#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iag s LEU 3 N 0.00 3.62 0.63 3.41 1.43 -1.26 -5.10 118.68 121.41 1iag s LEU 3 Ca 0.00 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 1iag s LEU 3 Cb 0.00 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1iag s LEU 3 CO 0.00 -0.07 1.04 -2.16 0.23 0.00 0.00 176.35 175.39 1iag s PRO 4 N 1.63 3.47 0.10 1.29 0.04 -1.26 -4.88 135.00 135.39 1iag s PRO 4 Ca 0.06 0.74 -0.31 0.00 0.04 0.00 0.00 61.00 61.53 1iag s PRO 4 Cb -0.16 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.24 1iag s PRO 4 CO 0.05 -0.66 1.48 -1.14 0.04 0.00 0.00 177.00 176.77 1iag s GLN 5 N -5.19 4.27 0.25 4.56 2.00 -1.26 -4.80 119.66 119.49 1iag s GLN 5 Ca 0.56 2.17 0.05 0.00 -2.00 0.00 0.00 55.36 56.13 1iag s GLN 5 Cb -0.11 -3.34 -0.05 0.00 0.80 0.00 0.00 33.01 30.30 1iag s GLN 5 CO 0.54 -0.55 -0.03 1.03 -0.50 0.00 0.00 175.29 175.78 1iag s ARG 6 N 1.59 1.42 -0.02 1.67 1.81 -0.56 -4.97 118.95 119.89 1iag s ARG 6 Ca 0.67 -1.72 -0.00 0.00 -1.72 0.00 0.00 55.73 52.97 1iag s ARG 6 Cb -0.38 -0.83 0.02 0.00 -0.45 0.00 0.00 34.95 33.31 1iag s ARG 6 CO 0.30 -0.04 0.03 0.71 -0.68 0.00 0.00 175.30 175.62 1iag s TYR 7 N -3.25 0.02 -0.22 -0.53 1.51 -0.49 -1.44 117.35 112.95 1iag s TYR 7 Ca 0.29 0.11 -0.03 0.00 -1.01 0.00 0.00 57.07 56.43 1iag s TYR 7 Cb 0.05 -0.20 0.00 0.00 -0.11 0.00 0.00 41.96 41.70 1iag s TYR 7 CO 0.10 -0.07 -0.08 0.42 -1.11 0.00 0.00 175.55 174.80 1iag s ILE 8 N 0.89 3.02 -0.61 2.71 1.01 -0.39 -4.44 121.20 123.40 1iag s ILE 8 Ca -0.07 -0.66 -0.24 0.00 0.00 0.00 0.00 60.65 59.68 1iag s ILE 8 Cb -0.11 -2.38 0.05 0.00 0.01 0.00 0.00 42.46 40.04 1iag s ILE 8 CO -0.02 0.42 0.97 -1.61 0.00 0.00 0.00 174.94 174.69 1iag s GLU 9 N 1.42 3.22 -0.13 2.79 2.02 -1.26 -0.56 118.70 126.20 1iag s GLU 9 Ca 0.05 -0.52 -0.08 0.00 0.02 0.00 0.00 54.97 54.43 1iag s GLU 9 Cb -0.14 -4.14 -0.04 0.00 0.10 0.00 0.00 34.13 29.91 1iag s GLU 9 CO -0.06 -1.67 0.16 -1.17 0.02 0.00 0.00 175.26 172.55 1iag s LEU 10 N 4.09 4.36 -0.15 1.80 2.96 0.42 -0.16 118.68 132.00 1iag s LEU 10 Ca 0.27 0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 54.64 1iag s LEU 10 Cb -0.14 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 1iag s LEU 10 CO 0.15 0.35 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.70 1iag s VAL 11 N -0.73 2.82 -0.14 1.68 1.01 -0.36 -0.46 120.40 124.22 1iag s VAL 11 Ca 0.14 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1iag s VAL 11 Cb -0.12 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1iag s VAL 11 CO 0.04 0.51 0.01 -0.69 0.00 0.00 0.00 175.10 174.97 1iag s VAL 12 N 0.68 4.32 -0.08 2.92 1.01 -0.72 -0.99 120.40 127.54 1iag s VAL 12 Ca -0.07 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.74 1iag s VAL 12 Cb -0.16 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 1iag s VAL 12 CO 0.02 0.53 -0.24 -0.69 0.00 0.00 0.00 175.10 174.72 1iag s VAL 13 N -0.09 2.15 -0.12 2.92 1.01 -0.10 -0.89 120.40 125.29 1iag s VAL 13 Ca 0.04 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1iag s VAL 13 Cb -0.13 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1iag s VAL 13 CO 0.02 0.56 -0.15 0.00 0.00 0.00 0.00 175.10 175.53 1iag s ALA 14 N 0.04 2.55 0.86 5.51 0.00 -0.24 0.44 121.76 130.92 1iag s ALA 14 Ca -0.09 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 1iag s ALA 14 Cb -0.15 -1.12 0.09 0.00 0.00 0.00 0.00 23.12 21.94 1iag s ALA 14 CO 0.06 0.29 0.55 -0.40 0.00 0.00 0.00 175.76 176.25 1iag n ASP 15 N 3.40 0.22 0.09 0.00 5.75 -0.84 -1.09 116.55 124.08 1iag n ASP 15 Ca -0.18 -1.30 -0.01 0.00 -0.01 0.00 0.00 54.79 53.28 1iag n ASP 15 Cb 0.53 -0.40 0.26 0.00 -1.03 0.00 0.00 41.12 40.48 1iag n ASP 15 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1iag h ARG 16 N 0.00 0.26 -0.74 0.11 3.08 -1.92 -1.54 114.38 113.62 1iag h ARG 16 Ca -0.18 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 1iag h ARG 16 Cb 0.53 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1iag h ARG 16 CO 0.14 0.56 0.27 0.00 -1.07 0.00 0.00 179.97 179.87 1iag h ARG 17 N 0.23 1.13 -0.48 0.04 3.08 -1.93 -0.82 114.38 115.63 1iag h ARG 17 Ca 0.03 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.74 1iag h ARG 17 Cb 0.69 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1iag h ARG 17 CO 0.05 0.94 -0.14 0.28 -1.07 0.00 0.00 179.97 180.03 1iag h VAL 18 N 1.08 1.27 0.21 2.04 2.07 -1.78 -1.42 116.25 119.72 1iag h VAL 18 Ca 0.24 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.50 1iag h VAL 18 Cb 0.26 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1iag h VAL 18 CO -0.01 0.44 -0.23 0.15 0.02 0.00 0.00 177.57 177.94 1iag h PHE 19 N 0.81 -0.61 -0.53 1.57 3.57 -0.88 -2.34 116.94 118.53 1iag h PHE 19 Ca 0.12 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 1iag h PHE 19 Cb 0.68 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 1iag h PHE 19 CO 0.04 -0.34 -0.03 0.52 -2.23 0.00 0.00 178.31 176.27 1iag h MET 20 N -0.48 0.97 -0.42 1.11 2.86 -1.11 0.04 114.93 117.89 1iag h MET 20 Ca 0.00 -0.33 0.05 0.00 -2.06 0.00 0.00 59.70 57.37 1iag h MET 20 Cb 0.46 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1iag h MET 20 CO -0.07 0.99 0.28 -0.22 1.06 0.00 0.00 176.91 178.96 1iag h LYS 21 N 0.84 0.36 -1.00 1.72 3.64 -1.15 -1.69 116.57 119.29 1iag h LYS 21 Ca 0.15 -0.02 -0.64 0.00 -1.27 0.00 0.00 60.65 58.87 1iag h LYS 21 Cb 0.58 -0.08 -0.30 0.00 -0.41 0.00 0.00 32.23 32.02 1iag h LYS 21 CO 0.03 0.24 0.82 0.66 -2.27 0.00 0.00 179.45 178.93 1iag n TYR 22 N -4.48 3.20 -3.04 1.91 4.01 -0.89 -4.89 117.16 112.98 1iag n TYR 22 Ca 0.05 -2.74 -0.21 0.00 -0.16 0.00 0.00 57.90 54.84 1iag n TYR 22 Cb 0.22 -1.33 0.01 0.00 -0.31 0.00 0.00 39.34 37.93 1iag n TYR 22 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1iag n ASN 23 N -0.98 -4.93 -2.04 7.72 5.15 -0.63 -1.82 115.26 117.72 1iag n ASN 23 Ca 0.62 -0.25 -0.19 0.00 -0.60 0.00 0.00 54.58 54.16 1iag n ASN 23 Cb 0.92 -4.04 -0.04 0.00 -0.53 0.00 0.00 39.78 36.09 1iag n ASN 23 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1iag n SER 24 N -2.31 -5.32 -4.32 1.20 7.64 -0.01 -4.92 113.62 105.57 1iag n SER 24 Ca -0.09 0.22 -0.44 0.00 1.01 0.00 0.00 58.87 59.56 1iag n SER 24 Cb 0.59 -4.57 -0.07 0.00 -1.01 0.00 0.00 64.21 59.16 1iag n SER 24 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1iag s ASP 25 N -2.29 6.08 0.20 6.43 -1.08 -0.76 -4.95 116.67 120.29 1iag s ASP 25 Ca 0.00 -1.66 -0.11 0.00 -0.52 0.00 0.00 52.55 50.27 1iag s ASP 25 Cb 0.00 -2.16 0.21 0.00 -1.46 0.00 0.00 42.92 39.51 1iag s ASP 25 CO 0.00 -0.76 1.78 -0.07 0.52 0.00 0.00 175.17 176.65 1iag h LEU 26 N 8.76 0.40 -0.71 -1.34 -0.00 -1.91 -1.99 115.31 118.51 1iag h LEU 26 Ca -0.28 0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 57.61 1iag h LEU 26 Cb 1.10 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.70 1iag h LEU 26 CO 0.95 0.26 0.33 0.78 -0.00 0.00 0.00 178.44 180.76 1iag h ASN 27 N 0.54 0.95 0.06 -0.43 4.21 -1.97 0.25 115.58 119.19 1iag h ASN 27 Ca 0.27 -0.14 -0.00 0.00 1.21 0.00 0.00 56.30 57.63 1iag h ASN 27 Cb 0.21 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.17 1iag h ASN 27 CO -0.20 0.83 -0.03 0.40 -1.29 0.00 0.00 177.43 177.14 1iag h ILE 28 N 1.00 0.98 -0.12 2.81 1.08 -1.84 -2.18 117.51 119.24 1iag h ILE 28 Ca 0.24 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.60 1iag h ILE 28 Cb 0.14 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 1iag h ILE 28 CO -0.03 0.03 0.08 0.40 -0.69 0.00 0.00 178.15 177.94 1iag h ILE 29 N -0.12 1.03 -0.83 -0.67 2.04 -0.95 -2.39 117.51 115.62 1iag h ILE 29 Ca -0.01 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.85 1iag h ILE 29 Cb 0.10 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 1iag h ILE 29 CO 0.01 0.03 0.51 0.03 0.00 0.00 0.00 178.15 178.73 1iag h ARG 30 N 0.16 0.89 -0.41 2.37 3.08 -0.49 -1.57 114.38 118.41 1iag h ARG 30 Ca 0.04 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1iag h ARG 30 Cb -0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 1iag h ARG 30 CO -0.01 0.59 0.26 1.15 -1.07 0.00 0.00 179.97 180.89 1iag h THR 31 N 0.91 1.07 -0.69 2.04 2.02 -1.20 -1.00 112.91 116.07 1iag h THR 31 Ca 0.37 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1iag h THR 31 Cb 0.19 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1iag h THR 31 CO -0.18 0.10 0.43 -0.09 0.37 0.00 0.00 175.52 176.15 1iag h ARG 32 N 0.52 0.92 -0.47 6.66 2.43 -1.08 -0.65 114.38 122.71 1iag h ARG 32 Ca 0.16 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 1iag h ARG 32 Cb -0.03 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1iag h ARG 32 CO -0.05 0.63 -0.13 0.28 -1.51 0.00 0.00 179.97 179.19 1iag h VAL 33 N 0.93 1.26 -0.66 0.20 2.07 -0.98 -1.15 116.25 117.93 1iag h VAL 33 Ca 0.25 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 1iag h VAL 33 Cb -0.07 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1iag h VAL 33 CO -0.05 0.43 0.12 0.45 0.02 0.00 0.00 177.57 178.54 1iag h HIS 34 N 0.79 1.13 -0.24 1.57 3.86 -0.88 -1.30 115.15 120.08 1iag h HIS 34 Ca 0.12 -0.15 -0.04 0.00 -1.16 0.00 0.00 60.37 59.14 1iag h HIS 34 Cb 0.65 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 1iag h HIS 34 CO 0.04 0.94 -0.02 0.93 0.86 0.00 0.00 177.93 180.68 1iag h GLU 35 N 1.01 0.44 -0.46 2.45 5.08 -0.80 -2.36 114.58 119.94 1iag h GLU 35 Ca 0.20 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1iag h GLU 35 Cb 0.41 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1iag h GLU 35 CO 0.01 0.64 0.30 0.82 -1.00 0.00 0.00 179.01 179.78 1iag h ILE 36 N 0.21 1.11 0.00 3.13 2.04 -0.98 -2.45 117.51 120.57 1iag h ILE 36 Ca 0.07 -0.21 -0.12 0.00 1.00 0.00 0.00 64.86 65.60 1iag h ILE 36 Cb 0.45 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1iag h ILE 36 CO 0.02 0.11 -0.55 0.58 0.00 0.00 0.00 178.15 178.30 1iag h VAL 37 N 0.61 1.16 -0.15 1.67 2.07 -1.04 -1.34 116.25 119.23 1iag h VAL 37 Ca 0.17 -2.08 -0.21 0.00 0.82 0.00 0.00 66.70 65.40 1iag h VAL 37 Cb -0.06 2.20 0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1iag h VAL 37 CO -0.04 0.54 -0.75 0.78 0.02 0.00 0.00 177.57 178.13 1iag h ASN 38 N 0.00 0.91 -0.76 0.57 2.35 -0.98 -2.41 115.58 115.26 1iag h ASN 38 Ca -0.01 -0.63 -0.03 0.00 -0.55 0.00 0.00 56.30 55.08 1iag h ASN 38 Cb 1.16 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 39.22 1iag h ASN 38 CO 0.07 1.39 0.36 0.40 -1.65 0.00 0.00 177.43 178.00 1iag h ILE 39 N 0.48 1.25 -0.61 2.81 2.04 -1.32 -2.05 117.51 120.11 1iag h ILE 39 Ca -0.05 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 1iag h ILE 39 Cb 1.38 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1iag h ILE 39 CO 0.15 0.30 0.30 0.40 0.00 0.00 0.00 178.15 179.30 1iag h ILE 40 N 1.10 1.21 0.00 -0.67 2.04 -1.18 0.10 117.51 120.12 1iag h ILE 40 Ca 0.27 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1iag h ILE 40 Cb 0.13 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1iag h ILE 40 CO -0.03 0.24 -0.01 0.78 0.00 0.00 0.00 178.15 179.13 1iag h ASN 41 N 0.83 0.00 0.10 1.72 2.35 -0.92 -0.12 115.58 119.54 1iag h ASN 41 Ca 0.21 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.75 1iag h ASN 41 Cb 0.11 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.50 1iag h ASN 41 CO -0.03 0.01 -0.88 0.11 -1.65 0.00 0.00 177.43 174.99 1iag h LYS 42 N 0.00 0.42 -0.85 0.81 1.57 -0.33 -2.72 116.57 115.46 1iag h LYS 42 Ca -0.00 -0.58 0.06 0.00 -1.87 0.00 0.00 60.65 58.26 1iag h LYS 42 Cb 0.03 0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 1iag h LYS 42 CO 0.00 1.24 0.55 0.74 -0.57 0.00 0.00 179.45 181.42 1iag h PHE 43 N -0.13 0.96 -0.00 -1.35 0.04 -0.01 -2.92 116.94 113.53 1iag h PHE 43 Ca -0.14 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1iag h PHE 43 Cb 1.63 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 39.46 1iag h PHE 43 CO 0.16 0.51 -0.41 0.66 -0.60 0.00 0.00 178.31 178.63 1iag n TYR 44 N -4.48 0.00 -0.18 -0.55 4.01 -0.41 -4.12 117.16 111.42 1iag n TYR 44 Ca 0.13 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.97 1iag n TYR 44 Cb 0.20 -0.18 0.42 0.00 -0.31 0.00 0.00 39.34 39.47 1iag n TYR 44 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1iag h ARG 45 N 0.58 0.58 0.00 -0.72 2.43 -1.27 -0.99 114.38 114.99 1iag h ARG 45 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1iag h ARG 45 Cb 0.51 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1iag h ARG 45 CO 0.00 0.39 0.00 0.66 -1.51 0.00 0.00 179.97 179.51 1iag h SER 46 N 0.60 0.00 -0.02 -3.80 4.64 -1.77 -2.92 113.55 110.28 1iag h SER 46 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1iag h SER 46 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1iag h SER 46 CO -0.13 0.00 -0.08 0.18 -0.87 0.00 0.00 176.83 175.94 1iag n LEU 47 N -2.54 2.62 -0.29 5.97 4.32 -0.41 -4.95 117.00 121.72 1iag n LEU 47 Ca 0.03 -0.88 -0.04 0.00 -0.02 0.00 0.00 56.01 55.10 1iag n LEU 47 Cb 0.36 -0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.14 1iag n LEU 47 CO 0.27 0.44 -0.04 -3.20 -1.22 0.00 0.00 177.39 173.65 1iag n ASN 48 N 0.95 -3.34 -4.61 -1.43 2.85 -1.01 -4.82 115.26 103.84 1iag n ASN 48 Ca 0.14 0.09 -0.34 0.00 -0.11 0.00 0.00 54.58 54.35 1iag n ASN 48 Cb 0.54 -1.28 -0.10 0.00 1.24 0.00 0.00 39.78 40.19 1iag n ASN 48 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1iag s ILE 49 N -2.14 4.60 -0.29 -1.44 1.01 -1.08 -1.49 121.20 120.38 1iag s ILE 49 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 1iag s ILE 49 Cb 0.00 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 1iag s ILE 49 CO 0.00 0.47 0.13 -0.60 0.00 0.00 0.00 174.94 174.94 1iag s ARG 50 N 0.31 3.51 -0.23 2.79 3.00 -0.52 -4.25 118.95 123.55 1iag s ARG 50 Ca 0.02 -0.60 -0.14 0.00 -1.00 0.00 0.00 55.73 54.02 1iag s ARG 50 Cb -0.13 -3.50 -0.04 0.00 0.00 0.00 0.00 34.95 31.28 1iag s ARG 50 CO 0.01 -0.32 0.30 0.08 0.00 0.00 0.00 175.30 175.37 1iag s VAL 51 N 1.63 5.25 -0.10 7.11 1.01 -1.26 -1.26 120.40 132.78 1iag s VAL 51 Ca 0.05 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 1iag s VAL 51 Cb -0.16 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1iag s VAL 51 CO 0.06 0.26 -0.04 -0.44 0.00 0.00 0.00 175.10 174.94 1iag s SER 52 N 1.21 4.85 -0.71 3.32 0.01 0.27 -4.90 113.70 117.76 1iag s SER 52 Ca 0.14 -0.02 -0.22 0.00 1.31 0.00 0.00 55.95 57.16 1iag s SER 52 Cb -0.15 -1.47 0.08 0.00 0.21 0.00 0.00 66.02 64.70 1iag s SER 52 CO 0.07 0.30 0.99 -0.22 0.41 0.00 0.00 173.24 174.79 1iag s LEU 53 N -0.42 4.52 0.24 2.44 2.96 -1.26 -0.43 118.68 126.72 1iag s LEU 53 Ca 0.07 -1.19 -0.02 0.00 -0.22 0.00 0.00 54.13 52.76 1iag s LEU 53 Cb -0.12 -2.41 0.26 0.00 0.50 0.00 0.00 46.19 44.41 1iag s LEU 53 CO 0.02 -1.37 1.67 0.74 -1.32 0.00 0.00 176.35 176.09 1iag h THR 54 N 5.97 1.27 -1.63 3.68 2.02 -1.10 -3.47 112.91 119.64 1iag h THR 54 Ca -0.21 -1.28 0.06 0.00 0.77 0.00 0.00 66.41 65.76 1iag h THR 54 Cb 1.06 1.20 -0.22 0.00 -1.74 0.00 0.00 68.15 68.45 1iag h THR 54 CO 1.17 0.42 0.50 -0.62 0.37 0.00 0.00 175.52 177.36 1iag s ASP 55 N -6.75 -0.41 -0.15 4.18 2.15 -1.21 -5.03 116.67 109.45 1iag s ASP 55 Ca -0.09 0.44 0.01 0.00 0.43 0.00 0.00 52.55 53.34 1iag s ASP 55 Cb 0.13 0.34 0.02 0.00 -0.30 0.00 0.00 42.92 43.11 1iag s ASP 55 CO 0.82 -0.38 -0.17 -0.22 -0.17 0.00 0.00 175.17 175.05 1iag s LEU 56 N -1.15 1.86 -0.10 -1.34 2.96 -1.26 -1.76 118.68 117.89 1iag s LEU 56 Ca -0.03 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.33 1iag s LEU 56 Cb -0.00 -1.27 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 1iag s LEU 56 CO 0.02 -0.01 -0.01 -1.61 -1.32 0.00 0.00 176.35 173.42 1iag s GLU 57 N 1.25 3.17 -0.12 1.98 0.41 -0.07 -5.00 118.70 120.33 1iag s GLU 57 Ca 0.01 -0.45 0.00 0.00 -0.41 0.00 0.00 54.97 54.12 1iag s GLU 57 Cb -0.14 -2.82 0.02 0.00 -1.78 0.00 0.00 34.13 29.42 1iag s GLU 57 CO -0.08 0.56 -0.10 0.42 -0.49 0.00 0.00 175.26 175.57 1iag s ILE 58 N -0.51 1.22 -1.18 -1.63 1.01 -1.26 -1.07 121.20 117.77 1iag s ILE 58 Ca 0.08 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 60.12 1iag s ILE 58 Cb -0.12 -1.18 0.08 0.00 0.01 0.00 0.00 42.46 41.24 1iag s ILE 58 CO 0.02 0.40 1.59 0.26 0.00 0.00 0.00 174.94 177.21 1iag s TRP 59 N 1.50 2.78 -0.15 3.97 0.51 -0.25 -4.73 118.94 122.57 1iag s TRP 59 Ca 0.02 -1.41 0.16 0.00 -2.12 0.00 0.00 56.10 52.75 1iag s TRP 59 Cb -0.13 -4.68 -0.02 0.00 -0.81 0.00 0.00 33.47 27.84 1iag s TRP 59 CO -0.07 -1.80 1.19 0.66 -0.51 0.00 0.00 176.95 176.42 1iag h SER 60 N 8.30 0.00 0.00 2.95 4.64 -1.90 -3.30 113.55 124.24 1iag h SER 60 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1iag h SER 60 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1iag h SER 60 CO 1.41 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 178.49 1iag n GLY 61 N 1.29 0.09 3.05 -0.77 0.00 -1.26 -5.04 105.19 102.55 1iag n GLY 61 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1iag n GLY 61 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1iag s GLN 62 N -0.54 0.51 0.42 1.61 -2.07 -1.26 -5.08 119.66 113.24 1iag s GLN 62 Ca 0.00 -1.00 -0.25 0.00 -1.82 0.00 0.00 55.36 52.30 1iag s GLN 62 Cb 0.00 0.15 -0.08 0.00 -1.09 0.00 0.00 33.01 31.99 1iag s GLN 62 CO 0.00 -0.08 1.18 -0.51 -1.32 0.00 0.00 175.29 174.55 1iag s ASP 63 N -2.38 6.41 0.00 12.60 1.01 -1.26 -4.83 116.67 128.22 1iag s ASP 63 Ca -0.01 2.36 0.24 0.00 0.71 0.00 0.00 52.55 55.85 1iag s ASP 63 Cb 0.01 -2.61 0.49 0.00 1.01 0.00 0.00 42.92 41.82 1iag s ASP 63 CO -0.06 -0.76 1.43 0.49 0.21 0.00 0.00 175.17 176.48 1iag n PHE 64 N -0.08 0.14 -4.21 4.23 3.01 -1.26 -4.86 117.46 114.42 1iag n PHE 64 Ca 0.05 -0.07 -0.12 0.00 1.01 0.00 0.00 57.45 58.32 1iag n PHE 64 Cb 0.47 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.84 1iag n PHE 64 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1iag s ILE 65 N -1.86 0.65 -0.30 4.37 -4.36 -1.26 -5.03 121.20 113.40 1iag s ILE 65 Ca 0.33 -1.96 -0.19 0.00 -0.26 0.00 0.00 60.65 58.57 1iag s ILE 65 Cb 0.21 -1.98 -0.01 0.00 1.25 0.00 0.00 42.46 41.92 1iag s ILE 65 CO 0.31 -0.60 0.56 -0.89 0.24 0.00 0.00 174.94 174.56 1iag s THR 66 N -3.67 5.01 -0.28 8.37 2.01 -1.26 -5.00 115.64 120.82 1iag s THR 66 Ca 0.20 0.73 -0.29 0.00 0.31 0.00 0.00 61.69 62.64 1iag s THR 66 Cb 0.06 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.65 1iag s THR 66 CO 0.01 -0.08 1.23 -0.63 -0.69 0.00 0.00 174.62 174.47 1iag s ILE 67 N 2.44 4.28 0.25 1.82 -1.09 -1.26 -4.81 121.20 122.83 1iag s ILE 67 Ca 0.22 1.47 0.08 0.00 -2.23 0.00 0.00 60.65 60.19 1iag s ILE 67 Cb -0.15 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 1iag s ILE 67 CO 0.11 -0.41 0.10 -1.10 -1.23 0.00 0.00 174.94 172.42 1iag s GLN 68 N 3.89 2.66 0.30 2.79 -0.21 -1.26 -5.00 119.66 122.82 1iag s GLN 68 Ca 0.53 -1.18 0.26 0.00 0.02 0.00 0.00 55.36 54.99 1iag s GLN 68 Cb -0.16 -2.41 0.97 0.00 1.00 0.00 0.00 33.01 32.41 1iag s GLN 68 CO 0.19 0.40 1.76 0.66 -2.12 0.00 0.00 175.29 176.18 1iag h SER 69 N 1.78 0.00 -3.18 5.90 4.64 -1.96 -3.38 113.55 117.35 1iag h SER 69 Ca -0.47 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.30 1iag h SER 69 Cb 1.24 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.25 1iag h SER 69 CO 0.60 0.00 0.98 -0.55 -0.87 0.00 0.00 176.83 177.00 1iag s SER 70 N -4.63 6.44 0.45 4.97 0.15 -1.26 -1.18 113.70 118.64 1iag s SER 70 Ca 0.05 0.12 0.15 0.00 0.70 0.00 0.00 55.95 56.97 1iag s SER 70 Cb 0.10 -2.55 1.01 0.00 -1.71 0.00 0.00 66.02 62.87 1iag s SER 70 CO 0.48 -1.49 1.98 0.77 1.20 0.00 0.00 173.24 176.18 1iag h SER 71 N 9.59 0.00 0.53 5.45 4.64 -1.90 -1.48 113.55 130.38 1iag h SER 71 Ca -0.25 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.97 1iag h SER 71 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1iag h SER 71 CO 1.19 0.19 -0.50 0.28 -0.87 0.00 0.00 176.83 177.12 1iag h SER 72 N 0.00 0.00 0.18 4.97 0.02 -1.94 -0.48 113.55 116.30 1iag h SER 72 Ca -0.00 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 1iag h SER 72 Cb 0.35 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.92 1iag h SER 72 CO 0.03 0.50 -1.09 0.78 -1.14 0.00 0.00 176.83 175.90 1iag h ASN 73 N 0.00 0.65 -0.49 3.07 4.21 -1.83 -2.49 115.58 118.71 1iag h ASN 73 Ca -0.00 -0.92 -0.01 0.00 1.21 0.00 0.00 56.30 56.57 1iag h ASN 73 Cb 0.90 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.86 1iag h ASN 73 CO 0.06 1.53 0.25 0.74 -1.29 0.00 0.00 177.43 178.72 1iag h THR 74 N -0.11 1.18 -0.98 2.81 2.02 -1.20 -1.24 112.91 115.39 1iag h THR 74 Ca -0.19 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 66.52 1iag h THR 74 Cb 1.85 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 68.83 1iag h THR 74 CO 0.21 0.20 0.64 0.25 0.37 0.00 0.00 175.52 177.19 1iag h LEU 75 N 0.65 1.09 -0.04 2.58 5.85 -1.11 0.23 115.31 124.55 1iag h LEU 75 Ca 0.17 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1iag h LEU 75 Cb 0.09 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 1iag h LEU 75 CO -0.02 0.76 0.00 -1.13 -0.34 0.00 0.00 178.44 177.72 1iag h ASN 76 N 1.27 0.07 -0.63 1.25 -0.73 -1.13 -1.59 115.58 114.10 1iag h ASN 76 Ca 0.38 -0.28 -0.05 0.00 1.87 0.00 0.00 56.30 58.22 1iag h ASN 76 Cb -0.06 -0.02 -0.03 0.00 0.27 0.00 0.00 38.32 38.48 1iag h ASN 76 CO -0.10 0.33 0.21 0.28 -0.37 0.00 0.00 177.43 177.77 1iag h SER 77 N -0.19 0.91 -0.93 1.15 0.02 -0.97 -2.02 113.55 111.52 1iag h SER 77 Ca 0.01 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1iag h SER 77 Cb 0.29 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 1iag h SER 77 CO 0.00 0.87 0.62 0.15 -1.14 0.00 0.00 176.83 177.33 1iag h PHE 78 N 0.90 1.16 -0.51 3.45 3.57 -0.85 0.06 116.94 124.73 1iag h PHE 78 Ca 0.20 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1iag h PHE 78 Cb 0.28 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1iag h PHE 78 CO 0.02 0.72 0.20 0.78 -2.23 0.00 0.00 178.31 177.80 1iag h GLY 79 N 1.24 0.83 1.10 2.40 0.00 -1.05 0.34 103.07 107.94 1iag h GLY 79 Ca 0.35 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 1iag h GLY 79 CO -0.09 0.43 -0.21 -2.09 0.00 0.00 0.00 176.54 174.58 1iag h GLU 80 N 0.69 0.99 -0.44 4.80 4.22 -0.98 -2.53 114.58 121.33 1iag h GLU 80 Ca 0.17 -0.42 -0.11 0.00 0.08 0.00 0.00 59.36 59.08 1iag h GLU 80 Cb 0.21 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1iag h GLU 80 CO -0.01 1.10 -0.14 2.35 -2.18 0.00 0.00 179.01 180.13 1iag h TRP 81 N 0.85 0.99 -0.44 0.92 7.01 -0.72 -1.83 115.95 122.73 1iag h TRP 81 Ca 0.11 -0.22 0.09 0.00 2.11 0.00 0.00 58.89 60.97 1iag h TRP 81 Cb 0.79 -0.24 -0.08 0.00 -2.10 0.00 0.00 29.16 27.53 1iag h TRP 81 CO 0.05 0.99 -0.11 -0.09 -2.79 0.00 0.00 178.44 176.49 1iag h ARG 82 N 0.70 -0.01 -0.37 2.65 2.43 -0.86 0.42 114.38 119.35 1iag h ARG 82 Ca 0.11 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1iag h ARG 82 Cb 0.69 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 1iag h ARG 82 CO 0.05 -0.00 0.13 1.49 -1.51 0.00 0.00 179.97 180.12 1iag h GLU 83 N -0.01 0.56 0.00 0.20 4.81 -1.15 0.28 114.58 119.28 1iag h GLU 83 Ca 0.21 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 1iag h GLU 83 Cb 0.33 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1iag h GLU 83 CO -0.45 0.57 -0.88 -0.09 -0.73 0.00 0.00 179.01 177.42 1iag h ARG 84 N 0.45 0.00 0.00 1.92 2.43 -1.14 -3.39 114.38 114.64 1iag h ARG 84 Ca 0.12 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1iag h ARG 84 Cb 0.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1iag h ARG 84 CO -0.01 0.41 -1.14 0.28 -1.51 0.00 0.00 179.97 178.00 1iag n VAL 85 N -3.08 0.14 0.07 0.20 0.31 0.15 -4.82 118.33 111.30 1iag n VAL 85 Ca -0.03 -0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.13 1iag n VAL 85 Cb 0.77 -1.29 -0.05 0.00 -0.91 0.00 0.00 33.84 32.36 1iag n VAL 85 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1iag h LEU 86 N -0.07 0.53 -1.39 7.52 5.85 -1.13 -3.34 115.31 123.28 1iag h LEU 86 Ca -0.06 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 1iag h LEU 86 Cb 1.06 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1iag h LEU 86 CO -0.03 1.24 -0.01 0.25 -0.34 0.00 0.00 178.44 179.55 1iag h LEU 87 N 0.22 0.36 -2.15 2.25 5.85 -1.20 -2.45 115.31 118.19 1iag h LEU 87 Ca -0.09 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1iag h LEU 87 Cb 1.61 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.55 1iag h LEU 87 CO 0.17 0.43 0.00 0.16 -0.34 0.00 0.00 178.44 178.86 1iag h ILE 88 N 0.37 0.00 -0.09 4.05 3.07 -1.83 -3.43 117.51 119.66 1iag h ILE 88 Ca 0.08 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 66.24 1iag h ILE 88 Cb 0.28 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 38.06 1iag h ILE 88 CO 0.01 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.90 1iag n TRP 89 N -3.04 0.00 -1.65 0.16 7.02 -0.92 -5.00 117.44 114.00 1iag n TRP 89 Ca -0.01 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 56.03 1iag n TRP 89 Cb 0.19 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.06 1iag n TRP 89 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1iag n LYS 90 N 0.00 1.84 -1.69 -0.99 4.81 -1.26 -4.87 118.16 116.00 1iag n LYS 90 Ca 0.00 0.65 -0.44 0.00 -0.87 0.00 0.00 58.31 57.65 1iag n LYS 90 Cb 0.00 -2.20 -0.04 0.00 0.02 0.00 0.00 35.03 32.81 1iag n LYS 90 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1iag n ARG 91 N 1.23 2.58 -3.85 1.64 0.63 -1.26 -4.86 116.66 112.77 1iag n ARG 91 Ca 0.09 0.94 -0.09 0.00 -0.92 0.00 0.00 57.85 57.87 1iag n ARG 91 Cb 0.32 -2.79 -0.05 0.00 0.45 0.00 0.00 32.46 30.39 1iag n ARG 91 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1iag s HIS 92 N 2.36 0.09 -0.11 -0.14 -3.43 -1.26 -5.01 115.29 107.79 1iag s HIS 92 Ca 0.82 -0.45 0.12 0.00 -0.80 0.00 0.00 55.06 54.75 1iag s HIS 92 Cb -0.55 0.28 -0.18 0.00 -1.43 0.00 0.00 32.58 30.70 1iag s HIS 92 CO 0.39 -0.92 0.11 -0.25 -2.00 0.00 0.00 174.74 172.06 1iag n ASP 93 N -0.34 1.70 -3.62 7.38 8.00 0.77 -4.99 116.55 125.46 1iag n ASP 93 Ca -0.07 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.28 1iag n ASP 93 Cb 0.62 1.01 -0.07 0.00 -0.02 0.00 0.00 41.12 42.66 1iag n ASP 93 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1iag s ASN 94 N -4.43 -0.59 -0.01 -2.24 3.84 -1.07 -3.81 114.94 106.63 1iag s ASN 94 Ca -0.06 0.90 0.05 0.00 0.21 0.00 0.00 52.86 53.95 1iag s ASN 94 Cb 0.05 0.87 -0.01 0.00 -0.55 0.00 0.00 41.25 41.60 1iag s ASN 94 CO 0.56 -0.40 -0.16 0.00 -2.79 0.00 0.00 177.10 174.31 1iag s ALA 95 N -0.47 1.34 -0.11 1.71 0.00 -1.06 -1.23 121.76 121.94 1iag s ALA 95 Ca -0.06 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.22 1iag s ALA 95 Cb -0.03 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1iag s ALA 95 CO 0.05 0.32 -0.19 -0.65 0.00 0.00 0.00 175.76 175.29 1iag s GLN 96 N -0.44 2.65 -0.15 0.00 -1.52 -0.16 -2.46 119.66 117.57 1iag s GLN 96 Ca 0.06 -0.72 -0.18 0.00 -1.95 0.00 0.00 55.36 52.57 1iag s GLN 96 Cb -0.06 -2.13 -0.04 0.00 -0.22 0.00 0.00 33.01 30.56 1iag s GLN 96 CO -0.00 0.02 0.47 -1.17 -0.25 0.00 0.00 175.29 174.35 1iag s LEU 97 N 0.74 4.22 -0.30 2.90 2.96 -0.74 -0.92 118.68 127.55 1iag s LEU 97 Ca -0.10 0.72 -0.09 0.00 -0.22 0.00 0.00 54.13 54.44 1iag s LEU 97 Cb -0.16 -2.66 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 1iag s LEU 97 CO 0.01 -0.05 0.13 -0.22 -1.32 0.00 0.00 176.35 174.90 1iag s LEU 98 N 0.98 4.01 0.12 -0.68 2.96 0.17 0.50 118.68 126.75 1iag s LEU 98 Ca 0.24 -0.52 0.06 0.00 -0.22 0.00 0.00 54.13 53.69 1iag s LEU 98 Cb -0.15 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1iag s LEU 98 CO 0.09 -0.18 -0.14 0.28 -1.32 0.00 0.00 176.35 175.08 1iag s THR 99 N 1.60 1.35 -1.30 3.68 -1.32 -0.58 -1.98 115.64 117.09 1iag s THR 99 Ca 0.04 -1.71 0.13 0.00 -1.21 0.00 0.00 61.69 58.95 1iag s THR 99 Cb -0.17 -1.53 0.30 0.00 -1.51 0.00 0.00 72.50 69.59 1iag s THR 99 CO 0.05 -0.40 1.20 0.00 -2.21 0.00 0.00 174.62 173.27 1iag n ALA 100 N 0.56 2.29 -1.67 11.08 0.00 -1.26 0.03 120.51 131.53 1iag n ALA 100 Ca -0.16 -1.01 -0.35 0.00 0.00 0.00 0.00 53.44 51.92 1iag n ALA 100 Cb 0.57 -0.51 0.02 0.00 0.00 0.00 0.00 19.45 19.53 1iag n ALA 100 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1iag s ILE 101 N -1.04 3.05 -0.30 0.00 2.07 -1.26 -4.97 121.20 118.76 1iag s ILE 101 Ca 0.25 0.60 -0.16 0.00 -1.41 0.00 0.00 60.65 59.93 1iag s ILE 101 Cb 0.14 -3.18 -0.02 0.00 0.13 0.00 0.00 42.46 39.52 1iag s ILE 101 CO 0.19 -0.20 0.43 0.20 -1.91 0.00 0.00 174.94 173.64 1iag s ASN 102 N -1.99 6.28 0.45 4.50 -0.87 -1.26 -4.93 114.94 117.12 1iag s ASN 102 Ca 0.72 0.14 -0.23 0.00 -1.57 0.00 0.00 52.86 51.93 1iag s ASN 102 Cb -0.24 -2.23 -0.08 0.00 -0.02 0.00 0.00 41.25 38.68 1iag s ASN 102 CO 0.33 -0.30 1.10 -0.36 -2.57 0.00 0.00 177.10 175.30 1iag s PHE 103 N 2.17 3.02 0.43 2.20 0.08 -1.26 -4.70 117.98 119.92 1iag s PHE 103 Ca 0.16 1.58 -0.25 0.00 0.12 0.00 0.00 56.93 58.54 1iag s PHE 103 Cb -0.16 -3.23 -0.08 0.00 -0.57 0.00 0.00 43.02 38.98 1iag s PHE 103 CO 0.11 -1.08 1.33 -1.83 -0.10 0.00 0.00 175.22 173.65 1iag s GLU 104 N -2.75 3.83 -0.71 0.44 -1.05 -0.32 -3.59 118.70 114.55 1iag s GLU 104 Ca 0.63 2.20 -0.04 0.00 -0.15 0.00 0.00 54.97 57.60 1iag s GLU 104 Cb -0.24 -2.67 0.00 0.00 -0.44 0.00 0.00 34.13 30.78 1iag s GLU 104 CO 0.29 -0.62 0.53 0.41 0.95 0.00 0.00 175.26 176.82 1iag n GLY 105 N 0.64 0.17 1.93 -3.83 0.00 -1.26 -3.66 105.19 99.18 1iag n GLY 105 Ca 0.05 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1iag n GLY 105 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iag n LYS 106 N -2.68 -1.39 -2.23 1.61 5.02 -1.24 -4.90 118.16 112.35 1iag n LYS 106 Ca -0.01 0.63 -0.42 0.00 -2.02 0.00 0.00 58.31 56.49 1iag n LYS 106 Cb 0.54 -4.89 -0.03 0.00 -0.02 0.00 0.00 35.03 30.63 1iag n LYS 106 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1iag s ILE 107 N -2.02 3.53 -0.49 -0.18 -1.09 -1.24 -4.93 121.20 114.79 1iag s ILE 107 Ca 0.00 1.06 0.05 0.00 -2.23 0.00 0.00 60.65 59.53 1iag s ILE 107 Cb 0.00 -3.68 0.10 0.00 -1.58 0.00 0.00 42.46 37.30 1iag s ILE 107 CO 0.00 0.06 0.96 2.30 -1.23 0.00 0.00 174.94 177.03 1iag n ILE 108 N 4.12 0.66 -3.60 2.92 -5.35 -1.26 -4.29 119.36 112.56 1iag n ILE 108 Ca 0.11 -0.83 0.01 0.00 -0.27 0.00 0.00 62.75 61.78 1iag n ILE 108 Cb 0.43 0.70 -0.01 0.00 -1.74 0.00 0.00 39.64 39.03 1iag n ILE 108 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1iag s GLY 109 N -0.80 -0.41 -0.25 3.28 0.00 -1.26 -0.91 107.32 106.96 1iag s GLY 109 Ca 0.09 0.96 -0.26 0.00 0.00 0.00 0.00 44.72 45.50 1iag s GLY 109 CO 0.07 0.22 1.09 1.25 0.00 0.00 0.00 173.10 175.73 1iag s LYS 110 N -2.27 0.45 0.07 2.90 2.20 -0.51 -4.97 119.74 117.60 1iag s LYS 110 Ca 0.14 0.39 -0.21 0.00 -0.36 0.00 0.00 55.97 55.92 1iag s LYS 110 Cb 0.05 0.22 0.05 0.00 -1.51 0.00 0.00 37.83 36.64 1iag s LYS 110 CO -0.05 -0.08 0.51 0.00 -0.36 0.00 0.00 175.35 175.36 1iag s ALA 111 N -0.19 -1.28 0.37 3.13 0.00 -1.26 -0.74 121.76 121.78 1iag s ALA 111 Ca 0.03 0.50 -0.24 0.00 0.00 0.00 0.00 51.96 52.24 1iag s ALA 111 Cb -0.04 0.46 -0.10 0.00 0.00 0.00 0.00 23.12 23.45 1iag s ALA 111 CO -0.06 -0.54 1.00 0.71 0.00 0.00 0.00 175.76 176.87 1iag s TYR 112 N -2.71 3.43 -0.01 0.00 2.02 -1.22 -4.90 117.35 113.96 1iag s TYR 112 Ca -0.04 1.69 -0.00 0.00 -0.37 0.00 0.00 57.07 58.35 1iag s TYR 112 Cb -0.00 -3.02 -0.04 0.00 -0.40 0.00 0.00 41.96 38.50 1iag s TYR 112 CO -0.04 -0.25 0.07 -0.08 -1.57 0.00 0.00 175.55 173.68 1iag s THR 113 N -1.70 4.68 -1.08 -0.71 -1.32 -1.26 -2.69 115.64 111.56 1iag s THR 113 Ca 0.55 -0.40 -0.01 0.00 -1.21 0.00 0.00 61.69 60.62 1iag s THR 113 Cb -0.19 -3.12 0.00 0.00 -1.51 0.00 0.00 72.50 67.68 1iag s THR 113 CO 0.24 0.37 0.90 -1.20 -2.21 0.00 0.00 174.62 172.73 1iag n SER 114 N 1.27 -2.42 0.00 8.08 7.64 -0.07 -4.89 113.62 123.23 1iag n SER 114 Ca -0.14 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1iag n SER 114 Cb 0.53 -4.59 0.00 0.00 -1.01 0.00 0.00 64.21 59.13 1iag n SER 114 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1iag n SER 115 N -2.85 0.77 -4.65 6.43 3.41 -0.63 -4.94 113.62 111.17 1iag n SER 115 Ca -0.23 -1.23 -0.54 0.00 -0.26 0.00 0.00 58.87 56.60 1iag n SER 115 Cb 0.64 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.53 1iag n SER 115 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1iag n MET 116 N -0.11 1.18 0.00 4.33 1.56 -0.27 -0.54 117.12 123.26 1iag n MET 116 Ca 0.00 0.43 0.00 0.00 -0.27 0.00 0.00 57.70 57.86 1iag n MET 116 Cb 0.22 -2.10 0.00 0.00 2.15 0.00 0.00 33.22 33.49 1iag n MET 116 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1iag s ASN 118 N -1.63 6.84 0.27 0.00 3.84 0.30 -4.90 114.94 119.66 1iag s ASN 118 Ca 0.00 2.40 -0.01 0.00 0.21 0.00 0.00 52.86 55.46 1iag s ASN 118 Cb 0.00 -2.60 0.60 0.00 -0.55 0.00 0.00 41.25 38.70 1iag s ASN 118 CO 0.00 -0.60 1.67 -0.65 -2.79 0.00 0.00 177.10 174.74 1iag h PRO 119 N 5.90 0.27 0.01 0.43 0.11 -1.95 -2.08 132.00 134.69 1iag h PRO 119 Ca -0.44 -0.02 -0.38 0.00 0.11 0.00 0.00 66.00 65.28 1iag h PRO 119 Cb 1.21 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 1iag h PRO 119 CO 0.81 0.18 -2.39 -2.13 -0.21 0.00 0.00 178.00 174.26 1iag n ARG 120 N -5.16 0.67 0.00 1.05 0.63 -1.26 -3.93 116.66 108.67 1iag n ARG 120 Ca 0.18 0.10 0.12 0.00 -0.92 0.00 0.00 57.85 57.33 1iag n ARG 120 Cb 0.58 -1.54 0.16 0.00 0.45 0.00 0.00 32.46 32.11 1iag n ARG 120 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1iag n SER 121 N -3.06 1.75 -4.05 6.15 7.64 -1.21 -4.40 113.62 116.45 1iag n SER 121 Ca -0.39 -1.35 -0.43 0.00 1.01 0.00 0.00 58.87 57.71 1iag n SER 121 Cb 1.06 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 64.57 1iag n SER 121 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1iag n SER 122 N -0.10 4.63 -3.51 6.43 2.88 -0.79 -4.45 113.62 118.71 1iag n SER 122 Ca 0.11 -2.95 -0.16 0.00 -1.33 0.00 0.00 58.87 54.54 1iag n SER 122 Cb 0.43 -1.61 -0.05 0.00 -0.75 0.00 0.00 64.21 62.23 1iag n SER 122 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1iag s VAL 123 N 2.37 0.01 0.24 2.46 0.11 -1.26 -2.55 120.40 121.77 1iag s VAL 123 Ca 0.46 -0.05 -0.10 0.00 -2.93 0.00 0.00 61.98 59.36 1iag s VAL 123 Cb 0.08 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 1iag s VAL 123 CO -0.02 -0.03 0.40 -0.83 -3.33 0.00 0.00 175.10 171.30 1iag s GLY 124 N -1.66 0.74 -0.01 6.54 0.00 -1.03 -3.37 107.32 108.53 1iag s GLY 124 Ca -0.08 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 43.61 1iag s GLY 124 CO 0.03 -0.80 -0.09 -0.26 0.00 0.00 0.00 173.10 171.98 1iag s ILE 125 N -4.05 0.68 -0.11 0.90 -4.36 0.08 -1.79 121.20 112.56 1iag s ILE 125 Ca 0.26 -0.37 -0.01 0.00 -0.26 0.00 0.00 60.65 60.27 1iag s ILE 125 Cb 0.01 -0.57 0.03 0.00 1.25 0.00 0.00 42.46 43.18 1iag s ILE 125 CO 0.10 0.19 -0.04 -0.69 0.24 0.00 0.00 174.94 174.74 1iag s VAL 126 N -0.19 0.74 -0.01 8.37 1.01 0.18 -1.43 120.40 129.07 1iag s VAL 126 Ca 0.03 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 1iag s VAL 126 Cb -0.03 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 1iag s VAL 126 CO -0.00 0.27 1.07 -0.75 0.00 0.00 0.00 175.10 175.68 1iag s LYS 127 N 1.82 4.47 -0.89 2.72 2.20 -0.09 -1.52 119.74 128.45 1iag s LYS 127 Ca 0.04 1.53 -0.23 0.00 -0.36 0.00 0.00 55.97 56.96 1iag s LYS 127 Cb -0.13 -3.46 -0.14 0.00 -1.51 0.00 0.00 37.83 32.58 1iag s LYS 127 CO -0.07 -0.21 1.92 -3.47 -0.36 0.00 0.00 175.35 173.16 1iag n ASP 128 N 4.32 2.67 -0.05 1.43 2.03 0.10 -4.71 116.55 122.35 1iag n ASP 128 Ca 0.08 -2.68 0.13 0.00 0.52 0.00 0.00 54.79 52.84 1iag n ASP 128 Cb 0.49 -1.31 0.47 0.00 -0.72 0.00 0.00 41.12 40.05 1iag n ASP 128 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iag n HIS 129 N 9.89 0.00 -3.74 -0.67 1.44 -1.26 -4.89 115.22 115.99 1iag n HIS 129 Ca 0.48 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 56.06 1iag n HIS 129 Cb 0.43 -0.29 -0.08 0.00 0.12 0.00 0.00 29.99 30.16 1iag n HIS 129 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1iag s SER 130 N -2.82 -0.19 0.46 4.39 0.15 -1.26 -5.03 113.70 109.40 1iag s SER 130 Ca 0.18 0.00 0.26 0.00 0.70 0.00 0.00 55.95 57.08 1iag s SER 130 Cb 0.19 0.34 1.00 0.00 -1.71 0.00 0.00 66.02 65.84 1iag s SER 130 CO 0.58 -0.53 1.86 1.55 1.20 0.00 0.00 173.24 177.89 1iag h PRO 131 N 3.53 0.00 -6.25 5.44 0.13 -2.02 -3.43 132.00 129.40 1iag h PRO 131 Ca -0.30 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.27 1iag h PRO 131 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1iag h PRO 131 CO 0.42 0.18 0.74 0.42 -0.23 0.00 0.00 178.00 179.54 1iag s ILE 132 N -3.67 4.34 0.25 -3.56 -1.09 -1.26 -4.93 121.20 111.29 1iag s ILE 132 Ca 0.01 1.65 -0.03 0.00 -2.23 0.00 0.00 60.65 60.04 1iag s ILE 132 Cb 0.10 -4.06 0.22 0.00 -1.58 0.00 0.00 42.46 37.14 1iag s ILE 132 CO 0.62 -0.04 1.81 0.78 -1.23 0.00 0.00 174.94 176.88 1iag h ASN 133 N 7.60 0.70 -0.43 3.58 2.35 -1.98 -2.34 115.58 125.05 1iag h ASN 133 Ca -0.31 0.05 0.07 0.00 -0.55 0.00 0.00 56.30 55.56 1iag h ASN 133 Cb 1.14 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 39.36 1iag h ASN 133 CO 0.91 0.39 0.05 0.25 -1.65 0.00 0.00 177.43 177.37 1iag h LEU 134 N 0.81 -0.08 -1.20 1.61 5.85 -1.96 0.58 115.31 120.93 1iag h LEU 134 Ca 0.41 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 59.14 1iag h LEU 134 Cb 0.39 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1iag h LEU 134 CO -0.25 -0.01 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.48 1iag h LEU 135 N 0.17 0.19 0.10 2.25 4.07 -1.80 -0.83 115.31 119.46 1iag h LEU 135 Ca 0.21 -0.06 -0.28 0.00 0.08 0.00 0.00 57.88 57.83 1iag h LEU 135 Cb 0.29 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1iag h LEU 135 CO -0.31 0.48 -1.39 0.58 -1.08 0.00 0.00 178.44 176.72 1iag h VAL 136 N 0.17 1.32 -0.08 1.22 2.07 -1.42 -3.19 116.25 116.34 1iag h VAL 136 Ca 0.03 -2.95 -0.08 0.00 0.82 0.00 0.00 66.70 64.52 1iag h VAL 136 Cb 0.60 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1iag h VAL 136 CO 0.04 0.84 -0.31 0.00 0.02 0.00 0.00 177.57 178.17 1iag h ALA 137 N 0.60 1.34 -0.36 1.67 0.00 -0.45 -1.44 119.26 120.61 1iag h ALA 137 Ca -0.18 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 1iag h ALA 137 Cb 1.98 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1iag h ALA 137 CO 0.17 0.47 -0.26 0.28 0.00 0.00 0.00 179.25 179.91 1iag h VAL 138 N 0.13 1.27 -0.47 0.00 2.07 -1.22 -0.71 116.25 117.33 1iag h VAL 138 Ca 0.02 -1.37 -0.13 0.00 0.82 0.00 0.00 66.70 66.04 1iag h VAL 138 Cb 0.62 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1iag h VAL 138 CO 0.04 0.45 -0.20 0.74 0.02 0.00 0.00 177.57 178.63 1iag h THR 139 N 0.63 1.27 -0.27 2.57 2.02 -1.40 0.09 112.91 117.83 1iag h THR 139 Ca 0.08 -1.36 -0.16 0.00 0.77 0.00 0.00 66.41 65.74 1iag h THR 139 Cb 0.76 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1iag h THR 139 CO 0.06 0.47 -0.48 -0.03 0.37 0.00 0.00 175.52 175.91 1iag h MET 140 N 0.80 0.80 -0.17 6.66 -1.53 -1.16 -1.51 114.93 118.82 1iag h MET 140 Ca 0.11 -0.50 -0.03 0.00 -3.44 0.00 0.00 59.70 55.84 1iag h MET 140 Cb 0.77 0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.87 1iag h MET 140 CO 0.06 1.13 -0.02 0.00 0.14 0.00 0.00 176.91 178.22 1iag h ALA 141 N 0.66 1.65 0.23 0.39 0.00 -1.01 -1.77 119.26 119.41 1iag h ALA 141 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1iag h ALA 141 Cb 1.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1iag h ALA 141 CO 0.11 0.26 -0.11 1.25 0.00 0.00 0.00 179.25 180.76 1iag h HIS 142 N 0.25 -0.29 -0.50 0.00 6.17 -0.60 -0.92 115.15 119.26 1iag h HIS 142 Ca 0.06 -0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.18 1iag h HIS 142 Cb 0.21 0.09 -0.05 0.00 2.52 0.00 0.00 27.41 30.18 1iag h HIS 142 CO 0.00 0.03 0.24 0.93 0.71 0.00 0.00 177.93 179.85 1iag h GLU 143 N -0.62 0.46 0.00 5.26 4.39 -1.14 0.18 114.58 123.11 1iag h GLU 143 Ca -0.03 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1iag h GLU 143 Cb 0.45 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1iag h GLU 143 CO 0.05 0.30 -0.08 1.25 -1.16 0.00 0.00 179.01 179.37 1iag h LEU 144 N 0.47 0.00 0.04 1.33 5.85 -1.36 -1.82 115.31 119.82 1iag h LEU 144 Ca 0.23 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1iag h LEU 144 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1iag h LEU 144 CO -0.17 0.08 -0.02 1.23 -0.34 0.00 0.00 178.44 179.22 1iag h GLY 145 N 0.44 -0.05 0.60 3.75 0.00 0.77 -2.42 103.07 106.16 1iag h GLY 145 Ca -0.00 0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.41 1iag h GLY 145 CO 0.01 -0.02 0.27 0.45 0.00 0.00 0.00 176.54 177.25 1iag h HIS 146 N -0.42 0.49 0.00 5.60 3.86 -0.54 -1.09 115.15 123.04 1iag h HIS 146 Ca -0.00 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1iag h HIS 146 Cb 0.39 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.73 1iag h HIS 146 CO 0.05 0.20 -0.02 -0.91 0.86 0.00 0.00 177.93 178.11 1iag h ASN 147 N 0.50 0.00 -0.61 2.45 -0.26 -1.14 0.07 115.58 116.60 1iag h ASN 147 Ca 0.27 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 1iag h ASN 147 Cb 0.23 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.49 1iag h ASN 147 CO -0.21 0.02 0.00 0.18 -1.06 0.00 0.00 177.43 176.36 1iag n LEU 148 N -3.44 4.26 0.00 1.61 4.77 -0.48 -1.11 117.00 122.61 1iag n LEU 148 Ca -0.03 -2.15 0.00 0.00 -0.03 0.00 0.00 56.01 53.81 1iag n LEU 148 Cb 0.12 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1iag n LEU 148 CO 0.25 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1iag n GLY 149 N 1.16 2.17 3.77 -0.72 0.00 -0.69 -4.33 105.19 106.54 1iag n GLY 149 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1iag n GLY 149 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iag s MET 150 N -0.83 4.00 0.50 1.61 -1.94 -0.81 -4.71 119.30 117.12 1iag s MET 150 Ca 0.00 2.23 0.06 0.00 -1.71 0.00 0.00 55.69 56.27 1iag s MET 150 Cb 0.00 -2.80 0.01 0.00 2.01 0.00 0.00 34.83 34.05 1iag s MET 150 CO 0.00 -0.49 0.33 -1.21 -0.01 0.00 0.00 175.02 173.64 1iag s GLU 151 N -2.19 2.28 0.43 2.03 8.01 -1.26 -4.33 118.70 123.67 1iag s GLU 151 Ca 0.56 -1.96 -0.23 0.00 0.01 0.00 0.00 54.97 53.35 1iag s GLU 151 Cb -0.40 -2.07 -0.08 0.00 -4.31 0.00 0.00 34.13 27.27 1iag s GLU 151 CO 0.51 -0.46 1.08 -1.01 0.01 0.00 0.00 175.26 175.39 1iag s HIS 152 N -2.72 3.12 0.89 1.61 3.76 -1.26 -4.89 115.29 115.80 1iag s HIS 152 Ca 0.35 1.60 -0.12 0.00 -0.15 0.00 0.00 55.06 56.74 1iag s HIS 152 Cb -0.01 -3.19 0.17 0.00 1.11 0.00 0.00 32.58 30.66 1iag s HIS 152 CO 0.21 -0.90 1.24 -0.51 -0.85 0.00 0.00 174.74 173.93 1iag s ASP 153 N -1.57 3.54 0.41 1.40 1.01 0.11 -5.00 116.67 116.58 1iag s ASP 153 Ca 0.61 0.20 -0.22 0.00 0.71 0.00 0.00 52.55 53.85 1iag s ASP 153 Cb -0.23 -0.37 -0.10 0.00 1.01 0.00 0.00 42.92 43.22 1iag s ASP 153 CO 0.28 -2.45 0.97 -0.83 0.21 0.00 0.00 175.17 173.36 1iag s GLY 154 N -4.82 2.52 0.48 0.21 0.00 -1.26 -4.27 107.32 100.17 1iag s GLY 154 Ca 0.71 0.48 0.42 0.00 0.00 0.00 0.00 44.72 46.33 1iag s GLY 154 CO 0.51 0.81 1.38 1.17 0.00 0.00 0.00 173.10 176.97 1iag n LYS 155 N -0.41 -0.01 -0.39 2.90 4.81 -1.26 -0.12 118.16 123.69 1iag n LYS 155 Ca 0.06 0.99 0.07 0.00 -0.87 0.00 0.00 58.31 58.56 1iag n LYS 155 Cb 0.53 -2.22 0.22 0.00 0.02 0.00 0.00 35.03 33.58 1iag n LYS 155 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1iag n ASP 156 N -3.83 3.20 -4.75 3.14 8.00 -1.26 -4.89 116.55 116.16 1iag n ASP 156 Ca 0.39 -3.16 -0.41 0.00 0.71 0.00 0.00 54.79 52.31 1iag n ASP 156 Cb 1.73 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 42.29 1iag n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iag s LEU 158 N -0.55 2.10 -0.57 0.00 1.02 -1.26 -2.85 118.68 116.57 1iag s LEU 158 Ca 0.62 -0.24 0.04 0.00 0.02 0.00 0.00 54.13 54.58 1iag s LEU 158 Cb -0.47 -0.05 0.16 0.00 0.02 0.00 0.00 46.19 45.85 1iag s LEU 158 CO 0.48 -0.10 0.38 -0.60 0.02 0.00 0.00 176.35 176.53 1iag s ARG 159 N -0.65 1.89 4.03 1.70 6.06 0.19 -4.87 118.95 127.29 1iag s ARG 159 Ca -0.05 -2.76 0.00 0.00 -2.50 0.00 0.00 55.73 50.42 1iag s ARG 159 Cb -0.05 -2.86 0.00 0.00 0.06 0.00 0.00 34.95 32.10 1iag s ARG 159 CO -0.00 -1.25 0.00 0.41 -2.50 0.00 0.00 175.30 171.96 1iag n GLY 160 N 2.62 0.90 0.00 8.12 0.00 -1.26 -2.69 105.19 112.88 1iag n GLY 160 Ca 0.17 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.40 1iag n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iag n ALA 161 N 6.71 3.80 -1.78 4.61 0.00 -1.26 -4.96 120.51 127.63 1iag n ALA 161 Ca 0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 53.44 52.68 1iag n ALA 161 Cb 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 1iag n ALA 161 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1iag s SER 162 N -3.03 6.57 0.12 0.00 0.01 -1.10 -4.88 113.70 111.39 1iag s SER 162 Ca 0.10 2.05 -0.28 0.00 1.31 0.00 0.00 55.95 59.13 1iag s SER 162 Cb 0.17 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.76 1iag s SER 162 CO 0.74 -0.63 0.89 -0.76 0.41 0.00 0.00 173.24 173.89 1iag s LEU 163 N -2.91 4.52 -0.04 2.44 1.02 0.17 0.53 118.68 124.41 1iag s LEU 163 Ca 0.61 1.71 -0.30 0.00 0.02 0.00 0.00 54.13 56.17 1iag s LEU 163 Cb -0.22 -3.47 -0.04 0.00 0.02 0.00 0.00 46.19 42.48 1iag s LEU 163 CO 0.27 0.02 1.28 0.00 0.02 0.00 0.00 176.35 177.93 1iag h ILE 165 N 4.98 0.99 -0.18 0.00 2.04 -1.78 -2.30 117.51 121.26 1iag h ILE 165 Ca -0.35 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 1iag h ILE 165 Cb 1.17 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1iag h ILE 165 CO 0.89 0.19 0.07 0.23 0.00 0.00 0.00 178.15 179.53 1iag n MET 166 N -4.55 1.62 -2.00 2.37 2.81 -1.26 -4.83 117.12 111.28 1iag n MET 166 Ca 0.16 -0.71 -0.37 0.00 -1.81 0.00 0.00 57.70 54.98 1iag n MET 166 Cb 0.28 -1.49 0.03 0.00 -0.71 0.00 0.00 33.22 31.33 1iag n MET 166 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1iag s ARG 167 N -1.11 3.09 0.55 0.03 0.52 -0.87 0.06 118.95 121.23 1iag s ARG 167 Ca 0.13 1.89 0.28 0.00 -0.52 0.00 0.00 55.73 57.51 1iag s ARG 167 Cb 0.10 -2.04 1.46 0.00 0.52 0.00 0.00 34.95 34.99 1iag s ARG 167 CO 0.03 -1.13 1.96 -1.35 0.02 0.00 0.00 175.30 174.84 1iag h PRO 168 N 1.13 0.00 -3.98 3.54 0.11 -1.87 -3.44 132.00 127.49 1iag h PRO 168 Ca -0.50 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 1iag h PRO 168 Cb 1.29 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.26 1iag h PRO 168 CO 0.56 0.00 -0.48 0.20 -0.21 0.00 0.00 178.00 178.07 1iag s GLY 169 N -3.97 0.27 -0.20 -0.55 0.00 -1.26 -5.14 107.32 96.47 1iag s GLY 169 Ca -0.05 -0.86 -0.23 0.00 0.00 0.00 0.00 44.72 43.58 1iag s GLY 169 CO 0.67 -1.00 0.75 -2.27 0.00 0.00 0.00 173.10 171.24 1iag s LEU 170 N -2.89 4.13 -0.22 0.66 2.96 -1.26 -5.04 118.68 117.02 1iag s LEU 170 Ca 0.07 0.99 -0.09 0.00 -0.22 0.00 0.00 54.13 54.87 1iag s LEU 170 Cb 0.06 -3.08 -0.05 0.00 0.50 0.00 0.00 46.19 43.63 1iag s LEU 170 CO -0.10 -0.38 0.12 -0.89 -1.32 0.00 0.00 176.35 173.78 1iag s THR 171 N 2.27 5.15 0.51 3.68 2.01 -1.26 -5.06 115.64 122.94 1iag s THR 171 Ca 0.33 0.10 -0.22 0.00 0.31 0.00 0.00 61.69 62.21 1iag s THR 171 Cb -0.16 -3.38 -0.06 0.00 0.01 0.00 0.00 72.50 68.92 1iag s THR 171 CO 0.10 0.39 1.32 -2.16 -0.69 0.00 0.00 174.62 173.58 1iag s PRO 172 N 0.81 3.35 -0.02 4.92 0.04 -1.26 -4.93 135.00 137.91 1iag s PRO 172 Ca 0.06 2.16 -0.10 0.00 0.04 0.00 0.00 61.00 63.16 1iag s PRO 172 Cb -0.13 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 32.10 1iag s PRO 172 CO 0.02 -1.00 0.46 0.41 0.04 0.00 0.00 177.00 176.93 1iag n GLY 173 N 0.65 0.38 0.01 0.56 0.00 -1.26 -5.06 105.19 100.47 1iag n GLY 173 Ca 0.09 -0.89 0.03 0.00 0.00 0.00 0.00 46.02 45.25 1iag n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iag n ARG 174 N -0.33 0.45 -4.40 1.61 1.74 -1.26 -5.00 116.66 109.47 1iag n ARG 174 Ca 0.02 -0.07 -0.19 0.00 -0.77 0.00 0.00 57.85 56.84 1iag n ARG 174 Cb 0.20 -1.18 -0.15 0.00 -1.02 0.00 0.00 32.46 30.31 1iag n ARG 174 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1iag s SER 175 N -2.97 1.15 -0.07 0.55 0.15 -1.26 -5.08 113.70 106.17 1iag s SER 175 Ca -0.03 -0.18 -0.06 0.00 0.70 0.00 0.00 55.95 56.38 1iag s SER 175 Cb 0.05 -0.17 0.02 0.00 -1.71 0.00 0.00 66.02 64.21 1iag s SER 175 CO 0.32 0.11 0.18 -0.31 1.20 0.00 0.00 173.24 174.74 1iag s TYR 176 N -0.13 -0.21 0.17 3.44 1.51 -1.26 0.45 117.35 121.33 1iag s TYR 176 Ca 0.02 0.50 -0.17 0.00 -1.01 0.00 0.00 57.07 56.41 1iag s TYR 176 Cb -0.05 0.06 0.03 0.00 -0.11 0.00 0.00 41.96 41.90 1iag s TYR 176 CO -0.00 -0.10 0.48 -1.83 -1.11 0.00 0.00 175.55 172.99 1iag s GLU 177 N 0.18 1.26 0.08 -0.62 -1.05 -0.86 -4.89 118.70 112.80 1iag s GLU 177 Ca -0.01 -0.78 -0.31 0.00 -0.15 0.00 0.00 54.97 53.72 1iag s GLU 177 Cb -0.02 0.51 -0.06 0.00 -0.44 0.00 0.00 34.13 34.11 1iag s GLU 177 CO -0.00 -0.52 1.24 -0.06 0.95 0.00 0.00 175.26 176.86 1iag s PHE 178 N -3.84 3.40 1.22 4.83 0.08 -1.26 -2.04 117.98 120.36 1iag s PHE 178 Ca 0.07 1.23 -0.18 0.00 0.12 0.00 0.00 56.93 58.17 1iag s PHE 178 Cb 0.00 -3.47 0.29 0.00 -0.57 0.00 0.00 43.02 39.27 1iag s PHE 178 CO -0.07 -1.50 1.05 -1.54 -0.10 0.00 0.00 175.22 173.06 1iag s SER 179 N 1.05 0.68 0.16 1.36 1.04 -1.26 -4.89 113.70 111.83 1iag s SER 179 Ca 0.60 0.91 -0.11 0.00 0.48 0.00 0.00 55.95 57.83 1iag s SER 179 Cb -0.31 -1.34 0.02 0.00 0.10 0.00 0.00 66.02 64.49 1iag s SER 179 CO 0.30 -4.30 1.59 0.44 0.98 0.00 0.00 173.24 172.24 1iag h ASP 180 N -2.70 0.96 -0.80 7.02 3.32 -1.97 -2.87 116.42 119.38 1iag h ASP 180 Ca -0.49 -0.34 0.01 0.00 0.02 0.00 0.00 57.03 56.24 1iag h ASP 180 Cb 1.32 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 1iag h ASP 180 CO 0.39 1.07 0.52 0.44 -1.72 0.00 0.00 179.24 179.95 1iag h ASP 181 N 0.83 0.90 -0.92 6.45 5.19 -1.99 -1.81 116.42 125.06 1iag h ASP 181 Ca 0.14 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1iag h ASP 181 Cb 0.62 -0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.87 1iag h ASP 181 CO 0.04 0.64 0.55 0.28 -3.12 0.00 0.00 179.24 177.63 1iag h SER 182 N 1.06 1.12 0.05 6.45 0.02 -1.86 0.61 113.55 120.99 1iag h SER 182 Ca 0.30 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 1iag h SER 182 Cb -0.09 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.16 1iag h SER 182 CO -0.08 0.86 -0.14 0.24 -1.14 0.00 0.00 176.83 176.57 1iag h MET 183 N 1.27 0.20 0.02 3.45 2.86 -1.25 -1.90 114.93 119.60 1iag h MET 183 Ca 0.33 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1iag h MET 183 Cb -0.04 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1iag h MET 183 CO -0.06 0.35 -0.01 0.78 1.06 0.00 0.00 176.91 179.03 1iag h GLY 184 N 0.72 -0.03 0.77 8.32 0.00 -0.12 -1.63 103.07 111.11 1iag h GLY 184 Ca 0.04 0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.44 1iag h GLY 184 CO 0.02 -0.01 0.65 -0.97 0.00 0.00 0.00 176.54 176.23 1iag h TYR 185 N -0.46 1.20 -0.45 5.60 0.05 -0.97 -0.19 116.97 121.76 1iag h TYR 185 Ca -0.00 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.72 1iag h TYR 185 Cb 0.43 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1iag h TYR 185 CO 0.07 0.63 -0.06 -0.92 -1.05 0.00 0.00 178.16 176.83 1iag h TYR 186 N 1.18 0.92 -0.22 4.88 3.20 -1.31 -1.56 116.97 124.07 1iag h TYR 186 Ca 0.43 -0.18 -0.08 0.00 3.14 0.00 0.00 58.73 62.03 1iag h TYR 186 Cb 0.14 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1iag h TYR 186 CO -0.00 0.91 -0.22 0.37 -1.64 0.00 0.00 178.16 177.59 1iag h GLN 187 N 0.67 0.40 0.26 1.82 4.15 -0.37 -0.78 115.11 121.26 1iag h GLN 187 Ca 0.12 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1iag h GLN 187 Cb 0.59 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1iag h GLN 187 CO 0.04 0.60 -0.12 -0.22 -1.93 0.00 0.00 178.83 177.19 1iag h LYS 188 N 0.36 -0.34 -0.59 1.69 3.64 -0.99 -1.12 116.57 119.22 1iag h LYS 188 Ca 0.06 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.58 1iag h LYS 188 Cb 0.58 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.39 1iag h LYS 188 CO 0.04 -0.04 0.09 0.35 -2.27 0.00 0.00 179.45 177.62 1iag h PHE 189 N -0.64 0.13 -0.32 1.91 3.57 -0.98 0.28 116.94 120.89 1iag h PHE 189 Ca -0.04 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1iag h PHE 189 Cb 0.46 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 1iag h PHE 189 CO 0.02 -0.07 0.09 1.25 -2.23 0.00 0.00 178.31 177.37 1iag h LEU 190 N 0.21 0.08 -0.45 0.59 5.85 -1.14 -0.15 115.31 120.30 1iag h LEU 190 Ca 0.31 0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.90 1iag h LEU 190 Cb 0.47 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1iag h LEU 190 CO -0.43 0.08 -0.75 0.78 -0.34 0.00 0.00 178.44 177.78 1iag h ASN 191 N 0.22 0.23 0.86 1.25 2.35 -0.03 -0.46 115.58 120.01 1iag h ASN 191 Ca 0.14 -0.16 -0.21 0.00 -0.55 0.00 0.00 56.30 55.52 1iag h ASN 191 Cb 0.13 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1iag h ASN 191 CO -0.16 0.90 -0.98 -0.61 -1.65 0.00 0.00 177.43 174.93 1iag h GLN 192 N 0.12 0.06 0.00 0.81 4.15 -0.32 -3.39 115.11 116.54 1iag h GLN 192 Ca -0.03 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1iag h GLN 192 Cb 1.33 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.05 1iag h GLN 192 CO 0.11 0.98 -0.98 0.66 -1.93 0.00 0.00 178.83 177.68 1iag n TYR 193 N -3.46 0.00 -3.87 3.99 4.01 -0.08 -5.03 117.16 112.72 1iag n TYR 193 Ca -0.02 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.41 1iag n TYR 193 Cb 0.90 -0.07 0.01 0.00 -0.31 0.00 0.00 39.34 39.87 1iag n TYR 193 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1iag n LYS 194 N -1.53 -1.81 -1.61 -0.72 4.76 -0.18 -4.77 118.16 112.30 1iag n LYS 194 Ca -0.00 0.36 -0.45 0.00 -2.87 0.00 0.00 58.31 55.35 1iag n LYS 194 Cb 0.10 -4.00 -0.04 0.00 -1.84 0.00 0.00 35.03 29.25 1iag n LYS 194 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1iag n PRO 195 N -4.42 2.08 0.08 1.97 -0.04 -1.26 -4.85 135.00 128.55 1iag n PRO 195 Ca -0.19 0.67 0.13 0.00 -0.04 0.00 0.00 63.50 64.07 1iag n PRO 195 Cb 0.63 -2.94 0.36 0.00 -0.04 0.00 0.00 33.50 31.51 1iag n PRO 195 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1iag n GLN 196 N 7.94 0.23 0.28 0.54 6.02 -1.26 -3.70 117.38 127.41 1iag n GLN 196 Ca 0.28 0.14 0.17 0.00 -0.01 0.00 0.00 57.00 57.58 1iag n GLN 196 Cb 0.37 -1.72 0.71 0.00 1.02 0.00 0.00 30.24 30.62 1iag n GLN 196 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iag n ILE 198 N -3.15 0.23 0.06 0.00 0.13 -1.24 -4.11 119.36 111.27 1iag n ILE 198 Ca 0.00 -0.39 -0.18 0.00 -1.10 0.00 0.00 62.75 61.08 1iag n ILE 198 Cb 0.30 0.46 -0.14 0.00 -0.84 0.00 0.00 39.64 39.42 1iag n ILE 198 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 1iag h LEU 199 N 2.51 0.41 -9.78 9.51 3.38 -1.63 -1.30 115.31 118.41 1iag h LEU 199 Ca 0.00 -0.62 -0.51 0.00 0.09 0.00 0.00 57.88 56.85 1iag h LEU 199 Cb 0.55 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 41.18 1iag h LEU 199 CO 0.00 1.52 0.49 0.54 0.09 0.00 0.00 178.44 181.08 1iag s ASN 200 N -6.99 7.23 -0.21 -0.43 4.22 -1.26 -4.79 114.94 112.70 1iag s ASN 200 Ca -0.11 2.26 -0.29 0.00 -2.14 0.00 0.00 52.86 52.58 1iag s ASN 200 Cb 0.07 -2.62 0.01 0.00 1.28 0.00 0.00 41.25 39.98 1iag s ASN 200 CO 0.85 -0.19 1.07 -0.54 -2.04 0.00 0.00 177.10 176.25 1iag s LYS 201 N -1.23 4.27 0.00 3.55 3.01 -1.26 -4.64 119.74 123.44 1iag s LYS 201 Ca 0.46 1.40 0.00 0.00 -1.01 0.00 0.00 55.97 56.82 1iag s LYS 201 Cb -0.32 -3.65 0.00 0.00 -1.01 0.00 0.00 37.83 32.85 1iag s LYS 201 CO 0.40 -0.62 0.12 -2.30 0.51 0.00 0.00 175.35 173.46