#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ca9 n SER 9 N 0.00 0.00 -4.68 -2.24 2.88 -1.26 -5.17 113.62 103.15 2ca9 n SER 9 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 2ca9 n SER 9 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2ca9 n SER 9 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2ca9 s ILE 10 N -2.00 5.15 0.07 2.46 1.09 -1.26 -5.07 121.20 121.64 2ca9 s ILE 10 Ca 0.00 0.92 0.06 0.00 -1.10 0.00 0.00 60.65 60.53 2ca9 s ILE 10 Cb 0.00 -3.82 -0.04 0.00 -1.06 0.00 0.00 42.46 37.54 2ca9 s ILE 10 CO 0.00 0.24 -0.11 -0.63 -0.10 0.00 0.00 174.94 174.34 2ca9 s ILE 11 N 1.24 3.32 -0.18 2.92 1.09 -1.26 -5.12 121.20 123.21 2ca9 s ILE 11 Ca 0.24 -1.13 -0.03 0.00 -1.10 0.00 0.00 60.65 58.63 2ca9 s ILE 11 Cb -0.15 -2.50 -0.02 0.00 -1.06 0.00 0.00 42.46 38.73 2ca9 s ILE 11 CO 0.10 0.23 -0.05 -0.60 -0.10 0.00 0.00 174.94 174.51 2ca9 s ARG 12 N -1.86 3.49 0.20 2.79 6.06 -1.26 -5.11 118.95 123.27 2ca9 s ARG 12 Ca 0.19 -0.59 0.02 0.00 -2.50 0.00 0.00 55.73 52.85 2ca9 s ARG 12 Cb -0.11 -2.92 -0.05 0.00 0.06 0.00 0.00 34.95 31.93 2ca9 s ARG 12 CO 0.10 0.03 0.02 -0.59 -2.50 0.00 0.00 175.30 172.36 2ca9 s PHE 13 N 0.88 1.37 0.09 5.12 -0.12 -1.26 -5.16 117.98 118.89 2ca9 s PHE 13 Ca -0.01 -1.02 0.02 0.00 -0.05 0.00 0.00 56.93 55.87 2ca9 s PHE 13 Cb -0.15 -0.78 -0.04 0.00 -0.63 0.00 0.00 43.02 41.42 2ca9 s PHE 13 CO 0.01 -0.18 0.14 0.45 -0.05 0.00 0.00 175.22 175.58 2ca9 s SER 14 N -3.23 5.83 -0.01 1.98 0.15 -1.26 -5.11 113.70 112.04 2ca9 s SER 14 Ca 0.28 0.07 0.01 0.00 0.70 0.00 0.00 55.95 57.01 2ca9 s SER 14 Cb 0.06 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 2ca9 s SER 14 CO 0.07 0.15 -0.02 -0.69 1.20 0.00 0.00 173.24 173.96 2ca9 s VAL 15 N -1.48 0.18 -0.11 4.45 1.01 -1.26 -5.16 120.40 118.04 2ca9 s VAL 15 Ca 0.31 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.26 2ca9 s VAL 15 Cb -0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 2ca9 s VAL 15 CO 0.24 0.07 -0.20 -0.44 0.00 0.00 0.00 175.10 174.78 2ca9 s SER 16 N 0.19 3.42 0.05 3.32 0.01 -1.26 -5.12 113.70 114.32 2ca9 s SER 16 Ca -0.02 -0.47 0.07 0.00 1.31 0.00 0.00 55.95 56.84 2ca9 s SER 16 Cb -0.04 -1.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.69 2ca9 s SER 16 CO -0.01 0.16 -0.19 -0.76 0.41 0.00 0.00 173.24 172.86 2ca9 s LEU 17 N 0.33 2.19 0.66 2.44 1.43 -1.26 -5.13 118.68 119.34 2ca9 s LEU 17 Ca -0.16 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.26 2ca9 s LEU 17 Cb -0.17 -0.86 -0.00 0.00 0.03 0.00 0.00 46.19 45.19 2ca9 s LEU 17 CO 0.08 0.11 1.13 -1.10 0.23 0.00 0.00 176.35 176.80 2ca9 s GLN 18 N -1.28 2.76 0.27 1.70 1.11 -1.26 -4.77 119.66 118.20 2ca9 s GLN 18 Ca 0.06 1.48 -0.02 0.00 0.01 0.00 0.00 55.36 56.89 2ca9 s GLN 18 Cb -0.09 -1.94 0.61 0.00 -1.01 0.00 0.00 33.01 30.58 2ca9 s GLN 18 CO 0.02 -1.29 1.63 0.37 0.01 0.00 0.00 175.29 176.02 2ca9 h GLN 19 N 0.13 0.12 -0.32 2.91 5.75 -2.00 -1.20 115.11 120.50 2ca9 h GLN 19 Ca -0.47 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.03 2ca9 h GLN 19 Cb 1.26 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.76 2ca9 h GLN 19 CO 0.54 0.08 0.20 -2.95 -2.65 0.00 0.00 178.83 174.05 2ca9 h ASN 20 N 0.12 0.35 -0.55 -0.69 -1.07 -1.99 0.17 115.58 111.92 2ca9 h ASN 20 Ca 0.50 -0.01 -0.09 0.00 0.07 0.00 0.00 56.30 56.78 2ca9 h ASN 20 Cb 0.98 -0.08 -0.02 0.00 -2.07 0.00 0.00 38.32 37.12 2ca9 h ASN 20 CO -0.72 0.25 0.01 -0.07 0.07 0.00 0.00 177.43 176.98 2ca9 h LEU 21 N 0.42 0.97 -0.43 6.14 4.07 -1.75 -2.84 115.31 121.88 2ca9 h LEU 21 Ca 0.12 -0.26 -0.08 0.00 0.08 0.00 0.00 57.88 57.74 2ca9 h LEU 21 Cb -0.04 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.43 2ca9 h LEU 21 CO -0.03 1.02 -0.04 0.25 -1.08 0.00 0.00 178.44 178.55 2ca9 h LEU 22 N 0.91 0.79 -0.86 1.67 5.85 -0.60 -0.65 115.31 122.41 2ca9 h LEU 22 Ca 0.17 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.61 2ca9 h LEU 22 Cb 0.52 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 2ca9 h LEU 22 CO 0.03 0.93 0.54 0.44 -0.34 0.00 0.00 178.44 180.04 2ca9 h ASP 23 N 0.63 0.87 -0.26 1.25 3.32 -0.71 -1.19 116.42 120.32 2ca9 h ASP 23 Ca 0.12 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.98 2ca9 h ASP 23 Cb 0.55 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2ca9 h ASP 23 CO 0.03 0.57 -0.58 -0.08 -1.72 0.00 0.00 179.24 177.46 2ca9 h GLU 24 N 1.01 0.87 -0.34 3.56 4.57 -1.22 -1.98 114.58 121.05 2ca9 h GLU 24 Ca 0.36 -0.57 0.07 0.00 -1.18 0.00 0.00 59.36 58.05 2ca9 h GLU 24 Cb 0.11 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.70 2ca9 h GLU 24 CO -0.15 1.20 -0.12 1.25 -1.18 0.00 0.00 179.01 180.01 2ca9 h LEU 25 N 0.65 -0.42 -0.73 1.64 5.85 -0.76 -0.98 115.31 120.58 2ca9 h LEU 25 Ca 0.01 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 2ca9 h LEU 25 Cb 1.19 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 2ca9 h LEU 25 CO 0.13 -0.15 -0.11 0.44 -0.34 0.00 0.00 178.44 178.41 2ca9 h ASP 26 N -0.05 0.85 -0.60 1.25 3.32 -1.14 -0.14 116.42 119.91 2ca9 h ASP 26 Ca 0.17 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 2ca9 h ASP 26 Cb 0.30 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2ca9 h ASP 26 CO -0.38 0.98 0.19 0.78 -1.72 0.00 0.00 179.24 179.09 2ca9 h ASN 27 N 0.77 0.90 -0.32 6.45 2.35 -1.00 -2.44 115.58 122.30 2ca9 h ASN 27 Ca 0.13 -0.16 -0.17 0.00 -0.55 0.00 0.00 56.30 55.55 2ca9 h ASN 27 Cb 0.62 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 2ca9 h ASN 27 CO 0.04 0.85 -0.45 -0.09 -1.65 0.00 0.00 177.43 176.14 2ca9 h ARG 28 N 0.94 0.87 -0.35 0.81 9.65 -0.44 0.94 114.38 126.80 2ca9 h ARG 28 Ca 0.21 -0.51 0.07 0.00 -1.10 0.00 0.00 59.98 58.65 2ca9 h ARG 28 Cb 0.28 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.84 2ca9 h ARG 28 CO -0.01 1.15 -0.02 0.82 2.80 0.00 0.00 179.97 184.71 2ca9 h ILE 29 N 0.66 0.71 -0.16 1.20 2.04 -0.99 0.11 117.51 121.08 2ca9 h ILE 29 Ca 0.03 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 2ca9 h ILE 29 Cb 1.05 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2ca9 h ILE 29 CO 0.10 0.01 -0.03 0.40 0.00 0.00 0.00 178.15 178.64 2ca9 h ILE 30 N 0.07 1.28 -1.00 -0.67 2.04 -1.26 -0.65 117.51 117.32 2ca9 h ILE 30 Ca 0.17 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.09 2ca9 h ILE 30 Cb 0.24 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 2ca9 h ILE 30 CO -0.31 0.28 0.66 0.11 0.00 0.00 0.00 178.15 178.90 2ca9 h LYS 31 N 0.02 1.29 -0.21 2.37 1.57 -0.62 -3.16 116.57 117.83 2ca9 h LYS 31 Ca 0.04 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2ca9 h LYS 31 Cb 0.44 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2ca9 h LYS 31 CO 0.01 0.85 0.00 0.09 -0.57 0.00 0.00 179.45 179.84 2ca9 n ASN 32 N -4.40 3.23 0.00 0.86 4.13 0.38 -4.96 115.26 114.51 2ca9 n ASN 32 Ca 0.12 -1.99 0.00 0.00 1.68 0.00 0.00 54.58 54.39 2ca9 n ASN 32 Cb 0.04 -0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 2ca9 n ASN 32 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ca9 n GLY 33 N 1.43 0.50 3.82 7.41 0.00 -0.86 -5.05 105.19 112.44 2ca9 n GLY 33 Ca 0.17 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 2ca9 n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ca9 s TYR 34 N -2.00 3.07 -0.53 1.61 1.51 -0.31 -5.00 117.35 115.70 2ca9 s TYR 34 Ca 0.00 1.38 0.17 0.00 -1.01 0.00 0.00 57.07 57.61 2ca9 s TYR 34 Cb 0.00 -2.92 -0.22 0.00 -0.11 0.00 0.00 41.96 38.71 2ca9 s TYR 34 CO 0.00 -1.32 0.61 0.43 -1.11 0.00 0.00 175.55 174.16 2ca9 n SER 35 N -3.18 0.85 -3.61 2.29 7.64 -1.26 -4.66 113.62 111.69 2ca9 n SER 35 Ca 0.07 -0.58 -0.09 0.00 1.01 0.00 0.00 58.87 59.28 2ca9 n SER 35 Cb 0.54 1.29 -0.02 0.00 -1.01 0.00 0.00 64.21 65.01 2ca9 n SER 35 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ca9 s SER 36 N -3.14 -0.39 0.20 6.43 1.04 -1.26 -5.01 113.70 111.56 2ca9 s SER 36 Ca 0.02 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.10 2ca9 s SER 36 Cb 0.12 0.59 0.18 0.00 0.10 0.00 0.00 66.02 67.02 2ca9 s SER 36 CO 0.72 -1.02 1.83 0.03 0.98 0.00 0.00 173.24 175.78 2ca9 h ARG 37 N 2.00 0.72 -0.37 4.02 3.08 -1.96 -2.57 114.38 119.30 2ca9 h ARG 37 Ca -0.26 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.75 2ca9 h ARG 37 Cb 1.27 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 2ca9 h ARG 37 CO 0.31 0.48 0.23 1.03 -1.07 0.00 0.00 179.97 180.94 2ca9 h SER 38 N 0.74 0.39 0.16 7.04 0.87 -1.98 0.48 113.55 121.25 2ca9 h SER 38 Ca 0.27 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 2ca9 h SER 38 Cb 0.07 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2ca9 h SER 38 CO -0.13 0.28 -0.08 -0.08 -0.53 0.00 0.00 176.83 176.30 2ca9 h GLU 39 N 0.47 -0.21 -0.14 2.24 4.81 -1.93 -0.02 114.58 119.80 2ca9 h GLU 39 Ca 0.14 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2ca9 h GLU 39 Cb -0.03 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2ca9 h GLU 39 CO -0.05 -0.14 0.06 1.25 -0.73 0.00 0.00 179.01 179.41 2ca9 h LEU 40 N -0.22 0.19 -0.77 1.64 5.85 -1.29 -1.34 115.31 119.37 2ca9 h LEU 40 Ca -0.02 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2ca9 h LEU 40 Cb 0.17 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2ca9 h LEU 40 CO 0.04 0.28 0.43 0.58 -0.34 0.00 0.00 178.44 179.42 2ca9 h VAL 41 N 0.09 1.23 -0.60 1.05 2.07 -0.88 0.14 116.25 119.36 2ca9 h VAL 41 Ca 0.05 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.04 2ca9 h VAL 41 Cb 0.14 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 2ca9 h VAL 41 CO -0.01 0.25 0.35 -0.09 0.02 0.00 0.00 177.57 178.10 2ca9 h ARG 42 N 1.06 0.66 -0.45 1.57 2.43 -0.90 -0.75 114.38 118.01 2ca9 h ARG 42 Ca 0.27 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.28 2ca9 h ARG 42 Cb 0.02 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2ca9 h ARG 42 CO -0.04 0.44 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.21 2ca9 h ASP 43 N 0.68 0.92 0.12 -3.80 5.19 -0.26 -2.01 116.42 117.26 2ca9 h ASP 43 Ca 0.25 -0.33 0.01 0.00 -0.62 0.00 0.00 57.03 56.33 2ca9 h ASP 43 Cb 0.07 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.31 2ca9 h ASP 43 CO -0.13 1.09 -0.16 0.24 -3.12 0.00 0.00 179.24 177.16 2ca9 h MET 44 N 0.78 -0.32 -0.31 3.56 2.86 -0.29 -1.84 114.93 119.38 2ca9 h MET 44 Ca 0.11 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.84 2ca9 h MET 44 Cb 0.75 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.41 2ca9 h MET 44 CO 0.06 -0.21 -0.25 0.82 1.06 0.00 0.00 176.91 178.38 2ca9 h ILE 45 N -0.33 0.36 -0.38 -1.22 2.04 -1.08 0.12 117.51 117.01 2ca9 h ILE 45 Ca 0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.95 2ca9 h ILE 45 Cb 0.34 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.71 2ca9 h ILE 45 CO -0.07 0.00 -0.04 0.03 0.00 0.00 0.00 178.15 178.07 2ca9 h ARG 46 N -0.23 0.05 -0.25 2.37 3.08 -1.29 0.87 114.38 118.99 2ca9 h ARG 46 Ca 0.16 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2ca9 h ARG 46 Cb 0.47 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2ca9 h ARG 46 CO -0.44 0.03 0.12 1.49 -1.07 0.00 0.00 179.97 180.11 2ca9 h GLU 47 N 0.05 0.35 0.00 0.04 4.81 -1.02 -3.04 114.58 115.78 2ca9 h GLU 47 Ca 0.18 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2ca9 h GLU 47 Cb 0.27 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2ca9 h GLU 47 CO -0.35 0.34 -0.01 0.87 -0.73 0.00 0.00 179.01 179.13 2ca9 h LYS 48 N 0.27 0.00 0.00 1.92 1.57 -0.34 -2.15 116.57 117.85 2ca9 h LYS 48 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2ca9 h LYS 48 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2ca9 h LYS 48 CO -0.01 0.01 -0.04 -0.07 -0.57 0.00 0.00 179.45 178.77 2ca9 h LEU 49 N 0.00 0.00 -6.26 2.94 3.38 -0.72 -3.50 115.31 111.14 2ca9 h LEU 49 Ca -0.00 0.00 -0.77 0.00 0.09 0.00 0.00 57.88 57.20 2ca9 h LEU 49 Cb 0.73 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.31 2ca9 h LEU 49 CO 0.00 0.04 1.87 0.52 0.09 0.00 0.00 178.44 180.96 2ca9 n VAL 50 N -3.13 4.92 -3.15 1.22 0.31 -0.81 -5.11 118.33 112.58 2ca9 n VAL 50 Ca 0.02 -4.75 0.04 0.00 -0.01 0.00 0.00 64.34 59.64 2ca9 n VAL 50 Cb 0.40 -2.16 -0.00 0.00 -0.91 0.00 0.00 33.84 31.16 2ca9 n VAL 50 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2ca9 s ASN 58 N 0.09 -1.32 0.35 4.52 -0.87 -1.26 -5.15 114.94 111.31 2ca9 s ASN 58 Ca 0.42 0.20 -0.28 0.00 -1.57 0.00 0.00 52.86 51.63 2ca9 s ASN 58 Cb 0.12 1.86 -0.11 0.00 -0.02 0.00 0.00 41.25 43.10 2ca9 s ASN 58 CO -0.02 -0.24 1.42 -2.16 -2.57 0.00 0.00 177.10 173.53 2ca9 s PRO 59 N 2.86 4.21 0.30 -0.60 0.04 -1.26 -5.01 135.00 135.55 2ca9 s PRO 59 Ca 0.14 2.42 0.02 0.00 0.04 0.00 0.00 61.00 63.63 2ca9 s PRO 59 Cb -0.08 -3.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.42 2ca9 s PRO 59 CO -0.25 -0.39 0.30 0.54 0.04 0.00 0.00 177.00 177.24 2ca9 s ASN 60 N -0.24 1.10 0.00 6.66 2.20 -1.26 -4.98 114.94 118.42 2ca9 s ASN 60 Ca 0.52 -1.58 0.29 0.00 -0.94 0.00 0.00 52.86 51.15 2ca9 s ASN 60 Cb -0.44 0.55 1.27 0.00 -2.00 0.00 0.00 41.25 40.63 2ca9 s ASN 60 CO 0.58 -1.08 1.89 0.47 -2.94 0.00 0.00 177.10 176.02 2ca9 n ASP 61 N -1.20 0.39 -4.73 3.54 9.92 -1.26 -2.37 116.55 120.84 2ca9 n ASP 61 Ca 0.04 -0.49 -0.42 0.00 -0.53 0.00 0.00 54.79 53.40 2ca9 n ASP 61 Cb 0.63 -0.11 -0.03 0.00 -0.64 0.00 0.00 41.12 40.97 2ca9 n ASP 61 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2ca9 s GLU 62 N -2.50 4.29 0.21 -1.24 2.02 -1.26 -4.71 118.70 115.51 2ca9 s GLU 62 Ca 0.28 2.20 -0.31 0.00 0.02 0.00 0.00 54.97 57.16 2ca9 s GLU 62 Cb 0.20 -3.18 -0.11 0.00 0.10 0.00 0.00 34.13 31.14 2ca9 s GLU 62 CO 0.48 -0.45 1.63 0.45 0.02 0.00 0.00 175.26 177.39 2ca9 s SER 63 N 0.82 6.47 0.05 -0.19 0.15 -1.26 -4.25 113.70 115.49 2ca9 s SER 63 Ca 0.64 2.79 0.03 0.00 0.70 0.00 0.00 55.95 60.11 2ca9 s SER 63 Cb -0.40 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 61.28 2ca9 s SER 63 CO 0.35 -0.89 -0.10 -0.54 1.20 0.00 0.00 173.24 173.25 2ca9 s LYS 64 N 0.73 0.66 0.15 5.44 1.02 0.12 -4.88 119.74 122.98 2ca9 s LYS 64 Ca 0.70 -0.80 -0.13 0.00 0.02 0.00 0.00 55.97 55.75 2ca9 s LYS 64 Cb -0.47 -0.54 -0.07 0.00 -0.52 0.00 0.00 37.83 36.23 2ca9 s LYS 64 CO 0.36 0.11 0.53 -1.50 -0.92 0.00 0.00 175.35 173.93 2ca9 s ILE 65 N -1.25 4.89 0.13 2.17 2.07 -1.22 -1.14 121.20 126.86 2ca9 s ILE 65 Ca -0.06 0.73 -0.09 0.00 -1.41 0.00 0.00 60.65 59.82 2ca9 s ILE 65 Cb -0.09 -3.71 -0.00 0.00 0.13 0.00 0.00 42.46 38.78 2ca9 s ILE 65 CO 0.01 0.20 0.25 0.00 -1.91 0.00 0.00 174.94 173.50 2ca9 s ALA 66 N -1.51 -0.13 -0.06 1.50 0.00 -0.10 -1.79 121.76 119.67 2ca9 s ALA 66 Ca 0.39 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.63 2ca9 s ALA 66 Cb -0.14 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.70 2ca9 s ALA 66 CO 0.19 -0.60 -0.13 0.08 0.00 0.00 0.00 175.76 175.31 2ca9 s VAL 67 N -3.92 1.14 -0.18 0.00 1.01 0.49 -1.50 120.40 117.44 2ca9 s VAL 67 Ca 0.12 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2ca9 s VAL 67 Cb 0.04 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 2ca9 s VAL 67 CO -0.05 0.35 -0.09 -0.22 0.00 0.00 0.00 175.10 175.09 2ca9 s LEU 68 N 0.47 2.79 -0.25 3.92 2.96 0.74 -0.27 118.68 129.04 2ca9 s LEU 68 Ca -0.11 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 2ca9 s LEU 68 Cb -0.14 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2ca9 s LEU 68 CO 0.03 0.07 0.15 -0.69 -1.32 0.00 0.00 176.35 174.59 2ca9 s VAL 69 N 0.92 5.06 -0.08 1.68 1.01 -0.43 -0.53 120.40 128.03 2ca9 s VAL 69 Ca -0.02 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.09 2ca9 s VAL 69 Cb -0.15 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2ca9 s VAL 69 CO -0.00 0.31 -0.23 -0.69 0.00 0.00 0.00 175.10 174.49 2ca9 s VAL 70 N 1.44 2.17 -0.10 2.92 1.01 0.57 -0.47 120.40 127.94 2ca9 s VAL 70 Ca 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2ca9 s VAL 70 Cb -0.15 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 2ca9 s VAL 70 CO 0.07 0.56 -0.10 -0.63 0.00 0.00 0.00 175.10 175.01 2ca9 s ILE 71 N 0.10 3.42 0.10 2.22 1.01 -0.78 -0.36 121.20 126.91 2ca9 s ILE 71 Ca -0.11 -0.56 -0.11 0.00 0.00 0.00 0.00 60.65 59.88 2ca9 s ILE 71 Cb -0.16 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 39.90 2ca9 s ILE 71 CO 0.06 0.56 0.24 -0.72 0.00 0.00 0.00 174.94 175.08 2ca9 s TYR 72 N -0.24 0.07 -0.26 3.97 -0.85 -0.48 -0.05 117.35 119.51 2ca9 s TYR 72 Ca 0.02 -0.47 -0.29 0.00 -0.52 0.00 0.00 57.07 55.81 2ca9 s TYR 72 Cb -0.13 0.02 -0.01 0.00 0.38 0.00 0.00 41.96 42.22 2ca9 s TYR 72 CO 0.03 -0.59 1.41 0.34 -1.52 0.00 0.00 175.55 175.22 2ca9 s ASP 73 N -2.85 6.59 0.00 -0.18 -1.08 -0.13 -0.33 116.67 118.69 2ca9 s ASP 73 Ca 0.05 1.39 0.26 0.00 -0.52 0.00 0.00 52.55 53.73 2ca9 s ASP 73 Cb 0.04 -2.54 1.34 0.00 -1.46 0.00 0.00 42.92 40.31 2ca9 s ASP 73 CO -0.11 -1.12 1.87 0.00 0.52 0.00 0.00 175.17 176.33 2ca9 n HIS 74 N 7.84 0.00 0.16 -5.34 1.44 -0.88 -2.52 115.22 115.92 2ca9 n HIS 74 Ca 0.16 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.99 2ca9 n HIS 74 Cb 0.46 -0.22 0.23 0.00 0.12 0.00 0.00 29.99 30.58 2ca9 n HIS 74 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2ca9 n HIS 75 N -1.22 0.58 -2.64 -1.40 8.25 -1.26 -4.88 115.22 112.65 2ca9 n HIS 75 Ca 0.14 -0.30 -0.43 0.00 -0.26 0.00 0.00 57.72 56.87 2ca9 n HIS 75 Cb 0.18 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 2ca9 n HIS 75 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2ca9 s GLN 76 N -1.36 3.59 0.42 -0.41 2.00 -1.05 -5.00 119.66 117.84 2ca9 s GLN 76 Ca 0.40 0.32 -0.25 0.00 -2.00 0.00 0.00 55.36 53.82 2ca9 s GLN 76 Cb 0.23 -3.96 -0.08 0.00 0.80 0.00 0.00 33.01 29.99 2ca9 s GLN 76 CO 0.31 -1.49 1.29 1.03 -0.50 0.00 0.00 175.29 175.93 2ca9 s ARG 77 N 4.52 3.88 0.00 1.67 0.52 -1.26 -2.81 118.95 125.47 2ca9 s ARG 77 Ca 0.43 2.12 0.00 0.00 -0.52 0.00 0.00 55.73 57.76 2ca9 s ARG 77 Cb -0.08 -2.68 0.00 0.00 0.52 0.00 0.00 34.95 32.71 2ca9 s ARG 77 CO 0.28 -0.55 0.00 0.39 0.02 0.00 0.00 175.30 175.43 2ca9 n GLU 78 N -0.03 0.00 -0.08 3.54 -0.58 -1.26 -4.87 120.64 117.36 2ca9 n GLU 78 Ca 0.05 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.72 2ca9 n GLU 78 Cb 0.44 -3.82 -0.01 0.00 -0.57 0.00 0.00 31.44 27.49 2ca9 n GLU 78 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2ca9 h LEU 79 N 0.00 -0.27 -0.79 -4.62 5.85 -1.89 -0.90 115.31 112.69 2ca9 h LEU 79 Ca 0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2ca9 h LEU 79 Cb 0.00 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2ca9 h LEU 79 CO 0.00 -0.09 0.37 0.78 -0.34 0.00 0.00 178.44 179.15 2ca9 h ASN 80 N 0.00 1.05 -0.51 1.25 2.35 -1.90 -0.94 115.58 116.89 2ca9 h ASN 80 Ca 0.14 -0.14 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 2ca9 h ASN 80 Cb 0.21 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.26 2ca9 h ASN 80 CO -0.30 0.90 0.22 -0.61 -1.65 0.00 0.00 177.43 175.99 2ca9 h GLN 81 N 1.13 0.41 -0.54 0.81 5.75 -1.82 -0.96 115.11 119.89 2ca9 h GLN 81 Ca 0.27 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.68 2ca9 h GLN 81 Cb 0.14 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 2ca9 h GLN 81 CO -0.03 0.27 0.06 0.00 -2.65 0.00 0.00 178.83 176.48 2ca9 h ARG 82 N 0.42 0.87 -0.50 1.69 3.08 -0.48 -0.60 114.38 118.85 2ca9 h ARG 82 Ca 0.24 -0.21 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 2ca9 h ARG 82 Cb 0.21 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2ca9 h ARG 82 CO -0.21 0.82 -0.17 0.52 -1.07 0.00 0.00 179.97 179.87 2ca9 h MET 83 N 0.82 0.99 -0.29 0.04 2.86 -0.72 -0.11 114.93 118.52 2ca9 h MET 83 Ca 0.17 -0.39 0.04 0.00 -2.06 0.00 0.00 59.70 57.46 2ca9 h MET 83 Cb 0.40 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 2ca9 h MET 83 CO 0.01 1.07 0.04 0.82 1.06 0.00 0.00 176.91 179.91 2ca9 h ILE 84 N 0.87 0.84 -0.08 -1.22 2.04 -0.85 0.97 117.51 120.08 2ca9 h ILE 84 Ca 0.12 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.97 2ca9 h ILE 84 Cb 0.74 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 2ca9 h ILE 84 CO 0.06 0.03 -0.14 0.44 0.00 0.00 0.00 178.15 178.53 2ca9 h ASP 85 N 0.14 -0.43 -0.31 1.72 3.32 -0.82 0.21 116.42 120.25 2ca9 h ASP 85 Ca 0.13 0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.33 2ca9 h ASP 85 Cb 0.15 0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.83 2ca9 h ASP 85 CO -0.19 -0.19 -0.13 0.40 -1.72 0.00 0.00 179.24 177.41 2ca9 h ILE 86 N -0.20 0.58 -0.63 0.35 2.04 -0.83 -2.38 117.51 116.44 2ca9 h ILE 86 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 2ca9 h ILE 86 Cb 0.30 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2ca9 h ILE 86 CO -0.20 0.00 0.34 -0.61 0.00 0.00 0.00 178.15 177.68 2ca9 h GLN 87 N -0.08 0.89 -0.97 2.37 -0.00 -0.33 -1.54 115.11 115.45 2ca9 h GLN 87 Ca 0.16 -0.11 0.07 0.00 -0.00 0.00 0.00 58.65 58.76 2ca9 h GLN 87 Cb 0.32 -0.17 -0.06 0.00 0.00 0.00 0.00 27.48 27.56 2ca9 h GLN 87 CO -0.36 0.68 0.63 0.45 0.00 0.00 0.00 178.83 180.23 2ca9 h HIS 88 N 0.86 1.14 0.00 3.99 3.86 -0.44 -2.49 115.15 122.08 2ca9 h HIS 88 Ca 0.22 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2ca9 h HIS 88 Cb 0.06 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.16 2ca9 h HIS 88 CO -0.01 0.59 -0.48 0.00 0.86 0.00 0.00 177.93 178.90 2ca9 h ALA 89 N 1.48 0.75 0.00 2.45 0.00 -1.18 -3.38 119.26 119.37 2ca9 h ALA 89 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 2ca9 h ALA 89 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2ca9 h ALA 89 CO -0.16 0.00 -0.05 0.66 0.00 0.00 0.00 179.25 179.70 2ca9 h SER 90 N 0.00 0.00 0.00 0.00 4.64 -0.80 -3.46 113.55 113.93 2ca9 h SER 90 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ca9 h SER 90 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2ca9 h SER 90 CO 0.00 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 2ca9 n GLY 91 N -0.98 2.15 3.85 -0.77 0.00 -1.26 -4.66 105.19 103.52 2ca9 n GLY 91 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2ca9 n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ca9 s THR 92 N -2.37 4.32 -0.26 2.61 -4.23 -1.26 -4.92 115.64 109.53 2ca9 s THR 92 Ca 0.00 0.75 -0.06 0.00 -1.18 0.00 0.00 61.69 61.20 2ca9 s THR 92 Cb 0.00 -3.63 -0.00 0.00 1.34 0.00 0.00 72.50 70.21 2ca9 s THR 92 CO 0.00 -0.98 0.04 -2.28 -0.54 0.00 0.00 174.62 170.85 2ca9 s HIS 93 N -3.13 3.08 -0.09 3.99 2.46 0.55 -4.95 115.29 117.21 2ca9 s HIS 93 Ca 0.57 -0.87 -0.30 0.00 0.47 0.00 0.00 55.06 54.92 2ca9 s HIS 93 Cb -0.12 -2.20 -0.02 0.00 -0.13 0.00 0.00 32.58 30.10 2ca9 s HIS 93 CO 0.54 -0.53 1.17 0.08 -2.47 0.00 0.00 174.74 173.54 2ca9 s VAL 94 N 1.51 4.35 -0.07 0.89 1.01 -1.26 -0.28 120.40 126.55 2ca9 s VAL 94 Ca 0.04 1.66 -0.04 0.00 0.00 0.00 0.00 61.98 63.65 2ca9 s VAL 94 Cb -0.16 -4.07 -0.27 0.00 0.00 0.00 0.00 36.38 31.88 2ca9 s VAL 94 CO 0.01 -0.03 0.57 -0.07 0.00 0.00 0.00 175.10 175.58 2ca9 h LEU 95 N 8.45 0.38 -7.00 3.92 3.38 -0.95 -3.48 115.31 120.01 2ca9 h LEU 95 Ca -0.32 -0.72 0.20 0.00 0.09 0.00 0.00 57.88 57.13 2ca9 h LEU 95 Cb 1.15 -0.12 -0.29 0.00 0.09 0.00 0.00 40.66 41.48 2ca9 h LEU 95 CO 0.89 1.63 0.86 0.00 0.09 0.00 0.00 178.44 181.92 2ca9 s THR 97 N -0.54 2.35 -0.04 0.00 -4.23 -1.26 -0.97 115.64 110.95 2ca9 s THR 97 Ca 0.07 -1.12 0.04 0.00 -1.18 0.00 0.00 61.69 59.50 2ca9 s THR 97 Cb -0.03 -1.88 -0.00 0.00 1.34 0.00 0.00 72.50 71.93 2ca9 s THR 97 CO -0.10 0.50 -0.14 -0.89 -0.54 0.00 0.00 174.62 173.45 2ca9 s THR 98 N -0.72 1.18 0.00 3.99 2.01 -0.45 -5.00 115.64 116.65 2ca9 s THR 98 Ca 0.11 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.57 2ca9 s THR 98 Cb -0.10 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 2ca9 s THR 98 CO 0.01 0.35 -0.10 -1.38 -0.69 0.00 0.00 174.62 172.81 2ca9 s HIS 99 N 0.09 0.88 0.17 4.92 -3.43 -1.26 -0.56 115.29 116.09 2ca9 s HIS 99 Ca -0.03 -0.20 0.07 0.00 -0.80 0.00 0.00 55.06 54.10 2ca9 s HIS 99 Cb -0.10 -0.55 -0.04 0.00 -1.43 0.00 0.00 32.58 30.45 2ca9 s HIS 99 CO 0.01 -0.01 -0.15 0.96 -2.00 0.00 0.00 174.74 173.55 2ca9 s ILE 100 N -0.36 1.63 -0.16 -5.38 -4.36 -0.41 -4.99 121.20 107.16 2ca9 s ILE 100 Ca 0.03 -1.98 -0.26 0.00 -0.26 0.00 0.00 60.65 58.18 2ca9 s ILE 100 Cb -0.04 -1.83 -0.01 0.00 1.25 0.00 0.00 42.46 41.82 2ca9 s ILE 100 CO -0.00 -0.46 0.84 -1.00 0.24 0.00 0.00 174.94 174.56 2ca9 s HIS 101 N -2.47 3.43 -0.19 1.37 3.76 -1.26 -0.82 115.29 119.11 2ca9 s HIS 101 Ca 0.16 1.28 0.11 0.00 -0.15 0.00 0.00 55.06 56.46 2ca9 s HIS 101 Cb -0.03 -3.02 -0.22 0.00 1.11 0.00 0.00 32.58 30.41 2ca9 s HIS 101 CO 0.05 -0.23 0.07 0.00 -0.85 0.00 0.00 174.74 173.78 2ca9 n MET 102 N 5.19 0.68 0.00 1.40 0.00 -0.50 -4.90 117.12 118.98 2ca9 n MET 102 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.84 2ca9 n MET 102 Cb 0.49 -1.57 0.00 0.00 0.00 0.00 0.00 33.22 32.14 2ca9 n MET 102 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2ca9 n ASP 103 N -3.00 0.00 0.19 3.17 5.68 -1.14 -5.00 116.55 116.45 2ca9 n ASP 103 Ca -0.35 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.07 2ca9 n ASP 103 Cb 1.09 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 41.41 2ca9 n ASP 103 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2ca9 h GLU 104 N 0.00 0.00 0.00 0.11 9.09 -2.03 -3.28 114.58 118.46 2ca9 h GLU 104 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2ca9 h GLU 104 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2ca9 h GLU 104 CO 0.00 0.00 -1.05 0.72 0.05 0.00 0.00 179.01 178.73 2ca9 n HIS 105 N -2.81 0.00 -4.42 2.06 8.25 -1.26 -4.99 115.22 112.05 2ca9 n HIS 105 Ca 0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.26 2ca9 n HIS 105 Cb 0.44 -0.12 -0.13 0.00 1.12 0.00 0.00 29.99 31.30 2ca9 n HIS 105 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2ca9 s ASN 106 N -2.51 2.43 0.04 0.41 0.01 -1.24 -2.07 114.94 112.02 2ca9 s ASN 106 Ca -0.01 -0.61 0.07 0.00 -0.71 0.00 0.00 52.86 51.60 2ca9 s ASN 106 Cb 0.05 -0.16 -0.03 0.00 0.41 0.00 0.00 41.25 41.52 2ca9 s ASN 106 CO 0.30 0.09 -0.18 0.00 -1.51 0.00 0.00 177.10 175.80 2ca9 s LEU 108 N -1.45 2.62 -0.05 0.00 0.20 -0.00 -1.38 118.68 118.63 2ca9 s LEU 108 Ca 0.15 -0.44 0.05 0.00 0.69 0.00 0.00 54.13 54.58 2ca9 s LEU 108 Cb -0.10 -1.63 -0.02 0.00 -0.43 0.00 0.00 46.19 44.01 2ca9 s LEU 108 CO 0.05 0.05 -0.20 -0.70 -0.29 0.00 0.00 176.35 175.25 2ca9 s GLU 109 N 1.06 2.46 -0.13 1.98 2.12 0.52 -1.29 118.70 125.42 2ca9 s GLU 109 Ca -0.00 -0.82 -0.01 0.00 0.36 0.00 0.00 54.97 54.49 2ca9 s GLU 109 Cb -0.15 -2.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.98 2ca9 s GLU 109 CO -0.02 0.51 -0.08 0.95 -0.54 0.00 0.00 175.26 176.07 2ca9 s THR 110 N -0.47 3.49 -0.20 -1.70 -4.23 0.28 -0.32 115.64 112.49 2ca9 s THR 110 Ca 0.06 -0.51 -0.01 0.00 -1.18 0.00 0.00 61.69 60.05 2ca9 s THR 110 Cb -0.12 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.25 2ca9 s THR 110 CO 0.01 0.52 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.85 2ca9 s ILE 111 N 0.18 2.60 -0.17 2.99 1.01 0.31 -1.34 121.20 126.78 2ca9 s ILE 111 Ca -0.05 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 2ca9 s ILE 111 Cb -0.14 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 2ca9 s ILE 111 CO 0.04 0.45 0.02 -0.63 0.00 0.00 0.00 174.94 174.82 2ca9 s ILE 112 N 1.35 4.46 0.08 2.92 1.01 -0.15 -0.19 121.20 130.69 2ca9 s ILE 112 Ca 0.04 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.43 2ca9 s ILE 112 Cb -0.14 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.35 2ca9 s ILE 112 CO -0.09 0.47 0.24 -1.48 0.00 0.00 0.00 174.94 174.09 2ca9 s LEU 113 N 0.35 1.19 0.03 2.97 0.05 -0.57 -0.23 118.68 122.48 2ca9 s LEU 113 Ca 0.00 -0.49 0.09 0.00 0.05 0.00 0.00 54.13 53.78 2ca9 s LEU 113 Cb -0.13 1.18 -0.03 0.00 -2.05 0.00 0.00 46.19 45.17 2ca9 s LEU 113 CO 0.01 -0.70 -0.26 0.00 -0.55 0.00 0.00 176.35 174.85 2ca9 s GLN 114 N -3.45 1.86 0.01 1.48 -2.07 0.61 -0.93 119.66 117.17 2ca9 s GLN 114 Ca 0.02 -1.08 -0.27 0.00 -1.82 0.00 0.00 55.36 52.21 2ca9 s GLN 114 Cb 0.03 -1.99 0.09 0.00 -1.09 0.00 0.00 33.01 30.04 2ca9 s GLN 114 CO -0.09 0.52 1.22 0.41 -1.32 0.00 0.00 175.29 176.03 2ca9 n GLY 115 N 1.91 0.27 3.94 2.60 0.00 -0.29 -0.33 105.19 113.29 2ca9 n GLY 115 Ca -0.17 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 2ca9 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ca9 s ASN 116 N -3.73 4.52 0.27 1.61 2.20 -1.26 -0.71 114.94 117.85 2ca9 s ASN 116 Ca 0.29 0.29 -0.00 0.00 -0.94 0.00 0.00 52.86 52.50 2ca9 s ASN 116 Cb -0.01 -0.83 0.51 0.00 -2.00 0.00 0.00 41.25 38.92 2ca9 s ASN 116 CO 0.00 -1.78 1.83 0.28 -2.94 0.00 0.00 177.10 174.49 2ca9 h SER 117 N -0.71 0.88 -0.30 3.54 0.02 -1.64 -2.25 113.55 113.08 2ca9 h SER 117 Ca -0.43 0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 60.40 2ca9 h SER 117 Cb 1.30 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 2ca9 h SER 117 CO 0.54 0.48 -0.47 -0.26 -1.14 0.00 0.00 176.83 175.98 2ca9 h PHE 118 N 0.96 1.04 -0.10 3.45 -1.00 -1.94 -0.93 116.94 118.41 2ca9 h PHE 118 Ca 0.47 -0.35 -0.01 0.00 2.81 0.00 0.00 57.97 60.88 2ca9 h PHE 118 Cb 0.44 -0.20 -0.00 0.00 3.61 0.00 0.00 35.95 39.79 2ca9 h PHE 118 CO -0.02 1.17 0.01 0.93 -1.61 0.00 0.00 178.31 178.79 2ca9 h GLU 119 N 0.62 0.18 -0.28 1.51 5.08 -1.78 -2.24 114.58 117.66 2ca9 h GLU 119 Ca 0.03 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 2ca9 h GLU 119 Cb 1.07 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2ca9 h GLU 119 CO 0.11 0.40 -0.42 0.82 -1.00 0.00 0.00 179.01 178.92 2ca9 h ILE 120 N -0.07 1.30 -0.60 3.13 2.04 -1.44 -1.06 117.51 120.81 2ca9 h ILE 120 Ca 0.03 -1.61 -0.02 0.00 1.00 0.00 0.00 64.86 64.26 2ca9 h ILE 120 Cb 0.31 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 2ca9 h ILE 120 CO 0.00 0.52 0.29 -0.61 0.00 0.00 0.00 178.15 178.35 2ca9 h GLN 121 N 0.52 0.87 -0.40 2.37 5.75 -1.20 -1.10 115.11 121.92 2ca9 h GLN 121 Ca 0.03 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 2ca9 h GLN 121 Cb 1.01 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.39 2ca9 h GLN 121 CO 0.10 0.70 0.18 -0.09 -2.65 0.00 0.00 178.83 177.07 2ca9 h ARG 122 N 0.82 0.58 -0.39 1.69 2.43 -1.31 -1.88 114.38 116.33 2ca9 h ARG 122 Ca 0.21 -0.09 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 2ca9 h ARG 122 Cb 0.12 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.50 2ca9 h ARG 122 CO -0.03 0.53 -0.08 1.25 -1.51 0.00 0.00 179.97 180.13 2ca9 h LEU 123 N 0.50 -0.34 -0.62 3.80 5.85 -0.95 0.80 115.31 124.35 2ca9 h LEU 123 Ca 0.14 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 2ca9 h LEU 123 Cb 0.15 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2ca9 h LEU 123 CO -0.01 -0.12 0.33 -0.61 -0.34 0.00 0.00 178.44 177.69 2ca9 h GLN 124 N 0.01 0.88 -0.22 1.25 4.15 -1.01 -0.97 115.11 119.19 2ca9 h GLN 124 Ca 0.19 -0.11 -0.20 0.00 0.77 0.00 0.00 58.65 59.30 2ca9 h GLN 124 Cb 0.29 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2ca9 h GLN 124 CO -0.39 0.67 -0.65 -0.07 -1.93 0.00 0.00 178.83 176.46 2ca9 h LEU 125 N 0.85 0.95 -0.49 -2.39 3.38 -1.14 -0.69 115.31 115.78 2ca9 h LEU 125 Ca 0.22 -0.56 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 2ca9 h LEU 125 Cb 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2ca9 h LEU 125 CO -0.03 1.36 -0.03 -0.33 0.09 0.00 0.00 178.44 179.50 2ca9 h GLU 126 N 0.60 0.88 -0.32 1.13 5.08 -0.74 -2.41 114.58 118.81 2ca9 h GLU 126 Ca -0.02 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 2ca9 h GLU 126 Cb 1.27 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2ca9 h GLU 126 CO 0.14 0.93 -0.06 0.82 -1.00 0.00 0.00 179.01 179.84 2ca9 h ILE 127 N 0.74 1.28 -0.14 3.13 2.04 -1.19 -3.07 117.51 120.31 2ca9 h ILE 127 Ca 0.14 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 64.95 2ca9 h ILE 127 Cb 0.55 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2ca9 h ILE 127 CO 0.03 0.35 0.12 1.23 0.00 0.00 0.00 178.15 179.88 2ca9 h GLY 128 N 0.38 0.00 -1.49 5.37 0.00 -1.04 -1.98 103.07 104.32 2ca9 h GLY 128 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2ca9 h GLY 128 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 2ca9 n GLY 129 N -1.46 0.94 3.76 4.60 0.00 -0.91 -4.87 105.19 107.23 2ca9 n GLY 129 Ca 0.00 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 2ca9 n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ca9 s LEU 130 N -1.18 4.57 0.24 0.99 1.43 -0.75 -5.00 118.68 118.98 2ca9 s LEU 130 Ca 0.31 2.19 -0.31 0.00 -1.03 0.00 0.00 54.13 55.30 2ca9 s LEU 130 Cb 0.17 -3.62 -0.11 0.00 0.03 0.00 0.00 46.19 42.65 2ca9 s LEU 130 CO 0.23 -0.09 1.59 -0.60 0.23 0.00 0.00 176.35 177.71 2ca9 s ARG 131 N -1.30 4.16 0.00 1.70 3.52 -1.26 -1.85 118.95 123.92 2ca9 s ARG 131 Ca 0.44 2.50 0.00 0.00 -0.13 0.00 0.00 55.73 58.54 2ca9 s ARG 131 Cb -0.31 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 2ca9 s ARG 131 CO 0.39 -0.62 0.00 0.41 -0.81 0.00 0.00 175.30 174.67 2ca9 n GLY 132 N 2.85 3.16 3.64 8.12 0.00 -1.26 -4.95 105.19 116.75 2ca9 n GLY 132 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2ca9 n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ca9 s VAL 133 N -2.61 4.79 -0.05 1.61 1.01 -0.77 -0.95 120.40 123.44 2ca9 s VAL 133 Ca 0.00 1.62 -0.00 0.00 0.00 0.00 0.00 61.98 63.60 2ca9 s VAL 133 Cb 0.00 -4.16 -0.26 0.00 0.00 0.00 0.00 36.38 31.96 2ca9 s VAL 133 CO 0.00 -0.12 0.66 0.11 0.00 0.00 0.00 175.10 175.74 2ca9 h LYS 134 N 7.69 0.19 -2.23 2.72 1.79 -0.78 -3.46 116.57 122.49 2ca9 h LYS 134 Ca -0.22 -0.33 0.18 0.00 -2.18 0.00 0.00 60.65 58.09 2ca9 h LYS 134 Cb 1.09 0.12 -0.10 0.00 -1.58 0.00 0.00 32.23 31.76 2ca9 h LYS 134 CO 0.90 0.99 0.52 -0.59 -1.08 0.00 0.00 179.45 180.19 2ca9 s PHE 135 N -2.59 -0.17 -0.25 -1.35 -0.12 -1.06 -4.97 117.98 107.47 2ca9 s PHE 135 Ca -0.12 -0.07 -0.02 0.00 -0.05 0.00 0.00 56.93 56.67 2ca9 s PHE 135 Cb 0.07 0.61 0.12 0.00 -0.63 0.00 0.00 43.02 43.19 2ca9 s PHE 135 CO 0.82 -0.71 0.30 0.00 -0.05 0.00 0.00 175.22 175.58 2ca9 s ALA 136 N -3.16 -0.60 -0.13 1.99 0.00 -1.25 -1.86 121.76 116.75 2ca9 s ALA 136 Ca 0.11 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2ca9 s ALA 136 Cb -0.01 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 2ca9 s ALA 136 CO -0.01 -1.47 -0.14 0.15 0.00 0.00 0.00 175.76 174.28 2ca9 s LYS 137 N 2.40 3.32 0.00 0.00 1.02 0.38 -4.88 119.74 121.98 2ca9 s LYS 137 Ca 0.09 -0.72 -0.13 0.00 0.02 0.00 0.00 55.97 55.24 2ca9 s LYS 137 Cb -0.15 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.51 2ca9 s LYS 137 CO -0.23 0.16 0.37 -1.17 -0.92 0.00 0.00 175.35 173.57 2ca9 s LEU 138 N 0.46 4.44 -0.11 3.17 2.96 -1.26 -1.32 118.68 127.02 2ca9 s LEU 138 Ca -0.10 0.87 0.02 0.00 -0.22 0.00 0.00 54.13 54.69 2ca9 s LEU 138 Cb -0.16 -2.61 0.01 0.00 0.50 0.00 0.00 46.19 43.94 2ca9 s LEU 138 CO 0.05 0.30 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.33 2ca9 s THR 139 N -1.14 1.60 -0.05 3.68 2.01 0.62 -4.97 115.64 117.39 2ca9 s THR 139 Ca 0.25 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.58 2ca9 s THR 139 Cb -0.16 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 2ca9 s THR 139 CO 0.13 0.46 -0.18 -0.75 -0.69 0.00 0.00 174.62 173.59 2ca9 s LYS 140 N 0.93 2.52 -0.27 4.92 2.20 -1.26 -0.38 119.74 128.40 2ca9 s LYS 140 Ca -0.07 -0.78 0.03 0.00 -0.36 0.00 0.00 55.97 54.79 2ca9 s LYS 140 Cb -0.15 -2.30 0.07 0.00 -1.51 0.00 0.00 37.83 33.94 2ca9 s LYS 140 CO -0.01 0.53 -0.07 0.00 -0.36 0.00 0.00 175.35 175.43 2ca9 s ALA 141 N -0.50 2.54 0.49 3.13 0.00 -0.74 -5.02 121.76 121.66 2ca9 s ALA 141 Ca 0.06 -1.86 -0.18 0.00 0.00 0.00 0.00 51.96 49.98 2ca9 s ALA 141 Cb -0.12 -1.64 -0.09 0.00 0.00 0.00 0.00 23.12 21.28 2ca9 s ALA 141 CO 0.01 -1.29 0.98 0.45 0.00 0.00 0.00 175.76 175.91 2ca9 s SER 142 N 1.11 6.68 0.33 0.00 0.15 -1.26 -3.40 113.70 117.30 2ca9 s SER 142 Ca -0.05 1.64 0.25 0.00 0.70 0.00 0.00 55.95 58.49 2ca9 s SER 142 Cb -0.20 -2.52 1.14 0.00 -1.71 0.00 0.00 66.02 62.73 2ca9 s SER 142 CO -0.06 -0.55 1.76 0.28 1.20 0.00 0.00 173.24 175.87 2ca9 h SER 143 N 1.26 0.00 0.58 5.45 0.02 -1.97 0.76 113.55 119.64 2ca9 h SER 143 Ca -0.48 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 2ca9 h SER 143 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 2ca9 h SER 143 CO 0.61 0.00 -0.11 -0.26 -1.14 0.00 0.00 176.83 175.93 2ca9 h PHE 144 N 0.00 0.00 -0.43 3.45 -1.00 -2.02 -3.21 116.94 113.73 2ca9 h PHE 144 Ca 0.00 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.50 2ca9 h PHE 144 Cb 0.27 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 39.73 2ca9 h PHE 144 CO 0.00 0.11 0.07 0.39 -1.61 0.00 0.00 178.31 177.27 2ca9 n GLU 145 N -3.42 1.94 0.00 1.51 1.02 0.26 -5.26 120.64 116.69 2ca9 n GLU 145 Ca -0.01 -1.38 0.00 0.00 -0.02 0.00 0.00 57.16 55.75 2ca9 n GLU 145 Cb 0.28 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 2ca9 n GLU 145 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79