#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iaq s THR 2 N 0.00 4.66 -0.06 3.17 2.01 -1.23 -4.91 115.64 119.27 1iaq s THR 2 Ca 0.00 1.02 0.05 0.00 0.31 0.00 0.00 61.69 63.07 1iaq s THR 2 Cb 0.00 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1iaq s THR 2 CO 0.00 -0.08 -0.21 -0.70 -0.69 0.00 0.00 174.62 172.94 1iaq s GLU 3 N -2.72 2.57 -0.06 4.92 2.12 -1.26 -0.95 118.70 123.32 1iaq s GLU 3 Ca 0.51 -0.83 0.04 0.00 0.36 0.00 0.00 54.97 55.05 1iaq s GLU 3 Cb -0.12 -2.25 -0.00 0.00 0.26 0.00 0.00 34.13 32.02 1iaq s GLU 3 CO 0.18 0.45 -0.19 0.71 -0.54 0.00 0.00 175.26 175.88 1iaq s TYR 4 N -0.31 1.92 -0.37 5.30 4.12 -0.28 -4.96 117.35 122.76 1iaq s TYR 4 Ca 0.01 -0.62 -0.07 0.00 0.02 0.00 0.00 57.07 56.41 1iaq s TYR 4 Cb -0.13 -1.30 0.06 0.00 -1.52 0.00 0.00 41.96 39.07 1iaq s TYR 4 CO 0.02 -0.23 0.17 0.15 0.02 0.00 0.00 175.55 175.69 1iaq s LYS 5 N 0.13 2.57 -0.12 -0.62 1.02 -1.26 -0.83 119.74 120.63 1iaq s LYS 5 Ca -0.07 -1.32 -0.07 0.00 0.02 0.00 0.00 55.97 54.53 1iaq s LYS 5 Cb -0.13 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 1iaq s LYS 5 CO 0.04 -0.80 0.12 -0.51 -0.92 0.00 0.00 175.35 173.28 1iaq s LEU 6 N 1.39 4.25 -0.21 3.17 1.43 -0.29 0.38 118.68 128.81 1iaq s LEU 6 Ca 0.01 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 1iaq s LEU 6 Cb -0.21 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.00 1iaq s LEU 6 CO 0.02 0.38 -0.16 -0.69 0.23 0.00 0.00 176.35 176.13 1iaq s VAL 7 N -0.84 2.19 -0.21 -1.59 1.01 0.77 -1.73 120.40 120.00 1iaq s VAL 7 Ca 0.14 -1.11 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 1iaq s VAL 7 Cb -0.12 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1iaq s VAL 7 CO 0.03 0.36 0.48 -0.69 0.00 0.00 0.00 175.10 175.28 1iaq s VAL 8 N 1.25 5.13 0.22 2.92 1.01 -1.16 -0.85 120.40 128.92 1iaq s VAL 8 Ca 0.01 0.86 0.06 0.00 0.00 0.00 0.00 61.98 62.92 1iaq s VAL 8 Cb -0.15 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1iaq s VAL 8 CO -0.10 0.18 -0.10 0.68 0.00 0.00 0.00 175.10 175.77 1iaq s VAL 9 N 1.66 1.54 0.00 2.92 -7.23 -0.54 -3.02 120.40 115.73 1iaq s VAL 9 Ca 0.22 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 1iaq s VAL 9 Cb -0.15 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.62 1iaq s VAL 9 CO 0.09 -0.50 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 1iaq n GLY 10 N -0.42 2.88 3.58 2.32 0.00 -1.26 -1.45 105.19 110.85 1iaq n GLY 10 Ca -0.07 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 1iaq n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iaq n ALA 11 N -1.13 -0.09 -1.72 4.61 0.00 -1.25 -4.13 120.51 116.79 1iaq n ALA 11 Ca 0.00 0.12 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 1iaq n ALA 11 Cb 0.00 -2.04 -0.02 0.00 0.00 0.00 0.00 19.45 17.40 1iaq n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iaq n GLY 12 N 1.33 1.08 2.14 0.00 0.00 -0.88 -2.98 105.19 105.88 1iaq n GLY 12 Ca 0.11 0.45 -0.05 0.00 0.00 0.00 0.00 46.02 46.52 1iaq n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iaq n GLY 13 N 1.88 0.60 0.06 -0.02 0.00 -1.26 -4.93 105.19 101.52 1iaq n GLY 13 Ca 0.08 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.44 1iaq n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1iaq n VAL 14 N -3.19 0.33 0.00 1.61 0.24 -1.16 -4.94 118.33 111.22 1iaq n VAL 14 Ca -0.06 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1iaq n VAL 14 Cb 0.28 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 1iaq n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iaq n GLY 15 N 1.35 1.51 0.26 7.63 0.00 -1.26 -4.55 105.19 110.12 1iaq n GLY 15 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1iaq n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iaq h LYS 16 N 0.00 -0.26 -0.21 1.61 1.57 -1.92 -1.90 116.57 115.46 1iaq h LYS 16 Ca 0.00 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1iaq h LYS 16 Cb 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1iaq h LYS 16 CO 0.00 -0.17 0.02 0.77 -0.57 0.00 0.00 179.45 179.50 1iaq h SER 17 N -0.27 0.35 -0.75 0.86 0.02 -1.95 -2.60 113.55 109.21 1iaq h SER 17 Ca 0.10 -0.28 0.17 0.00 -0.84 0.00 0.00 61.79 60.95 1iaq h SER 17 Cb 0.43 -0.09 -0.12 0.00 0.14 0.00 0.00 62.40 62.76 1iaq h SER 17 CO -0.30 0.54 0.15 0.00 -1.14 0.00 0.00 176.83 176.08 1iaq h ALA 18 N 0.82 0.94 0.82 3.77 0.00 -1.91 0.89 119.26 124.59 1iaq h ALA 18 Ca 0.06 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1iaq h ALA 18 Cb 0.34 0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1iaq h ALA 18 CO 0.01 -0.37 -0.39 -0.07 0.00 0.00 0.00 179.25 178.42 1iaq h LEU 19 N 0.23 -0.93 -0.45 0.00 3.38 -1.26 -1.23 115.31 115.04 1iaq h LEU 19 Ca 0.43 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.51 1iaq h LEU 19 Cb 0.75 0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.64 1iaq h LEU 19 CO -0.55 -0.65 -0.22 0.74 0.09 0.00 0.00 178.44 177.85 1iaq h THR 20 N -1.13 0.36 0.00 0.22 2.02 -0.96 0.45 112.91 113.86 1iaq h THR 20 Ca -0.11 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1iaq h THR 20 Cb 0.85 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1iaq h THR 20 CO 0.18 0.00 -0.04 0.40 0.37 0.00 0.00 175.52 176.43 1iaq h ILE 21 N -0.13 0.15 0.01 3.11 2.04 -0.84 -1.80 117.51 120.05 1iaq h ILE 21 Ca 0.21 -0.44 -0.19 0.00 1.00 0.00 0.00 64.86 65.44 1iaq h ILE 21 Cb 0.46 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1iaq h ILE 21 CO -0.53 0.04 -0.89 -0.61 0.00 0.00 0.00 178.15 176.16 1iaq h GLN 22 N 0.00 0.06 0.13 2.37 5.75 0.33 -0.96 115.11 122.79 1iaq h GLN 22 Ca -0.00 -0.07 -0.30 0.00 -0.15 0.00 0.00 58.65 58.12 1iaq h GLN 22 Cb 0.37 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.94 1iaq h GLN 22 CO 0.01 0.91 -1.50 1.25 -2.65 0.00 0.00 178.83 176.85 1iaq h LEU 23 N 0.03 0.42 0.13 -2.39 5.85 -0.80 -2.61 115.31 115.93 1iaq h LEU 23 Ca -0.02 -0.55 -0.27 0.00 0.84 0.00 0.00 57.88 57.87 1iaq h LEU 23 Cb 1.56 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.46 1iaq h LEU 23 CO 0.12 1.45 -1.36 0.40 -0.34 0.00 0.00 178.44 178.71 1iaq h ILE 24 N 0.07 1.10 -0.01 4.05 1.08 -1.42 -3.40 117.51 118.99 1iaq h ILE 24 Ca -0.23 -2.44 -0.00 0.00 -0.39 0.00 0.00 64.86 61.79 1iaq h ILE 24 Cb 2.02 2.81 -0.00 0.00 -3.07 0.00 0.00 36.82 38.57 1iaq h ILE 24 CO 0.17 0.73 -0.27 0.00 -0.69 0.00 0.00 178.15 178.09 1iaq n GLN 25 N -3.91 1.48 -3.45 2.37 6.02 -0.37 -5.03 117.38 114.49 1iaq n GLN 25 Ca -0.23 -2.99 -0.25 0.00 -0.01 0.00 0.00 57.00 53.52 1iaq n GLN 25 Cb 0.92 -1.58 -0.05 0.00 1.02 0.00 0.00 30.24 30.55 1iaq n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1iaq n ASN 26 N -1.25 -0.68 -3.60 1.08 4.13 -0.98 -4.90 115.26 109.06 1iaq n ASN 26 Ca 0.18 -0.78 -0.11 0.00 1.68 0.00 0.00 54.58 55.55 1iaq n ASN 26 Cb 0.68 -0.99 -0.04 0.00 -1.54 0.00 0.00 39.78 37.89 1iaq n ASN 26 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 1iaq s HIS 27 N -2.78 -0.25 -0.06 3.10 -3.43 -1.25 -5.01 115.29 105.61 1iaq s HIS 27 Ca 0.38 -0.05 -0.23 0.00 -0.80 0.00 0.00 55.06 54.37 1iaq s HIS 27 Cb -0.22 0.30 -0.04 0.00 -1.43 0.00 0.00 32.58 31.19 1iaq s HIS 27 CO 0.63 -0.72 0.67 0.12 -2.00 0.00 0.00 174.74 173.44 1iaq s PHE 28 N -3.78 3.59 0.00 0.38 5.36 -1.26 -3.94 117.98 118.32 1iaq s PHE 28 Ca 0.03 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.21 1iaq s PHE 28 Cb 0.01 -2.76 0.00 0.00 -0.34 0.00 0.00 43.02 39.94 1iaq s PHE 28 CO -0.12 0.13 0.00 1.33 -1.46 0.00 0.00 175.22 175.10 1iaq n VAL 29 N 3.61 0.00 0.00 3.12 0.24 -1.26 -5.11 118.33 118.93 1iaq n VAL 29 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1iaq n VAL 29 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1iaq n VAL 29 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1iaq n ASP 38 N 0.00 0.00 -4.38 -1.34 4.64 -1.22 -5.09 116.55 109.16 1iaq n ASP 38 Ca 0.00 0.00 -0.31 0.00 -1.38 0.00 0.00 54.79 53.10 1iaq n ASP 38 Cb 0.00 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 39.94 1iaq n ASP 38 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 1iaq s SER 39 N 0.00 3.42 -0.14 1.67 1.04 -1.26 -3.00 113.70 115.42 1iaq s SER 39 Ca 0.00 -0.47 -0.07 0.00 0.48 0.00 0.00 55.95 55.89 1iaq s SER 39 Cb 0.00 -0.46 0.05 0.00 0.10 0.00 0.00 66.02 65.72 1iaq s SER 39 CO 0.00 0.28 0.34 -0.31 0.98 0.00 0.00 173.24 174.53 1iaq s TYR 40 N -0.78 -0.49 0.29 5.02 1.51 -0.81 -5.01 117.35 117.08 1iaq s TYR 40 Ca 0.12 1.08 0.09 0.00 -1.01 0.00 0.00 57.07 57.35 1iaq s TYR 40 Cb -0.10 0.17 -0.04 0.00 -0.11 0.00 0.00 41.96 41.88 1iaq s TYR 40 CO 0.02 -0.30 0.07 1.03 -1.11 0.00 0.00 175.55 175.26 1iaq s ARG 41 N 1.37 2.41 -0.30 -0.62 1.81 -1.26 -0.68 118.95 121.69 1iaq s ARG 41 Ca -0.09 -1.40 -0.17 0.00 -1.72 0.00 0.00 55.73 52.35 1iaq s ARG 41 Cb -0.09 -2.23 0.18 0.00 -0.45 0.00 0.00 34.95 32.36 1iaq s ARG 41 CO -0.11 0.29 1.11 0.21 -0.68 0.00 0.00 175.30 176.13 1iaq s LYS 42 N -3.75 0.19 -0.11 3.54 2.47 -0.97 -4.97 119.74 116.15 1iaq s LYS 42 Ca 0.34 0.44 -0.23 0.00 -1.56 0.00 0.00 55.97 54.95 1iaq s LYS 42 Cb -0.05 0.21 -0.03 0.00 -1.46 0.00 0.00 37.83 36.49 1iaq s LYS 42 CO 0.22 -0.06 0.69 -1.14 0.16 0.00 0.00 175.35 175.21 1iaq s GLN 43 N 1.96 4.37 0.08 4.03 2.00 -1.26 -1.23 119.66 129.60 1iaq s GLN 43 Ca -0.03 0.82 -0.19 0.00 -2.00 0.00 0.00 55.36 53.95 1iaq s GLN 43 Cb -0.04 -3.49 0.04 0.00 0.80 0.00 0.00 33.01 30.33 1iaq s GLN 43 CO -0.16 -0.04 0.46 0.14 -0.50 0.00 0.00 175.29 175.20 1iaq s VAL 44 N 1.17 0.05 -0.19 1.34 -7.23 -0.93 -5.00 120.40 109.60 1iaq s VAL 44 Ca 0.35 -0.38 -0.03 0.00 -1.81 0.00 0.00 61.98 60.11 1iaq s VAL 44 Cb -0.17 -1.02 -0.01 0.00 0.56 0.00 0.00 36.38 35.73 1iaq s VAL 44 CO 0.15 -0.21 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.98 1iaq s VAL 45 N -2.94 3.36 -0.17 1.32 1.01 -1.26 -1.54 120.40 120.17 1iaq s VAL 45 Ca -0.02 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1iaq s VAL 45 Cb 0.00 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.92 1iaq s VAL 45 CO -0.06 0.46 -0.13 -0.63 0.00 0.00 0.00 175.10 174.74 1iaq s ILE 46 N 1.01 1.63 -1.45 2.22 1.01 -0.33 -4.70 121.20 120.60 1iaq s ILE 46 Ca -0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 1iaq s ILE 46 Cb -0.15 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.76 1iaq s ILE 46 CO -0.00 0.38 0.94 0.47 0.00 0.00 0.00 174.94 176.73 1iaq n ASP 47 N 4.73 -6.02 0.00 3.58 10.43 -1.26 -2.87 116.55 125.14 1iaq n ASP 47 Ca -0.17 -0.48 0.00 0.00 2.57 0.00 0.00 54.79 56.72 1iaq n ASP 47 Cb 0.49 -4.79 0.00 0.00 1.84 0.00 0.00 41.12 38.65 1iaq n ASP 47 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1iaq n GLY 48 N -1.78 2.07 3.50 0.44 0.00 -1.26 -4.98 105.19 103.18 1iaq n GLY 48 Ca -0.03 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 1iaq n GLY 48 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1iaq n GLU 49 N 0.00 0.79 -3.96 1.61 2.13 -1.14 -4.91 120.64 115.16 1iaq n GLU 49 Ca 0.00 0.28 -0.36 0.00 0.66 0.00 0.00 57.16 57.74 1iaq n GLU 49 Cb 0.00 -1.54 -0.06 0.00 0.27 0.00 0.00 31.44 30.10 1iaq n GLU 49 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1iaq s THR 50 N -1.18 5.30 0.19 6.31 -1.32 -1.26 -1.18 115.64 122.50 1iaq s THR 50 Ca 0.61 0.08 -0.21 0.00 -1.21 0.00 0.00 61.69 60.96 1iaq s THR 50 Cb -0.72 -3.32 0.05 0.00 -1.51 0.00 0.00 72.50 66.99 1iaq s THR 50 CO 0.58 0.57 0.59 0.00 -2.21 0.00 0.00 174.62 174.16 1iaq s LEU 52 N -2.81 3.92 -0.42 0.00 2.96 -0.13 -2.19 118.68 120.02 1iaq s LEU 52 Ca 0.05 0.01 -0.17 0.00 -0.22 0.00 0.00 54.13 53.80 1iaq s LEU 52 Cb -0.02 -2.06 0.02 0.00 0.50 0.00 0.00 46.19 44.64 1iaq s LEU 52 CO -0.07 0.03 0.44 -0.76 -1.32 0.00 0.00 176.35 174.67 1iaq s LEU 53 N 1.28 4.84 -0.57 -0.68 1.02 -0.37 -1.13 118.68 123.08 1iaq s LEU 53 Ca 0.07 -0.65 -0.13 0.00 0.02 0.00 0.00 54.13 53.43 1iaq s LEU 53 Cb -0.14 -2.40 0.14 0.00 0.02 0.00 0.00 46.19 43.81 1iaq s LEU 53 CO 0.06 -0.58 0.49 -0.62 0.02 0.00 0.00 176.35 175.72 1iaq s ASP 54 N 1.81 6.09 -0.27 2.29 -1.08 -0.01 -2.28 116.67 123.22 1iaq s ASP 54 Ca 0.12 -2.03 -0.12 0.00 -0.52 0.00 0.00 52.55 50.01 1iaq s ASP 54 Cb -0.17 -2.13 -0.05 0.00 -1.46 0.00 0.00 42.92 39.11 1iaq s ASP 54 CO 0.14 -0.74 0.25 -0.63 0.52 0.00 0.00 175.17 174.71 1iaq s ILE 55 N 1.21 5.27 -0.47 4.11 1.01 0.15 -1.14 121.20 131.34 1iaq s ILE 55 Ca 0.07 0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.92 1iaq s ILE 55 Cb -0.25 -3.58 0.12 0.00 0.01 0.00 0.00 42.46 38.75 1iaq s ILE 55 CO -0.00 0.22 0.35 -0.22 0.00 0.00 0.00 174.94 175.29 1iaq s LEU 56 N 1.83 5.69 -0.19 2.97 2.96 -0.70 -1.93 118.68 129.31 1iaq s LEU 56 Ca 0.10 -1.87 -0.29 0.00 -0.22 0.00 0.00 54.13 51.85 1iaq s LEU 56 Cb -0.16 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 1iaq s LEU 56 CO 0.10 -0.69 1.19 -0.62 -1.32 0.00 0.00 176.35 175.02 1iaq s ASP 57 N 2.69 6.99 0.53 3.68 -1.08 -1.16 -2.96 116.67 125.36 1iaq s ASP 57 Ca 0.05 1.59 0.07 0.00 -0.52 0.00 0.00 52.55 53.74 1iaq s ASP 57 Cb -0.26 -2.54 0.05 0.00 -1.46 0.00 0.00 42.92 38.71 1iaq s ASP 57 CO -0.00 -0.74 0.54 0.42 0.52 0.00 0.00 175.17 175.91 1iaq s THR 58 N 3.42 2.00 0.54 1.71 -4.23 -1.17 -3.38 115.64 114.53 1iaq s THR 58 Ca 0.51 -1.29 -0.18 0.00 -1.18 0.00 0.00 61.69 59.55 1iaq s THR 58 Cb -0.19 -2.29 -0.06 0.00 1.34 0.00 0.00 72.50 71.29 1iaq s THR 58 CO 0.12 0.00 1.05 0.00 -0.54 0.00 0.00 174.62 175.25 1iaq s ALA 59 N -2.68 2.81 0.00 3.99 0.00 -1.26 -4.90 121.76 119.71 1iaq s ALA 59 Ca 0.46 0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 1iaq s ALA 59 Cb -0.04 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 1iaq s ALA 59 CO 0.28 -0.55 1.54 0.41 0.00 0.00 0.00 175.76 177.45 1iaq n GLY 60 N -0.57 1.81 0.54 0.00 0.00 -1.26 -4.49 105.19 101.22 1iaq n GLY 60 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1iaq n GLY 60 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1iaq n GLN 70 N 2.09 0.00 0.00 1.61 0.00 -1.26 -2.08 117.38 117.74 1iaq n GLN 70 Ca 0.09 0.00 0.12 0.00 -0.00 0.00 0.00 57.00 57.21 1iaq n GLN 70 Cb 0.37 0.00 0.62 0.00 0.00 0.00 0.00 30.24 31.23 1iaq n GLN 70 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 1iaq n TYR 71 N 0.00 0.00 0.53 3.69 0.18 -1.26 -2.74 117.16 117.56 1iaq n TYR 71 Ca 0.00 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.87 1iaq n TYR 71 Cb 0.00 -0.26 -0.13 0.00 -0.38 0.00 0.00 39.34 38.57 1iaq n TYR 71 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 1iaq n MET 72 N -1.26 0.61 0.10 -3.48 2.81 -1.26 -3.74 117.12 110.91 1iaq n MET 72 Ca 0.12 -0.08 0.13 0.00 -1.81 0.00 0.00 57.70 56.06 1iaq n MET 72 Cb 0.18 -1.44 0.33 0.00 -0.71 0.00 0.00 33.22 31.59 1iaq n MET 72 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1iaq h ARG 73 N 0.00 0.00 0.07 0.03 2.43 -1.74 -3.30 114.38 111.87 1iaq h ARG 73 Ca 0.00 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 1iaq h ARG 73 Cb 0.65 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1iaq h ARG 73 CO 0.00 0.00 -1.14 1.79 -1.51 0.00 0.00 179.97 179.11 1iaq h THR 74 N 0.00 1.14 -2.54 0.20 1.35 -1.68 -3.47 112.91 107.91 1iaq h THR 74 Ca 0.00 -2.35 -0.60 0.00 -0.55 0.00 0.00 66.41 62.91 1iaq h THR 74 Cb 0.76 2.74 0.13 0.00 -1.73 0.00 0.00 68.15 70.05 1iaq h THR 74 CO 0.00 0.61 -0.06 0.61 -0.25 0.00 0.00 175.52 176.43 1iaq n GLY 75 N 1.65 -0.69 0.12 5.82 0.00 -1.24 -4.92 105.19 105.92 1iaq n GLY 75 Ca -0.24 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 1iaq n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iaq n GLU 76 N 0.50 0.68 -4.37 1.61 1.02 0.16 -4.97 120.64 115.27 1iaq n GLU 76 Ca 0.11 0.13 -0.20 0.00 -0.02 0.00 0.00 57.16 57.17 1iaq n GLU 76 Cb 0.36 -1.57 -0.13 0.00 -0.02 0.00 0.00 31.44 30.08 1iaq n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1iaq s GLY 77 N -5.95 0.79 -0.03 0.62 0.00 -0.66 -4.34 107.32 97.75 1iaq s GLY 77 Ca -0.23 -0.82 0.07 0.00 0.00 0.00 0.00 44.72 43.74 1iaq s GLY 77 CO 0.71 -0.79 -0.24 -1.36 0.00 0.00 0.00 173.10 171.42 1iaq s PHE 78 N -0.83 2.39 -0.49 1.90 0.08 -0.24 -0.17 117.98 120.62 1iaq s PHE 78 Ca 0.02 -0.40 -0.04 0.00 0.12 0.00 0.00 56.93 56.63 1iaq s PHE 78 Cb -0.08 -1.52 0.13 0.00 -0.57 0.00 0.00 43.02 40.98 1iaq s PHE 78 CO 0.01 -0.00 0.31 -0.51 -0.10 0.00 0.00 175.22 174.93 1iaq s LEU 79 N -0.63 5.37 -0.49 -0.37 1.43 -0.03 -0.86 118.68 123.10 1iaq s LEU 79 Ca 0.10 -2.26 -0.27 0.00 -1.03 0.00 0.00 54.13 50.67 1iaq s LEU 79 Cb -0.10 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.27 1iaq s LEU 79 CO -0.01 -0.52 1.02 0.00 0.23 0.00 0.00 176.35 177.07 1iaq s VAL 81 N 4.13 4.32 0.02 0.00 1.01 -0.53 0.17 120.40 129.53 1iaq s VAL 81 Ca 0.40 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 1iaq s VAL 81 Cb -0.09 -3.05 0.04 0.00 0.00 0.00 0.00 36.38 33.28 1iaq s VAL 81 CO 0.27 0.17 0.44 0.72 0.00 0.00 0.00 175.10 176.70 1iaq s PHE 82 N -1.31 -0.32 0.04 5.22 -0.12 -0.30 -3.88 117.98 117.32 1iaq s PHE 82 Ca 0.26 0.38 -0.12 0.00 -0.05 0.00 0.00 56.93 57.41 1iaq s PHE 82 Cb -0.12 0.23 -0.06 0.00 -0.63 0.00 0.00 43.02 42.44 1iaq s PHE 82 CO 0.19 -0.54 0.40 0.00 -0.05 0.00 0.00 175.22 175.21 1iaq s ALA 83 N -2.04 3.71 -1.12 1.99 0.00 -1.26 -0.53 121.76 122.51 1iaq s ALA 83 Ca -0.08 -0.30 0.20 0.00 0.00 0.00 0.00 51.96 51.78 1iaq s ALA 83 Cb -0.02 -2.32 0.89 0.00 0.00 0.00 0.00 23.12 21.67 1iaq s ALA 83 CO 0.01 0.52 1.63 0.44 0.00 0.00 0.00 175.76 178.36 1iaq n ILE 84 N 1.36 0.57 -0.74 0.00 -5.35 -0.72 -2.27 119.36 112.22 1iaq n ILE 84 Ca -0.11 0.14 0.08 0.00 -0.27 0.00 0.00 62.75 62.59 1iaq n ILE 84 Cb 0.52 -0.81 0.30 0.00 -1.74 0.00 0.00 39.64 37.92 1iaq n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1iaq n ASN 85 N -1.44 4.39 -3.53 7.28 6.94 -1.26 -0.65 115.26 126.98 1iaq n ASN 85 Ca 0.06 -2.67 -0.29 0.00 -0.02 0.00 0.00 54.58 51.66 1iaq n ASN 85 Cb 0.21 -0.54 -0.14 0.00 -2.36 0.00 0.00 39.78 36.96 1iaq n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1iaq s ASN 86 N -1.25 3.35 0.22 0.53 3.04 -0.96 -4.80 114.94 115.07 1iaq s ASN 86 Ca 0.45 -1.78 -0.08 0.00 0.04 0.00 0.00 52.86 51.48 1iaq s ASN 86 Cb 0.32 -0.46 0.24 0.00 -1.54 0.00 0.00 41.25 39.81 1iaq s ASN 86 CO 0.16 -0.37 1.86 0.74 -3.04 0.00 0.00 177.10 176.45 1iaq h THR 87 N 5.76 1.10 -0.64 -5.21 2.02 -1.87 -2.53 112.91 111.54 1iaq h THR 87 Ca -0.07 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1iaq h THR 87 Cb 0.99 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1iaq h THR 87 CO 0.37 0.17 0.36 0.50 0.37 0.00 0.00 175.52 177.30 1iaq h LYS 88 N 0.95 0.88 -0.31 6.66 3.64 -1.95 -0.99 116.57 125.45 1iaq h LYS 88 Ca 0.32 -0.09 0.09 0.00 -1.27 0.00 0.00 60.65 59.69 1iaq h LYS 88 Cb 0.04 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1iaq h LYS 88 CO -0.12 0.65 0.23 0.66 -2.27 0.00 0.00 179.45 178.60 1iaq h SER 89 N 0.87 0.00 -0.05 4.20 4.64 -1.80 0.93 113.55 122.34 1iaq h SER 89 Ca 0.23 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.31 1iaq h SER 89 Cb 0.02 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1iaq h SER 89 CO -0.04 0.00 -0.90 0.15 -0.87 0.00 0.00 176.83 175.17 1iaq h PHE 90 N 0.00 1.00 0.00 4.77 3.04 -1.02 -3.11 116.94 121.62 1iaq h PHE 90 Ca 0.15 -0.51 0.00 0.00 3.98 0.00 0.00 57.97 61.59 1iaq h PHE 90 Cb 0.60 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1iaq h PHE 90 CO 0.00 1.34 0.00 0.93 -2.02 0.00 0.00 178.31 178.56 1iaq h GLU 91 N 0.38 0.00 0.00 1.11 5.08 0.18 -2.99 114.58 118.33 1iaq h GLU 91 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1iaq h GLU 91 Cb 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 1iaq h GLU 91 CO 0.18 0.00 -0.42 -0.25 -1.00 0.00 0.00 179.01 177.52 1iaq n ASP 92 N -2.75 0.64 -0.15 1.42 8.00 0.11 -4.14 116.55 119.68 1iaq n ASP 92 Ca 0.01 0.20 -0.03 0.00 0.71 0.00 0.00 54.79 55.69 1iaq n ASP 92 Cb 0.27 -0.10 0.05 0.00 -0.02 0.00 0.00 41.12 41.32 1iaq n ASP 92 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1iaq h ILE 93 N 0.00 0.62 -0.91 0.53 1.08 -1.56 -1.02 117.51 116.24 1iaq h ILE 93 Ca 0.00 -0.03 0.20 0.00 -0.39 0.00 0.00 64.86 64.64 1iaq h ILE 93 Cb 0.69 0.51 -0.12 0.00 -3.07 0.00 0.00 36.82 34.83 1iaq h ILE 93 CO 0.00 0.02 0.45 -0.74 -0.69 0.00 0.00 178.15 177.19 1iaq h HIS 94 N 0.10 0.76 0.18 1.37 2.76 -1.81 0.11 115.15 118.63 1iaq h HIS 94 Ca 0.24 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.45 1iaq h HIS 94 Cb 0.35 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 1iaq h HIS 94 CO -0.31 0.05 -0.23 0.37 -1.30 0.00 0.00 177.93 176.51 1iaq h GLN 95 N 0.51 -0.44 -0.40 5.26 4.15 -1.44 -1.63 115.11 121.12 1iaq h GLN 95 Ca 0.55 0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.95 1iaq h GLN 95 Cb 0.97 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.75 1iaq h GLN 95 CO -0.47 -0.30 0.07 1.88 -1.93 0.00 0.00 178.83 178.09 1iaq h TYR 96 N -0.46 0.69 -0.89 3.99 0.05 -1.05 -1.46 116.97 117.85 1iaq h TYR 96 Ca 0.01 -0.09 0.19 0.00 0.05 0.00 0.00 58.73 58.88 1iaq h TYR 96 Cb 0.45 -0.19 -0.11 0.00 1.01 0.00 0.00 36.73 37.89 1iaq h TYR 96 CO -0.18 0.68 0.44 -0.09 -1.05 0.00 0.00 178.16 177.96 1iaq h ARG 97 N 0.50 0.52 -0.01 4.88 9.65 -0.69 0.18 114.38 129.41 1iaq h ARG 97 Ca 0.12 -0.03 -0.15 0.00 -1.10 0.00 0.00 59.98 58.82 1iaq h ARG 97 Cb 0.36 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1iaq h ARG 97 CO 0.01 0.34 -0.60 0.93 2.80 0.00 0.00 179.97 183.45 1iaq h GLU 98 N 0.53 0.42 -0.33 0.20 4.39 -1.10 -1.18 114.58 117.52 1iaq h GLU 98 Ca 0.52 -0.44 0.07 0.00 0.34 0.00 0.00 59.36 59.85 1iaq h GLU 98 Cb 0.88 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1iaq h GLU 98 CO -0.44 1.10 0.23 0.37 -1.16 0.00 0.00 179.01 179.11 1iaq h GLN 99 N -0.08 0.15 0.25 2.33 4.15 -0.14 0.83 115.11 122.60 1iaq h GLN 99 Ca -0.07 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1iaq h GLN 99 Cb 1.30 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1iaq h GLN 99 CO 0.12 0.10 -0.12 0.82 -1.93 0.00 0.00 178.83 177.82 1iaq h ILE 100 N 0.15 0.06 -0.89 2.39 2.04 -0.66 -2.81 117.51 117.80 1iaq h ILE 100 Ca 0.15 -0.79 0.26 0.00 1.00 0.00 0.00 64.86 65.48 1iaq h ILE 100 Cb 0.41 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1iaq h ILE 100 CO -0.02 0.02 0.87 0.50 0.00 0.00 0.00 178.15 179.52 1iaq h LYS 101 N -1.08 0.00 0.06 2.37 3.64 -0.86 -2.20 116.57 118.50 1iaq h LYS 101 Ca -0.03 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1iaq h LYS 101 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1iaq h LYS 101 CO 0.06 0.00 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.12 1iaq h ARG 102 N 0.00 -0.08 -1.86 1.90 2.43 -0.84 -3.26 114.38 112.67 1iaq h ARG 102 Ca 0.42 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1iaq h ARG 102 Cb 2.16 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.73 1iaq h ARG 102 CO -0.00 -0.05 0.00 1.33 -1.51 0.00 0.00 179.97 179.73 1iaq n VAL 103 N -3.34 0.72 -1.95 0.20 0.24 -0.83 -2.29 118.33 111.08 1iaq n VAL 103 Ca -0.01 -0.15 -0.05 0.00 -2.04 0.00 0.00 64.34 62.10 1iaq n VAL 103 Cb 0.03 -1.05 -0.04 0.00 -1.47 0.00 0.00 33.84 31.31 1iaq n VAL 103 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1iaq n LYS 104 N 1.46 0.10 -1.79 7.34 5.02 -1.21 -4.51 118.16 124.58 1iaq n LYS 104 Ca 0.00 -0.76 0.00 0.00 -2.02 0.00 0.00 58.31 55.53 1iaq n LYS 104 Cb 0.21 0.48 0.00 0.00 -0.02 0.00 0.00 35.03 35.71 1iaq n LYS 104 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iaq n ASP 105 N -0.11 0.00 -3.73 4.39 8.00 -0.97 -4.81 116.55 119.31 1iaq n ASP 105 Ca -0.20 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.17 1iaq n ASP 105 Cb 0.60 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.60 1iaq n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1iaq s SER 106 N -2.39 -0.42 0.40 -2.24 0.15 -1.23 -5.03 113.70 102.94 1iaq s SER 106 Ca 0.00 0.79 0.23 0.00 0.70 0.00 0.00 55.95 57.68 1iaq s SER 106 Cb 0.00 0.77 0.35 0.00 -1.71 0.00 0.00 66.02 65.43 1iaq s SER 106 CO 0.00 -0.15 1.57 0.44 1.20 0.00 0.00 173.24 176.31 1iaq h ASP 107 N 5.94 0.00 -3.27 5.45 3.32 -1.87 -3.43 116.42 122.56 1iaq h ASP 107 Ca -0.29 -0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.24 1iaq h ASP 107 Cb 1.18 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.33 1iaq h ASP 107 CO 0.27 0.00 -0.76 1.51 -1.72 0.00 0.00 179.24 178.54 1iaq s ASP 108 N -6.00 2.86 -0.03 6.45 -4.77 -1.26 -5.08 116.67 108.85 1iaq s ASP 108 Ca 0.07 -0.80 0.06 0.00 -3.30 0.00 0.00 52.55 48.58 1iaq s ASP 108 Cb 0.06 -0.59 -0.01 0.00 -1.09 0.00 0.00 42.92 41.29 1iaq s ASP 108 CO 0.67 -0.30 -0.20 -0.69 0.70 0.00 0.00 175.17 175.35 1iaq s VAL 109 N 1.87 1.62 -0.03 2.11 1.01 -1.26 -5.09 120.40 120.63 1iaq s VAL 109 Ca -0.01 -0.86 -0.38 0.00 0.00 0.00 0.00 61.98 60.74 1iaq s VAL 109 Cb -0.17 -1.36 -0.16 0.00 0.00 0.00 0.00 36.38 34.68 1iaq s VAL 109 CO -0.08 0.46 1.47 -2.65 0.00 0.00 0.00 175.10 174.30 1iaq n PRO 110 N 2.77 1.15 -3.59 2.72 -0.02 -1.26 -4.90 135.00 131.86 1iaq n PRO 110 Ca -0.16 0.42 -0.08 0.00 -2.02 0.00 0.00 63.50 61.65 1iaq n PRO 110 Cb 0.53 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.89 1iaq n PRO 110 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1iaq s MET 111 N 1.49 0.45 -0.03 -0.52 0.00 -1.26 -1.08 119.30 118.35 1iaq s MET 111 Ca 0.89 0.11 0.02 0.00 0.00 0.00 0.00 55.69 56.71 1iaq s MET 111 Cb -0.99 0.21 0.01 0.00 0.00 0.00 0.00 34.83 34.06 1iaq s MET 111 CO 0.53 -0.14 -0.06 0.08 0.00 0.00 0.00 175.02 175.43 1iaq s VAL 112 N -1.09 0.61 -0.03 10.11 1.01 -0.04 -4.24 120.40 126.73 1iaq s VAL 112 Ca 0.01 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.51 1iaq s VAL 112 Cb -0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1iaq s VAL 112 CO -0.01 0.21 0.78 -0.22 0.00 0.00 0.00 175.10 175.86 1iaq s LEU 113 N 0.45 4.36 -0.10 3.92 2.96 -0.12 -1.39 118.68 128.76 1iaq s LEU 113 Ca -0.06 1.35 0.02 0.00 -0.22 0.00 0.00 54.13 55.22 1iaq s LEU 113 Cb -0.10 -3.23 0.01 0.00 0.50 0.00 0.00 46.19 43.38 1iaq s LEU 113 CO 0.00 -0.12 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.08 1iaq s VAL 114 N 0.67 1.40 -0.51 1.68 1.01 0.13 -1.60 120.40 123.18 1iaq s VAL 114 Ca 0.41 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 1iaq s VAL 114 Cb -0.19 -1.29 0.12 0.00 0.00 0.00 0.00 36.38 35.02 1iaq s VAL 114 CO 0.21 0.42 0.44 -0.83 0.00 0.00 0.00 175.10 175.35 1iaq s GLY 115 N 0.96 2.07 0.66 4.51 0.00 -0.38 -1.15 107.32 113.99 1iaq s GLY 115 Ca -0.08 -2.50 -0.05 0.00 0.00 0.00 0.00 44.72 42.09 1iaq s GLY 115 CO -0.01 1.16 0.96 0.21 0.00 0.00 0.00 173.10 175.42 1iaq s ASN 116 N 3.22 5.02 -1.09 1.64 2.47 0.31 -1.22 114.94 125.29 1iaq s ASN 116 Ca 0.04 0.44 -0.03 0.00 0.42 0.00 0.00 52.86 53.73 1iaq s ASN 116 Cb -0.28 -1.19 0.00 0.00 -1.45 0.00 0.00 41.25 38.33 1iaq s ASN 116 CO 0.02 -1.43 0.38 0.29 -3.72 0.00 0.00 177.10 172.64 1iaq n LYS 117 N -2.78 -3.19 0.00 0.43 5.02 -0.32 -1.75 118.16 115.57 1iaq n LYS 117 Ca 0.07 0.64 0.02 0.00 -2.02 0.00 0.00 58.31 57.02 1iaq n LYS 117 Cb 0.60 -4.91 0.13 0.00 -0.02 0.00 0.00 35.03 30.83 1iaq n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iaq n ASP 119 N -0.63 1.15 -4.97 0.00 5.75 -1.26 -4.93 116.55 111.65 1iaq n ASP 119 Ca 0.03 -0.97 -0.21 0.00 -0.01 0.00 0.00 54.79 53.63 1iaq n ASP 119 Cb 0.02 0.17 0.04 0.00 -1.03 0.00 0.00 41.12 40.31 1iaq n ASP 119 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1iaq s LEU 120 N -2.49 3.27 -0.01 -2.12 1.43 -1.04 -5.01 118.68 112.72 1iaq s LEU 120 Ca 0.24 0.01 0.11 0.00 -1.03 0.00 0.00 54.13 53.46 1iaq s LEU 120 Cb 0.19 -2.88 -0.14 0.00 0.03 0.00 0.00 46.19 43.39 1iaq s LEU 120 CO 0.52 -1.14 0.36 0.00 0.23 0.00 0.00 176.35 176.32 1iaq n ALA 121 N -2.35 2.97 -2.20 4.21 0.00 -1.26 -4.71 120.51 117.16 1iaq n ALA 121 Ca 0.08 -0.29 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 1iaq n ALA 121 Cb 0.60 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1iaq n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iaq n ALA 122 N -1.53 4.92 -2.70 0.00 0.00 -1.26 -4.94 120.51 115.00 1iaq n ALA 122 Ca 0.00 -4.04 -0.36 0.00 0.00 0.00 0.00 53.44 49.05 1iaq n ALA 122 Cb 0.22 -3.34 -0.09 0.00 0.00 0.00 0.00 19.45 16.24 1iaq n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1iaq s ARG 123 N 2.43 4.10 0.00 0.00 3.52 -1.26 -4.09 118.95 123.66 1iaq s ARG 123 Ca 0.46 -0.26 0.06 0.00 -0.13 0.00 0.00 55.73 55.86 1iaq s ARG 123 Cb 0.09 -3.48 0.05 0.00 -1.56 0.00 0.00 34.95 30.04 1iaq s ARG 123 CO -0.02 0.15 0.68 0.25 -0.81 0.00 0.00 175.30 175.55 1iaq n THR 124 N 4.00 0.00 -3.93 4.11 -2.24 0.18 -4.93 114.28 111.47 1iaq n THR 124 Ca -0.15 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 60.83 1iaq n THR 124 Cb 0.52 1.12 -0.16 0.00 -2.10 0.00 0.00 70.33 69.71 1iaq n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1iaq s VAL 125 N -0.47 1.41 0.74 2.28 1.01 -1.07 -4.82 120.40 119.48 1iaq s VAL 125 Ca 0.07 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 1iaq s VAL 125 Cb 0.05 -1.64 0.05 0.00 0.00 0.00 0.00 36.38 34.83 1iaq s VAL 125 CO 0.07 -0.02 1.16 -1.61 0.00 0.00 0.00 175.10 174.71 1iaq s GLU 126 N 1.47 2.16 0.16 2.72 0.41 -1.26 -4.92 118.70 119.43 1iaq s GLU 126 Ca -0.04 1.58 -0.07 0.00 -0.41 0.00 0.00 54.97 56.04 1iaq s GLU 126 Cb -0.18 -1.85 0.01 0.00 -1.78 0.00 0.00 34.13 30.33 1iaq s GLU 126 CO -0.07 -1.78 1.45 0.77 -0.49 0.00 0.00 175.26 175.14 1iaq h SER 127 N -0.51 0.79 -0.64 -0.19 0.02 -2.00 -2.30 113.55 108.73 1iaq h SER 127 Ca -0.46 -0.43 0.17 0.00 -0.84 0.00 0.00 61.79 60.22 1iaq h SER 127 Cb 1.27 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 1iaq h SER 127 CO 0.50 1.19 0.45 -0.09 -1.14 0.00 0.00 176.83 177.74 1iaq h ARG 128 N 0.54 0.10 -0.05 3.45 9.65 -1.99 0.26 114.38 126.34 1iaq h ARG 128 Ca 0.01 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1iaq h ARG 128 Cb 1.14 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 1iaq h ARG 128 CO 0.12 0.07 -0.09 1.96 2.80 0.00 0.00 179.97 184.82 1iaq h GLN 129 N 0.11 0.16 -0.45 0.20 4.20 -1.78 -2.73 115.11 114.82 1iaq h GLN 129 Ca 0.31 -0.10 -0.12 0.00 0.06 0.00 0.00 58.65 58.79 1iaq h GLN 129 Cb 1.07 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 1iaq h GLN 129 CO -0.03 0.67 -0.21 0.00 -0.67 0.00 0.00 178.83 178.59 1iaq h ALA 130 N 0.49 0.78 0.03 3.87 0.00 -0.97 -2.93 119.26 120.54 1iaq h ALA 130 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1iaq h ALA 130 Cb 0.66 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1iaq h ALA 130 CO 0.02 0.66 -0.09 1.96 0.00 0.00 0.00 179.25 181.80 1iaq h GLN 131 N 0.78 -0.17 -0.50 0.00 4.20 -0.62 0.39 115.11 119.20 1iaq h GLN 131 Ca 0.11 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.93 1iaq h GLN 131 Cb 0.76 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.49 1iaq h GLN 131 CO 0.06 -0.11 -0.05 -0.44 -0.67 0.00 0.00 178.83 177.62 1iaq h ASP 132 N -0.17 -0.30 -0.45 1.46 3.45 -1.44 0.86 116.42 119.82 1iaq h ASP 132 Ca 0.02 0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 1iaq h ASP 132 Cb 0.20 0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.19 1iaq h ASP 132 CO -0.07 -0.11 0.26 0.25 -1.57 0.00 0.00 179.24 178.00 1iaq h LEU 133 N 0.07 0.58 -0.36 1.55 5.85 -1.26 -1.33 115.31 120.40 1iaq h LEU 133 Ca 0.25 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 1iaq h LEU 133 Cb 0.38 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1iaq h LEU 133 CO -0.45 0.47 -0.14 0.00 -0.34 0.00 0.00 178.44 177.98 1iaq h ALA 134 N 1.63 0.50 -0.66 1.25 0.00 0.13 -2.73 119.26 119.37 1iaq h ALA 134 Ca 0.17 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1iaq h ALA 134 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1iaq h ALA 134 CO -0.03 0.40 0.29 0.00 0.00 0.00 0.00 179.25 179.91 1iaq h ARG 135 N 0.51 0.97 0.00 0.00 3.08 -0.57 0.61 114.38 118.99 1iaq h ARG 135 Ca 0.08 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1iaq h ARG 135 Cb 0.67 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1iaq h ARG 135 CO 0.05 0.80 0.00 -1.13 -1.07 0.00 0.00 179.97 178.61 1iaq n SER 136 N -4.43 0.45 -0.10 7.04 3.41 -0.54 -2.69 113.62 116.76 1iaq n SER 136 Ca 0.05 0.66 -0.14 0.00 -0.26 0.00 0.00 58.87 59.18 1iaq n SER 136 Cb 0.15 -0.74 -0.10 0.00 -0.26 0.00 0.00 64.21 63.26 1iaq n SER 136 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1iaq n TYR 137 N -2.05 0.00 -0.06 7.33 4.01 -0.30 -5.02 117.16 121.07 1iaq n TYR 137 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1iaq n TYR 137 Cb 0.12 -0.82 0.00 0.00 -0.31 0.00 0.00 39.34 38.33 1iaq n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1iaq n GLY 138 N 2.40 0.71 3.91 2.72 0.00 0.20 -5.05 105.19 110.08 1iaq n GLY 138 Ca -0.36 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 1iaq n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iaq s ILE 139 N -2.07 4.91 0.58 -0.61 -4.36 -1.12 -5.02 121.20 113.52 1iaq s ILE 139 Ca 0.00 -1.16 -0.15 0.00 -0.26 0.00 0.00 60.65 59.08 1iaq s ILE 139 Cb 0.00 -3.66 -0.04 0.00 1.25 0.00 0.00 42.46 40.01 1iaq s ILE 139 CO 0.00 -0.33 1.03 -2.84 0.24 0.00 0.00 174.94 173.04 1iaq s PRO 140 N -3.90 3.49 -0.09 0.37 0.02 -1.26 -4.54 135.00 129.09 1iaq s PRO 140 Ca 0.33 1.07 0.04 0.00 0.02 0.00 0.00 61.00 62.46 1iaq s PRO 140 Cb -0.09 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1iaq s PRO 140 CO 0.27 -0.66 -0.21 -0.47 -0.33 0.00 0.00 177.00 175.60 1iaq s TYR 141 N -2.63 2.26 0.00 6.54 5.04 -1.26 -0.95 117.35 126.36 1iaq s TYR 141 Ca 0.61 -0.91 0.00 0.00 -2.44 0.00 0.00 57.07 54.33 1iaq s TYR 141 Cb -0.14 -1.54 -0.01 0.00 0.35 0.00 0.00 41.96 40.63 1iaq s TYR 141 CO 0.38 -0.38 -0.02 0.42 -1.34 0.00 0.00 175.55 174.62 1iaq s ILE 142 N 0.43 0.09 -0.14 3.14 1.01 -0.63 -5.00 121.20 120.11 1iaq s ILE 142 Ca -0.18 -0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.17 1iaq s ILE 142 Cb -0.17 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.13 1iaq s ILE 142 CO 0.08 -0.09 0.08 -1.61 0.00 0.00 0.00 174.94 173.40 1iaq s GLU 143 N -0.34 3.56 0.06 2.79 2.02 -1.26 -1.25 118.70 124.27 1iaq s GLU 143 Ca -0.03 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1iaq s GLU 143 Cb -0.02 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 1iaq s GLU 143 CO -0.00 0.57 -0.04 0.95 0.02 0.00 0.00 175.26 176.76 1iaq s THR 144 N -0.46 0.35 -0.28 3.63 -4.23 -0.36 -4.57 115.64 109.72 1iaq s THR 144 Ca 0.10 -1.68 -0.01 0.00 -1.18 0.00 0.00 61.69 58.93 1iaq s THR 144 Cb -0.12 -1.34 0.09 0.00 1.34 0.00 0.00 72.50 72.47 1iaq s THR 144 CO 0.02 -0.86 0.07 -0.55 -0.54 0.00 0.00 174.62 172.76 1iaq s SER 145 N -2.67 3.79 0.00 3.99 0.15 -0.57 -1.18 113.70 117.21 1iaq s SER 145 Ca 0.04 -1.44 0.06 0.00 0.70 0.00 0.00 55.95 55.31 1iaq s SER 145 Cb 0.04 -0.83 0.26 0.00 -1.71 0.00 0.00 66.02 63.77 1iaq s SER 145 CO -0.07 -0.38 1.10 0.00 1.20 0.00 0.00 173.24 175.09 1iaq n ALA 146 N 4.88 1.35 -0.06 5.45 0.00 -1.26 -0.71 120.51 130.15 1iaq n ALA 146 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 1iaq n ALA 146 Cb 0.43 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 1iaq n ALA 146 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1iaq h LYS 147 N 0.00 0.00 -0.48 0.00 3.64 -1.93 -3.36 116.57 114.44 1iaq h LYS 147 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1iaq h LYS 147 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1iaq h LYS 147 CO 0.00 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.43 1iaq n THR 148 N -4.49 0.27 -0.37 1.00 -2.24 -1.14 -4.70 114.28 102.62 1iaq n THR 148 Ca -0.04 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1iaq n THR 148 Cb 0.15 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1iaq n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1iaq n ARG 149 N -0.05 -0.14 -1.73 -0.78 0.63 0.11 -4.88 116.66 109.81 1iaq n ARG 149 Ca 0.04 0.02 -0.42 0.00 -0.92 0.00 0.00 57.85 56.57 1iaq n ARG 149 Cb 0.23 -3.46 -0.02 0.00 0.45 0.00 0.00 32.46 29.65 1iaq n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1iaq n GLN 150 N -0.93 2.65 0.00 -0.14 7.27 -1.12 -2.30 117.38 122.81 1iaq n GLN 150 Ca 0.00 0.95 0.00 0.00 0.07 0.00 0.00 57.00 58.02 1iaq n GLN 150 Cb 0.02 -2.74 0.00 0.00 2.41 0.00 0.00 30.24 29.94 1iaq n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1iaq n GLY 151 N 2.74 1.42 0.48 1.69 0.00 -1.26 -1.51 105.19 108.74 1iaq n GLY 151 Ca 0.11 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.43 1iaq n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iaq h VAL 152 N 0.00 0.53 0.05 1.61 2.07 -1.76 -1.65 116.25 117.10 1iaq h VAL 152 Ca 0.00 -0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 1iaq h VAL 152 Cb 0.00 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1iaq h VAL 152 CO 0.00 0.00 -0.88 -0.33 0.02 0.00 0.00 177.57 176.38 1iaq h GLU 153 N 0.01 0.10 -0.65 1.57 5.08 -1.87 -3.27 114.58 115.55 1iaq h GLU 153 Ca 0.45 -0.17 0.13 0.00 -1.00 0.00 0.00 59.36 58.78 1iaq h GLU 153 Cb 1.80 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 31.01 1iaq h GLU 153 CO -0.01 1.08 0.09 -0.44 -1.00 0.00 0.00 179.01 178.73 1iaq h ASP 154 N -0.73 -0.12 0.16 1.42 3.45 -1.77 0.30 116.42 119.14 1iaq h ASP 154 Ca -0.21 0.14 0.01 0.00 0.43 0.00 0.00 57.03 57.40 1iaq h ASP 154 Cb 1.38 0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 40.33 1iaq h ASP 154 CO -0.03 -0.06 -0.47 0.00 -1.57 0.00 0.00 179.24 177.10 1iaq h ALA 155 N 1.56 -0.98 -0.72 3.45 0.00 -1.48 0.28 119.26 121.37 1iaq h ALA 155 Ca 0.35 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1iaq h ALA 155 Cb 0.57 0.83 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1iaq h ALA 155 CO -0.49 -1.08 0.24 0.74 0.00 0.00 0.00 179.25 178.66 1iaq h PHE 156 N -0.71 1.12 0.00 0.00 -1.00 -1.47 -2.24 116.94 112.63 1iaq h PHE 156 Ca -0.01 -0.10 -0.11 0.00 2.81 0.00 0.00 57.97 60.56 1iaq h PHE 156 Cb 0.70 -0.33 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1iaq h PHE 156 CO -0.41 0.87 -0.53 1.88 -1.61 0.00 0.00 178.31 178.52 1iaq h TYR 157 N 1.05 0.00 -0.29 -0.55 0.05 -0.77 -2.61 116.97 113.86 1iaq h TYR 157 Ca 0.24 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.88 1iaq h TYR 157 Cb 0.26 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 1iaq h TYR 157 CO 0.02 0.53 -0.34 1.15 -1.05 0.00 0.00 178.16 178.47 1iaq h THR 158 N 0.00 1.30 -0.60 -2.88 2.02 -0.25 -1.78 112.91 110.71 1iaq h THR 158 Ca -0.01 -1.52 0.05 0.00 0.77 0.00 0.00 66.41 65.71 1iaq h THR 158 Cb 1.12 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 1iaq h THR 158 CO 0.07 0.49 0.40 0.25 0.37 0.00 0.00 175.52 177.09 1iaq h LEU 159 N 0.48 0.55 -0.05 2.58 5.85 -1.23 0.25 115.31 123.73 1iaq h LEU 159 Ca 0.04 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1iaq h LEU 159 Cb 0.92 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 1iaq h LEU 159 CO 0.08 0.37 -0.04 0.58 -0.34 0.00 0.00 178.44 179.09 1iaq h VAL 160 N 0.63 1.36 -0.15 1.05 2.07 -1.16 -2.19 116.25 117.86 1iaq h VAL 160 Ca 0.25 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.68 1iaq h VAL 160 Cb 0.20 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1iaq h VAL 160 CO -0.07 0.31 0.10 0.03 0.02 0.00 0.00 177.57 177.96 1iaq h ARG 161 N -0.32 0.05 -0.21 1.57 3.08 -0.76 0.62 114.38 118.42 1iaq h ARG 161 Ca 0.01 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1iaq h ARG 161 Cb 0.51 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1iaq h ARG 161 CO 0.01 0.04 -0.44 0.93 -1.07 0.00 0.00 179.97 179.44 1iaq h GLU 162 N 0.06 0.51 0.00 0.04 4.39 -0.77 -2.81 114.58 115.99 1iaq h GLU 162 Ca 0.07 -0.27 -0.07 0.00 0.34 0.00 0.00 59.36 59.42 1iaq h GLU 162 Cb 0.20 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1iaq h GLU 162 CO -0.01 0.85 -0.34 0.82 -1.16 0.00 0.00 179.01 179.17 1iaq h ILE 163 N 0.42 0.74 0.00 3.13 2.04 -0.28 -2.68 117.51 120.88 1iaq h ILE 163 Ca 0.03 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1iaq h ILE 163 Cb 0.94 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 1iaq h ILE 163 CO 0.08 0.34 0.00 0.54 0.00 0.00 0.00 178.15 179.11 1iaq n ARG 164 N -3.39 0.08 -0.16 2.37 1.74 -0.57 -1.95 116.66 114.78 1iaq n ARG 164 Ca 0.01 0.26 0.03 0.00 -0.77 0.00 0.00 57.85 57.38 1iaq n ARG 164 Cb 0.54 -1.63 0.10 0.00 -1.02 0.00 0.00 32.46 30.45 1iaq n ARG 164 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1iaq n GLN 165 N -1.77 1.70 0.00 5.56 1.13 -1.01 -5.10 117.38 117.89 1iaq n GLN 165 Ca 0.04 -0.79 0.00 0.00 -1.94 0.00 0.00 57.00 54.30 1iaq n GLN 165 Cb 0.23 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 29.22 1iaq n GLN 165 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34