 0.00 36.82 39.27 1d0i h ILE 107 CO 0.48 0.46 0.20 -0.94 0.00 0.00 0.00 178.15 178.35 1d0i s SER 108 N -6.40 6.12 -0.81 1.72 1.04 -1.26 -2.65 113.70 111.47 1d0i s SER 108 Ca -0.13 1.01 -0.23 0.00 0.48 0.00 0.00 55.95 57.08 1d0i s SER 108 Cb 0.06 -2.20 0.07 0.00 0.10 0.00 0.00 66.02 64.05 1d0i s SER 108 CO 0.79 -0.74 1.17 0.21 0.98 0.00 0.00 173.24 175.65 1d0i s ASN 109 N -4.16 6.34 0.56 7.02 3.84 -1.26 -1.66 114.94 125.61 1d0i s ASN 109 Ca 0.50 -1.20 0.27 0.00 0.21 0.00 0.00 52.86 52.64 1d0i s ASN 109 Cb -0.10 -2.48 1.62 0.00 -0.55 0.00 0.00 41.25 39.74 1d0i s ASN 109 CO 0.47 -1.46 2.18 0.16 -2.79 0.00 0.00 177.10 175.66 1d0i h ILE 110 N 6.13 0.61 0.00 -5.21 3.07 -1.92 -0.19 117.51 120.00 1d0i h ILE 110 Ca -0.09 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 66.12 1d0i h ILE 110 Cb 1.04 1.12 0.00 0.00 -0.27 0.00 0.00 36.82 38.72 1d0i h ILE 110 CO 1.24 0.05 0.00 1.41 -1.05 0.00 0.00 178.15 179.80 1d0i n HIS 111 N -3.87 0.00 0.69 0.16 8.25 -1.26 -2.75 115.22 116.43 1d0i n HIS 111 Ca -0.03 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.54 1d0i n HIS 111 Cb 0.14 -0.19 0.12 0.00 1.12 0.00 0.00 29.99 31.18 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 -1.19 2.02 0.00 -0.41 6.02 -0.08 -4.99 117.38 118.74 1d0i n GLN 112 Ca 0.14 -1.86 0.00 0.00 -0.01 0.00 0.00 57.00 55.27 1d0i n GLN 112 Cb 0.15 -1.41 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 1.20 3.97 -1.91 -1.09 1.74 -1.11 -5.06 116.66 114.40 1d0i n ARG 113 Ca 0.14 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.84 1d0i n ARG 113 Cb 0.53 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.00 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 3.39 3.17 0.51 5.56 8.01 -1.26 -4.87 118.70 133.21 1d0i s GLU 114 Ca 0.00 2.05 0.22 0.00 0.01 0.00 0.00 54.97 57.25 1d0i s GLU 114 Cb 0.00 -2.19 1.30 0.00 -4.31 0.00 0.00 34.13 28.93 1d0i s GLU 114 CO 0.00 -1.11 2.01 -1.35 0.01 0.00 0.00 175.26 174.82 1d0i h PRO 115 N 1.38 0.09 0.00 0.39 0.11 -1.97 -0.19 132.00 131.81 1d0i h PRO 115 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1d0i h PRO 115 Cb 1.29 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1d0i h PRO 115 CO 0.57 0.06 0.00 0.27 -0.21 0.00 0.00 178.00 178.69 1d0i h PHE 116 N 0.09 0.00 0.00 0.65 -5.15 -1.97 -1.60 116.94 108.96 1d0i h PHE 116 Ca 0.23 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.00 1d0i h PHE 116 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.95 1d0i h PHE 116 CO -0.00 0.00 -0.18 0.54 -2.00 0.00 0.00 178.31 176.67 1d0i n ARG 117 N -2.86 0.04 0.18 6.09 1.74 -0.08 -4.07 116.66 117.71 1d0i n ARG 117 Ca 0.00 0.03 0.03 0.00 -0.77 0.00 0.00 57.85 57.14 1d0i n ARG 117 Cb 0.25 -1.54 0.35 0.00 -1.02 0.00 0.00 32.46 30.50 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 0.00 0.00 -3.30 -1.55 3.86 -1.36 -3.43 115.15 109.37 1d0i h HIS 118 Ca 0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 1d0i h HIS 118 Cb 0.54 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.90 1d0i h HIS 118 CO 0.00 0.39 -0.35 -1.58 0.86 0.00 0.00 177.93 177.25 1d0i s HIS 119 N -4.07 3.45 -0.10 2.45 5.65 -1.26 -4.91 115.29 116.49 1d0i s HIS 119 Ca -0.02 0.55 0.02 0.00 0.25 0.00 0.00 55.06 55.86 1d0i s HIS 119 Cb 0.14 -2.32 0.01 0.00 -1.18 0.00 0.00 32.58 29.22 1d0i s HIS 119 CO 0.72 0.23 -0.18 0.45 -0.65 0.00 0.00 174.74 175.31 1d0i s SER 120 N 0.50 2.56 0.35 9.88 0.15 -1.26 -4.15 113.70 121.72 1d0i s SER 120 Ca 0.15 -0.46 0.13 0.00 0.70 0.00 0.00 55.95 56.48 1d0i s SER 120 Cb -0.13 -1.16 0.63 0.00 -1.71 0.00 0.00 66.02 63.65 1d0i s SER 120 CO 0.03 0.06 1.75 1.88 1.20 0.00 0.00 173.24 178.17 1d0i h TYR 121 N 7.16 0.00 -0.02 3.44 0.05 -1.04 -2.95 116.97 123.61 1d0i h TYR 121 Ca -0.28 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.43 1d0i h TYR 121 Cb 1.19 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.92 1d0i h TYR 121 CO 0.48 0.44 -0.29 0.28 -1.05 0.00 0.00 178.16 178.02 1d0i h VAL 122 N 0.00 1.22 -0.02 -2.88 2.07 -1.87 -2.84 116.25 111.93 1d0i h VAL 122 Ca -0.00 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.48 1d0i h VAL 122 Cb 0.82 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1d0i h VAL 122 CO 0.06 0.30 0.02 0.28 0.02 0.00 0.00 177.57 178.25 1d0i h SER 123 N 0.03 0.00 1.16 0.57 0.02 -1.88 0.14 113.55 113.59 1d0i h SER 123 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1d0i h SER 123 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1d0i h SER 123 CO 0.04 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.73 1d0i n GLN 124 N -4.13 0.23 -0.09 3.45 10.64 -1.07 -3.69 117.38 122.71 1d0i n GLN 124 Ca -0.03 0.29 -0.11 0.00 -1.83 0.00 0.00 57.00 55.33 1d0i n GLN 124 Cb 0.11 -1.82 -0.11 0.00 -0.86 0.00 0.00 30.24 27.55 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 -2.23 0.93 -1.65 2.61 3.00 -0.59 -5.01 116.66 113.72 1d0i n ARG 125 Ca 0.04 0.06 -0.42 0.00 -0.00 0.00 0.00 57.85 57.53 1d0i n ARG 125 Cb 0.35 -1.42 0.01 0.00 0.00 0.00 0.00 32.46 31.40 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 -2.86 0.61 0.06 5.13 0.00 -0.07 -4.89 120.51 118.50 1d0i n ALA 126 Ca -0.32 0.27 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 1d0i n ALA 126 Cb 0.96 -2.15 -0.08 0.00 0.00 0.00 0.00 19.45 18.17 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 1.87 -0.11 -4.60 0.00 3.32 -1.24 -3.46 116.42 112.22 1d0i h ASP 127 Ca -0.45 -0.22 -0.30 0.00 0.02 0.00 0.00 57.03 56.08 1d0i h ASP 127 Cb 1.32 0.03 -0.19 0.00 0.22 0.00 0.00 39.33 40.70 1d0i h ASP 127 CO 0.59 0.17 -0.73 -0.83 -1.72 0.00 0.00 179.24 176.71 1d0i s GLY 128 N -2.68 0.69 -0.07 2.75 0.00 -1.24 -5.07 107.32 101.71 1d0i s GLY 128 Ca -0.15 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.56 1d0i s GLY 128 CO 0.64 -1.07 -0.01 0.14 0.00 0.00 0.00 173.10 172.80 1d0i s VAL 129 N -2.01 0.43 -0.15 1.40 1.01 -1.26 -0.97 120.40 118.84 1d0i s VAL 129 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1d0i s VAL 129 Cb -0.06 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 1d0i s VAL 129 CO -0.00 0.26 -0.15 -0.69 0.00 0.00 0.00 175.10 174.52 1d0i s VAL 130 N 1.79 2.71 0.01 2.92 1.01 -0.29 -4.98 120.40 123.57 1d0i s VAL 130 Ca 0.02 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1d0i s VAL 130 Cb -0.13 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1d0i s VAL 130 CO -0.05 0.51 -0.03 0.00 0.00 0.00 0.00 175.10 175.54 1d0i s ALA 131 N 0.77 0.24 -1.07 5.51 0.00 -1.26 -0.04 121.76 125.90 1d0i s ALA 131 Ca -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1d0i s ALA 131 Cb -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.96 1d0i s ALA 131 CO 0.01 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1d0i n GLY 132 N 2.62 1.08 1.82 0.00 0.00 -0.67 -4.79 105.19 105.26 1d0i n GLY 132 Ca -0.15 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.38 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 0.50 0.93 0.30 0.00 0.00 -1.08 -3.09 105.19 102.75 1d0i n GLY 134 Ca 0.28 -0.75 0.18 0.00 0.00 0.00 0.00 46.02 45.72 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 0.30 0.00 1.61 -1.51 -1.89 -2.01 116.25 112.75 1d0i h VAL 135 Ca 0.00 -0.15 -0.01 0.00 -1.23 0.00 0.00 66.70 65.32 1d0i h VAL 135 Cb 0.00 1.11 -0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1d0i h VAL 135 CO 0.00 0.02 -0.02 -0.61 -1.23 0.00 0.00 177.57 175.73 1d0i h GLN 136 N 0.00 0.00 -0.89 5.19 4.15 -1.97 -0.79 115.11 120.80 1d0i h GLN 136 Ca -0.00 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.55 1d0i h GLN 136 Cb 0.11 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.73 1d0i h GLN 136 CO 0.00 0.02 0.58 0.78 -1.93 0.00 0.00 178.83 178.28 1d0i h GLY 137 N 0.21 1.25 1.42 2.39 0.00 -1.29 -0.24 103.07 106.80 1d0i h GLY 137 Ca -0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 1d0i h GLY 137 CO 0.00 0.12 0.15 -0.97 0.00 0.00 0.00 176.54 175.84 1d0i h TYR 138 N 0.75 0.75 -0.46 5.60 -1.99 -1.34 0.03 116.97 120.32 1d0i h TYR 138 Ca 0.44 -0.05 -0.05 0.00 2.00 0.00 0.00 58.73 61.06 1d0i h TYR 138 Cb 0.63 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 1d0i h TYR 138 CO -0.00 0.62 0.08 0.28 -0.00 0.00 0.00 178.16 179.13 1d0i h VAL 139 N 0.73 1.25 -0.77 -2.88 2.07 -1.19 -1.21 116.25 114.23 1d0i h VAL 139 Ca 0.17 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 1d0i h VAL 139 Cb 0.22 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1d0i h VAL 139 CO -0.01 0.32 0.29 -0.26 0.02 0.00 0.00 177.57 177.93 1d0i h PHE 140 N 0.63 1.20 -0.11 1.57 0.04 -0.77 -1.22 116.94 118.29 1d0i h PHE 140 Ca 0.14 -0.10 0.02 0.00 2.80 0.00 0.00 57.97 60.83 1d0i h PHE 140 Cb 0.39 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 1d0i h PHE 140 CO 0.03 0.92 -0.01 0.78 -0.60 0.00 0.00 178.31 179.43 1d0i h GLY 141 N 1.13 0.09 0.90 -1.45 0.00 -0.62 0.61 103.07 103.73 1d0i h GLY 141 Ca 0.26 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.62 1d0i h GLY 141 CO -0.02 -0.02 0.14 -2.08 0.00 0.00 0.00 176.54 174.56 1d0i h VAL 142 N 0.03 1.00 -1.00 4.60 2.07 -0.88 -0.99 116.25 121.08 1d0i h VAL 142 Ca 0.05 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.52 1d0i h VAL 142 Cb 0.06 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1d0i h VAL 142 CO -0.09 0.05 0.65 -0.33 0.02 0.00 0.00 177.57 177.87 1d0i h GLU 143 N 0.29 1.17 -0.14 1.57 5.08 -0.88 0.18 114.58 121.85 1d0i h GLU 143 Ca 0.11 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1d0i h GLU 143 Cb 0.02 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 1d0i h GLU 143 CO -0.07 0.77 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.59 1d0i h ARG 144 N 1.20 0.28 -0.81 2.33 2.43 -0.57 -1.59 114.38 117.65 1d0i h ARG 144 Ca 0.42 -0.11 0.08 0.00 -0.81 0.00 0.00 59.98 59.56 1d0i h ARG 144 Cb 0.11 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.58 1d0i h ARG 144 CO -0.16 0.56 0.48 0.82 -1.51 0.00 0.00 179.97 180.17 1d0i h ILE 145 N -0.03 0.96 -0.65 1.20 1.08 -0.79 0.37 117.51 119.64 1d0i h ILE 145 Ca 0.04 -0.29 0.03 0.00 -0.39 0.00 0.00 64.86 64.25 1d0i h ILE 145 Cb 0.46 0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.22 1d0i h ILE 145 CO 0.01 0.15 0.40 0.00 -0.69 0.00 0.00 178.15 178.03 1d0i h ALA 146 N 1.42 0.85 -0.67 1.87 0.00 -0.88 0.69 119.26 122.54 1d0i h ALA 146 Ca 0.37 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 1d0i h ALA 146 Cb 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1d0i h ALA 146 CO -0.21 0.15 0.13 0.00 0.00 0.00 0.00 179.25 179.31 1d0i h ALA 147 N 1.29 0.89 0.00 0.00 0.00 -0.23 -2.47 119.26 118.75 1d0i h ALA 147 Ca 0.27 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1d0i h ALA 147 Cb 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1d0i h ALA 147 CO -0.11 0.65 -0.97 -0.07 0.00 0.00 0.00 179.25 178.74 1d0i h LEU 148 N 1.03 0.02 -0.13 0.00 3.38 -0.27 -3.13 115.31 116.20 1d0i h LEU 148 Ca 0.21 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1d0i h LEU 148 Cb 0.42 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1d0i h LEU 148 CO 0.01 0.98 -0.05 0.00 0.09 0.00 0.00 178.44 179.46 1d0i h ALA 149 N 1.02 0.19 0.00 1.53 0.00 0.37 -3.08 119.26 119.29 1d0i h ALA 149 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1d0i h ALA 149 Cb 1.71 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1d0i h ALA 149 CO 0.13 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1d0i n GLY 150 N -0.04 -0.42 0.00 0.00 0.00 -0.94 -4.87 105.19 98.93 1d0i n GLY 150 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1d0i n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32