#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 4.70 -0.06 3.17 2.01 -1.23 -4.91 115.64 119.31 1iaq s THR 2 Ca 0.00 0.95 0.05 0.00 0.31 0.00 0.00 61.69 63.00 1iaq s THR 2 Cb 0.00 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 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 -2.73 2.59 -0.06 4.92 2.12 -1.26 -0.93 118.70 123.35 1iaq s GLU 3 Ca 0.50 -0.82 0.04 0.00 0.36 0.00 0.00 54.97 55.05 1iaq s GLU 3 Cb -0.12 -2.27 -0.00 0.00 0.26 0.00 0.00 34.13 32.01 1iaq s GLU 3 CO 0.19 0.45 -0.18 0.71 -0.54 0.00 0.00 175.26 175.88 1iaq s TYR 4 N -0.31 1.89 -0.38 5.30 4.12 -0.36 -4.96 117.35 122.66 1iaq s TYR 4 Ca 0.01 -0.62 -0.08 0.00 0.02 0.00 0.00 57.07 56.41 1iaq s TYR 4 Cb -0.13 -1.28 0.06 0.00 -1.52 0.00 0.00 41.96 39.09 1iaq s TYR 4 CO 0.02 -0.23 0.18 0.15 0.02 0.00 0.00 175.55 175.69 1iaq s LYS 5 N 0.18 2.58 -0.13 -0.62 1.02 -1.26 -0.85 119.74 120.66 1iaq s LYS 5 Ca -0.08 -1.33 -0.07 0.00 0.02 0.00 0.00 55.97 54.51 1iaq s LYS 5 Cb -0.14 -3.62 -0.04 0.00 -0.52 0.00 0.00 37.83 33.52 1iaq s LYS 5 CO 0.04 -0.81 0.13 -0.51 -0.92 0.00 0.00 175.35 173.27 1iaq s LEU 6 N 1.40 4.31 -0.21 3.17 1.43 -0.28 0.17 118.68 128.68 1iaq s LEU 6 Ca 0.01 0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1iaq s LEU 6 Cb -0.21 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 43.98 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 -0.83 2.21 -0.22 -1.59 1.01 0.62 -1.66 120.40 119.93 1iaq s VAL 7 Ca 0.14 -1.10 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 1iaq s VAL 7 Cb -0.12 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1iaq s VAL 7 CO 0.03 0.37 0.44 -0.69 0.00 0.00 0.00 175.10 175.25 1iaq s VAL 8 N 1.25 5.15 0.22 2.92 1.01 -1.15 -0.77 120.40 129.04 1iaq s VAL 8 Ca 0.01 0.77 0.07 0.00 0.00 0.00 0.00 61.98 62.83 1iaq s VAL 8 Cb -0.15 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1iaq s VAL 8 CO -0.10 0.19 -0.11 0.68 0.00 0.00 0.00 175.10 175.75 1iaq s VAL 9 N 1.71 1.67 0.00 2.92 -7.23 -0.55 -3.01 120.40 115.91 1iaq s VAL 9 Ca 0.20 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1iaq s VAL 9 Cb -0.15 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.63 1iaq s VAL 9 CO 0.09 -0.51 0.00 0.61 -0.31 0.00 0.00 175.10 174.98 1iaq n GLY 10 N -0.43 3.07 3.57 2.32 0.00 -1.26 -1.30 105.19 111.16 1iaq n GLY 10 Ca -0.07 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.15 -0.26 -1.71 4.61 0.00 -1.25 -4.47 120.51 116.29 1iaq n ALA 11 Ca 0.00 0.13 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 1iaq n ALA 11 Cb 0.00 -2.01 -0.02 0.00 0.00 0.00 0.00 19.45 17.43 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 1.38 1.01 2.15 0.00 0.00 -1.26 -2.98 105.19 105.50 1iaq n GLY 12 Ca 0.11 0.44 -0.06 0.00 0.00 0.00 0.00 46.02 46.51 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 1.82 0.60 0.07 -0.02 0.00 -1.26 -4.93 105.19 101.46 1iaq n GLY 13 Ca 0.08 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.49 1iaq n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1iaq h VAL 14 N 0.00 0.00 0.00 1.61 -1.51 -1.89 -3.48 116.25 110.98 1iaq h VAL 14 Ca -0.13 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1iaq h VAL 14 Cb 0.64 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 1iaq h VAL 14 CO 0.18 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.13 1iaq n GLY 15 N 1.33 1.55 0.28 5.19 0.00 -1.26 -4.55 105.19 107.73 1iaq n GLY 15 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.34 -0.25 1.61 1.57 -1.92 -1.96 116.57 115.27 1iaq h LYS 16 Ca 0.00 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1iaq h LYS 16 Cb 0.00 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1iaq h LYS 16 CO 0.00 -0.23 0.05 0.77 -0.57 0.00 0.00 179.45 179.47 1iaq h SER 17 N -0.36 0.39 -0.73 0.86 0.02 -1.95 -2.67 113.55 109.12 1iaq h SER 17 Ca 0.08 -0.24 0.16 0.00 -0.84 0.00 0.00 61.79 60.94 1iaq h SER 17 Cb 0.47 -0.10 -0.11 0.00 0.14 0.00 0.00 62.40 62.79 1iaq h SER 17 CO -0.26 0.54 0.13 0.00 -1.14 0.00 0.00 176.83 176.10 1iaq h ALA 18 N 0.87 0.89 0.79 3.77 0.00 -1.91 0.11 119.26 123.78 1iaq h ALA 18 Ca 0.08 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1iaq h ALA 18 Cb 0.30 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1iaq h ALA 18 CO 0.00 -0.37 -0.38 -0.07 0.00 0.00 0.00 179.25 178.44 1iaq h LEU 19 N 0.22 -0.90 -0.47 0.00 3.38 -1.26 -1.25 115.31 115.04 1iaq h LEU 19 Ca 0.41 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.50 1iaq h LEU 19 Cb 0.71 0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.59 1iaq h LEU 19 CO -0.54 -0.62 -0.20 0.74 0.09 0.00 0.00 178.44 177.91 1iaq h THR 20 N -1.09 0.39 0.00 0.22 2.02 -0.99 0.53 112.91 113.99 1iaq h THR 20 Ca -0.11 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1iaq h THR 20 Cb 0.82 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1iaq h THR 20 CO 0.18 0.00 -0.01 0.40 0.37 0.00 0.00 175.52 176.45 1iaq h ILE 21 N -0.10 0.05 0.01 3.11 2.04 -0.78 -1.70 117.51 120.13 1iaq h ILE 21 Ca 0.22 -0.42 -0.20 0.00 1.00 0.00 0.00 64.86 65.46 1iaq h ILE 21 Cb 0.44 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1iaq h ILE 21 CO -0.53 0.01 -0.93 -0.61 0.00 0.00 0.00 178.15 176.09 1iaq h GLN 22 N 0.00 0.03 0.14 2.37 5.75 0.33 -1.01 115.11 122.72 1iaq h GLN 22 Ca -0.00 -0.04 -0.31 0.00 -0.15 0.00 0.00 58.65 58.15 1iaq h GLN 22 Cb 0.40 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.96 1iaq h GLN 22 CO 0.00 0.94 -1.52 1.25 -2.65 0.00 0.00 178.83 176.85 1iaq h LEU 23 N 0.01 0.45 0.14 -2.39 5.85 -0.81 -2.64 115.31 115.92 1iaq h LEU 23 Ca -0.02 -0.59 -0.27 0.00 0.84 0.00 0.00 57.88 57.84 1iaq h LEU 23 Cb 1.64 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 42.53 1iaq h LEU 23 CO 0.12 1.49 -1.30 0.40 -0.34 0.00 0.00 178.44 178.81 1iaq h ILE 24 N 0.08 1.15 -0.01 4.05 1.08 -1.41 -3.39 117.51 119.07 1iaq h ILE 24 Ca -0.24 -2.46 -0.00 0.00 -0.39 0.00 0.00 64.86 61.76 1iaq h ILE 24 Cb 2.03 2.86 -0.00 0.00 -3.07 0.00 0.00 36.82 38.64 1iaq h ILE 24 CO 0.18 0.73 -0.27 0.00 -0.69 0.00 0.00 178.15 178.10 1iaq n GLN 25 N -3.93 1.47 -3.51 2.37 6.02 -0.39 -5.03 117.38 114.37 1iaq n GLN 25 Ca -0.22 -2.98 -0.26 0.00 -0.01 0.00 0.00 57.00 53.54 1iaq n GLN 25 Cb 0.91 -1.57 -0.05 0.00 1.02 0.00 0.00 30.24 30.54 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 -1.26 -0.77 -3.60 1.08 4.13 -0.99 -4.90 115.26 108.96 1iaq n ASN 26 Ca 0.18 -0.81 -0.11 0.00 1.68 0.00 0.00 54.58 55.52 1iaq n ASN 26 Cb 0.67 -1.03 -0.04 0.00 -1.54 0.00 0.00 39.78 37.84 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 -0.26 -0.03 3.10 -3.43 -1.25 -5.01 115.29 105.63 1iaq s HIS 27 Ca 0.42 -0.04 -0.23 0.00 -0.80 0.00 0.00 55.06 54.41 1iaq s HIS 27 Cb -0.24 0.30 -0.04 0.00 -1.43 0.00 0.00 32.58 31.17 1iaq s HIS 27 CO 0.66 -0.72 0.68 0.12 -2.00 0.00 0.00 174.74 173.47 1iaq s PHE 28 N -3.77 3.63 0.00 0.38 5.36 -1.26 -3.95 117.98 118.37 1iaq s PHE 28 Ca 0.02 1.26 0.00 0.00 -0.96 0.00 0.00 56.93 57.26 1iaq s PHE 28 Cb 0.01 -2.75 0.00 0.00 -0.34 0.00 0.00 43.02 39.95 1iaq s PHE 28 CO -0.12 0.19 0.99 0.28 -1.46 0.00 0.00 175.22 175.10 1iaq n VAL 29 N 3.33 0.00 -0.49 3.12 0.31 -1.26 -4.95 118.33 118.40 1iaq n VAL 29 Ca -0.03 1.49 0.00 0.00 -0.01 0.00 0.00 64.34 65.78 1iaq n VAL 29 Cb 0.51 -2.47 0.00 0.00 -0.91 0.00 0.00 33.84 30.97 1iaq n VAL 29 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1iaq n ASP 30 N -1.98 0.00 0.00 4.52 10.43 -1.26 -5.19 116.55 123.07 1iaq n ASP 30 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1iaq n ASP 30 Cb 0.00 -0.55 0.00 0.00 1.84 0.00 0.00 41.12 42.41 1iaq n ASP 30 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 1iaq n GLU 31 N -2.00 0.00 0.00 -1.24 0.28 -1.26 -5.29 120.64 111.13 1iaq n GLU 31 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1iaq n GLU 31 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1iaq n GLU 31 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1iaq n ASP 38 N 0.00 0.00 -3.75 -1.84 8.00 -1.26 -5.15 116.55 112.55 1iaq n ASP 38 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 1iaq n ASP 38 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 40.93 1iaq n ASP 38 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1iaq s SER 39 N 0.00 2.14 -0.22 -2.24 0.01 -1.26 -4.09 113.70 108.04 1iaq s SER 39 Ca 0.00 -0.40 -0.09 0.00 1.31 0.00 0.00 55.95 56.77 1iaq s SER 39 Cb 0.00 -0.50 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 1iaq s SER 39 CO 0.00 -0.24 0.12 -0.31 0.41 0.00 0.00 173.24 173.22 1iaq s TYR 40 N 1.93 3.27 0.29 2.43 1.51 -0.01 -4.96 117.35 121.80 1iaq s TYR 40 Ca 0.03 0.10 0.05 0.00 -1.01 0.00 0.00 57.07 56.24 1iaq s TYR 40 Cb -0.14 -2.21 -0.02 0.00 -0.11 0.00 0.00 41.96 39.48 1iaq s TYR 40 CO -0.07 0.04 0.42 1.03 -1.11 0.00 0.00 175.55 175.87 1iaq s ARG 41 N 0.91 3.31 -0.30 -0.62 1.81 -1.26 -0.58 118.95 122.22 1iaq s ARG 41 Ca 0.06 -0.83 -0.17 0.00 -1.72 0.00 0.00 55.73 53.08 1iaq s ARG 41 Cb -0.13 -2.84 0.18 0.00 -0.45 0.00 0.00 34.95 31.70 1iaq s ARG 41 CO 0.03 0.26 1.12 0.21 -0.68 0.00 0.00 175.30 176.24 1iaq s LYS 42 N -4.08 0.19 -0.11 3.54 2.47 -0.99 -4.97 119.74 115.79 1iaq s LYS 42 Ca 0.39 0.42 -0.23 0.00 -1.56 0.00 0.00 55.97 54.99 1iaq s LYS 42 Cb -0.09 0.20 -0.03 0.00 -1.46 0.00 0.00 37.83 36.45 1iaq s LYS 42 CO 0.30 -0.06 0.69 -1.14 0.16 0.00 0.00 175.35 175.31 1iaq s GLN 43 N 1.97 4.37 0.07 4.03 2.00 -1.26 -1.27 119.66 129.56 1iaq s GLN 43 Ca -0.03 0.82 -0.20 0.00 -2.00 0.00 0.00 55.36 53.95 1iaq s GLN 43 Cb -0.03 -3.49 0.05 0.00 0.80 0.00 0.00 33.01 30.33 1iaq s GLN 43 CO -0.16 -0.04 0.48 0.14 -0.50 0.00 0.00 175.29 175.21 1iaq s VAL 44 N 1.18 0.04 -0.19 1.34 -7.23 -0.92 -5.00 120.40 109.62 1iaq s VAL 44 Ca 0.35 -0.34 -0.03 0.00 -1.81 0.00 0.00 61.98 60.15 1iaq s VAL 44 Cb -0.17 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.75 1iaq s VAL 44 CO 0.15 -0.19 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.00 1iaq s VAL 45 N -2.77 3.39 -0.16 1.32 1.01 -1.26 -1.53 120.40 120.39 1iaq s VAL 45 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1iaq s VAL 45 Cb -0.00 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1iaq s VAL 45 CO -0.04 0.46 -0.13 -0.63 0.00 0.00 0.00 175.10 174.76 1iaq s ILE 46 N 1.00 1.59 -1.44 2.22 1.01 -0.32 -4.71 121.20 120.55 1iaq s ILE 46 Ca -0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 1iaq s ILE 46 Cb -0.15 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.79 1iaq s ILE 46 CO 0.00 0.36 0.96 0.47 0.00 0.00 0.00 174.94 176.73 1iaq n ASP 47 N 4.74 -6.05 0.00 3.58 10.43 -1.26 -2.87 116.55 125.12 1iaq n ASP 47 Ca -0.16 -0.48 0.00 0.00 2.57 0.00 0.00 54.79 56.72 1iaq n ASP 47 Cb 0.49 -4.81 0.00 0.00 1.84 0.00 0.00 41.12 38.63 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 -1.80 2.07 3.52 0.44 0.00 -1.26 -4.99 105.19 103.17 1iaq n GLY 48 Ca -0.03 -0.32 -0.44 0.00 0.00 0.00 0.00 46.02 45.23 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 0.87 -3.93 1.61 2.13 -1.14 -4.91 120.64 115.28 1iaq n GLU 49 Ca 0.00 0.31 -0.36 0.00 0.66 0.00 0.00 57.16 57.76 1iaq n GLU 49 Cb 0.00 -1.59 -0.06 0.00 0.27 0.00 0.00 31.44 30.06 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 -1.15 5.39 0.19 6.31 -1.32 -1.26 -1.18 115.64 122.62 1iaq s THR 50 Ca 0.61 0.12 -0.21 0.00 -1.21 0.00 0.00 61.69 61.00 1iaq s THR 50 Cb -0.72 -3.37 0.05 0.00 -1.51 0.00 0.00 72.50 66.95 1iaq s THR 50 CO 0.59 0.58 0.59 0.00 -2.21 0.00 0.00 174.62 174.17 1iaq s LEU 52 N -2.81 3.92 -0.42 0.00 2.96 -0.11 -2.17 118.68 120.05 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 0.43 -0.76 -1.32 0.00 0.00 176.35 174.66 1iaq s LEU 53 N 1.29 4.90 -0.58 -0.68 1.02 -0.40 -1.22 118.68 123.02 1iaq s LEU 53 Ca 0.07 -0.71 -0.14 0.00 0.02 0.00 0.00 54.13 53.37 1iaq s LEU 53 Cb -0.14 -2.37 0.14 0.00 0.02 0.00 0.00 46.19 43.84 1iaq s LEU 53 CO 0.06 -0.58 0.51 -0.62 0.02 0.00 0.00 176.35 175.73 1iaq s ASP 54 N 1.84 6.15 -0.27 2.29 -1.08 -0.03 -2.34 116.67 123.22 1iaq s ASP 54 Ca 0.12 -2.01 -0.13 0.00 -0.52 0.00 0.00 52.55 50.01 1iaq s ASP 54 Cb -0.17 -2.15 -0.04 0.00 -1.46 0.00 0.00 42.92 39.09 1iaq s ASP 54 CO 0.13 -0.76 0.26 -0.63 0.52 0.00 0.00 175.17 174.70 1iaq s ILE 55 N 1.25 5.26 -0.47 4.11 1.01 0.25 -1.12 121.20 131.49 1iaq s ILE 55 Ca 0.07 0.33 -0.10 0.00 0.00 0.00 0.00 60.65 60.95 1iaq s ILE 55 Cb -0.25 -3.60 0.11 0.00 0.01 0.00 0.00 42.46 38.73 1iaq s ILE 55 CO -0.00 0.22 0.35 -0.22 0.00 0.00 0.00 174.94 175.28 1iaq s LEU 56 N 1.86 5.65 -0.10 2.97 2.96 -0.66 -0.83 118.68 130.53 1iaq s LEU 56 Ca 0.10 -1.82 -0.30 0.00 -0.22 0.00 0.00 54.13 51.89 1iaq s LEU 56 Cb -0.16 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 1iaq s LEU 56 CO 0.10 -0.68 1.13 -0.62 -1.32 0.00 0.00 176.35 174.97 1iaq s ASP 57 N 2.66 7.10 0.46 3.68 -1.08 -1.26 -2.95 116.67 125.29 1iaq s ASP 57 Ca 0.05 1.67 0.08 0.00 -0.52 0.00 0.00 52.55 53.84 1iaq s ASP 57 Cb -0.26 -2.55 0.03 0.00 -1.46 0.00 0.00 42.92 38.68 1iaq s ASP 57 CO 0.00 -0.57 0.61 0.42 0.52 0.00 0.00 175.17 176.15 1iaq s THR 58 N 2.41 2.73 0.27 1.71 -4.23 -1.16 -4.98 115.64 112.38 1iaq s THR 58 Ca 0.52 -1.03 -0.28 0.00 -1.18 0.00 0.00 61.69 59.72 1iaq s THR 58 Cb -0.21 -2.76 -0.09 0.00 1.34 0.00 0.00 72.50 70.77 1iaq s THR 58 CO 0.18 0.00 0.93 0.00 -0.54 0.00 0.00 174.62 175.19 1iaq s ALA 59 N -2.45 3.30 0.00 3.99 0.00 -1.26 -4.92 121.76 120.41 1iaq s ALA 59 Ca 0.56 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1iaq s ALA 59 Cb -0.08 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1iaq s ALA 59 CO 0.34 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.71 1iaq n GLY 60 N 1.13 -1.94 2.88 0.00 0.00 -1.26 -4.76 105.19 101.23 1iaq n GLY 60 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 61 N 0.00 0.00 -2.15 1.61 7.27 -1.26 -4.51 117.38 118.35 1iaq n GLN 61 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.76 1iaq n GLN 61 Cb 0.00 -0.96 -0.05 0.00 2.41 0.00 0.00 30.24 31.64 1iaq n GLN 61 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1iaq n GLU 62 N 2.40 1.87 -2.71 3.69 0.28 -1.26 -4.97 120.64 119.93 1iaq n GLU 62 Ca -0.02 -2.60 -0.07 0.00 -0.16 0.00 0.00 57.16 54.31 1iaq n GLU 62 Cb 0.67 -3.69 0.10 0.00 1.43 0.00 0.00 31.44 29.95 1iaq n GLU 62 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1iaq n GLU 63 N 8.28 0.76 0.00 3.44 -0.00 -1.26 -5.26 120.64 126.60 1iaq n GLU 63 Ca 0.46 -1.56 0.00 0.00 -0.00 0.00 0.00 57.16 56.05 1iaq n GLU 63 Cb 0.46 -0.76 0.00 0.00 -0.00 0.00 0.00 31.44 31.14 1iaq n GLU 63 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 1iaq n TYR 71 N 0.39 0.00 0.20 -1.84 -0.00 -1.26 -4.91 117.16 109.74 1iaq n TYR 71 Ca 0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 57.96 1iaq n TYR 71 Cb 0.72 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 40.00 1iaq n TYR 71 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 1iaq n MET 72 N -0.52 2.32 0.10 -3.48 2.81 -1.26 -4.06 117.12 113.03 1iaq n MET 72 Ca 0.00 -0.04 0.13 0.00 -1.81 0.00 0.00 57.70 55.98 1iaq n MET 72 Cb 0.00 -1.04 0.34 0.00 -0.71 0.00 0.00 33.22 31.81 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 0.08 0.03 2.43 -2.00 -3.29 114.38 111.63 1iaq h ARG 73 Ca 0.00 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.94 1iaq h ARG 73 Cb 0.29 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1iaq h ARG 73 CO 0.00 0.00 -1.16 1.79 -1.51 0.00 0.00 179.97 179.09 1iaq h THR 74 N 0.00 1.14 -2.53 0.20 1.35 -1.93 -3.47 112.91 107.66 1iaq h THR 74 Ca 0.00 -2.36 -0.60 0.00 -0.55 0.00 0.00 66.41 62.90 1iaq h THR 74 Cb 0.76 2.74 0.13 0.00 -1.73 0.00 0.00 68.15 70.04 1iaq h THR 74 CO 0.00 0.62 -0.03 0.61 -0.25 0.00 0.00 175.52 176.46 1iaq n GLY 75 N 1.66 -0.64 0.12 5.82 0.00 -1.24 -4.93 105.19 105.98 1iaq n GLY 75 Ca -0.24 0.20 -0.16 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 0.52 0.68 -4.43 1.61 1.02 0.13 -4.98 120.64 115.19 1iaq n GLU 76 Ca 0.10 0.14 -0.21 0.00 -0.02 0.00 0.00 57.16 57.17 1iaq n GLU 76 Cb 0.36 -1.57 -0.14 0.00 -0.02 0.00 0.00 31.44 30.07 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 -5.99 0.85 -0.03 0.62 0.00 -0.73 -4.34 107.32 97.72 1iaq s GLY 77 Ca -0.24 -0.86 0.08 0.00 0.00 0.00 0.00 44.72 43.69 1iaq s GLY 77 CO 0.71 -0.82 -0.25 -1.36 0.00 0.00 0.00 173.10 171.37 1iaq s PHE 78 N -0.81 2.37 -0.51 1.90 0.08 -0.26 -0.28 117.98 120.47 1iaq s PHE 78 Ca 0.03 -0.44 -0.05 0.00 0.12 0.00 0.00 56.93 56.59 1iaq s PHE 78 Cb -0.08 -1.52 0.13 0.00 -0.57 0.00 0.00 43.02 40.99 1iaq s PHE 78 CO 0.01 -0.04 0.34 -0.51 -0.10 0.00 0.00 175.22 174.92 1iaq s LEU 79 N -0.58 5.41 -0.46 -0.37 1.43 0.05 -0.83 118.68 123.33 1iaq s LEU 79 Ca 0.09 -2.30 -0.27 0.00 -1.03 0.00 0.00 54.13 50.62 1iaq s LEU 79 Cb -0.10 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.25 1iaq s LEU 79 CO -0.01 -0.52 1.03 0.00 0.23 0.00 0.00 176.35 177.08 1iaq s VAL 81 N 4.07 4.06 0.02 0.00 1.01 -0.42 0.15 120.40 129.28 1iaq s VAL 81 Ca 0.42 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 1iaq s VAL 81 Cb -0.09 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.42 1iaq s VAL 81 CO 0.28 0.17 0.44 0.72 0.00 0.00 0.00 175.10 176.71 1iaq s PHE 82 N -1.27 -0.32 0.04 5.22 -0.12 -0.34 -3.86 117.98 117.34 1iaq s PHE 82 Ca 0.25 0.39 -0.12 0.00 -0.05 0.00 0.00 56.93 57.39 1iaq s PHE 82 Cb -0.12 0.23 -0.06 0.00 -0.63 0.00 0.00 43.02 42.45 1iaq s PHE 82 CO 0.17 -0.54 0.39 0.00 -0.05 0.00 0.00 175.22 175.19 1iaq s ALA 83 N -2.04 3.72 -1.14 1.99 0.00 -1.26 -0.43 121.76 122.60 1iaq s ALA 83 Ca -0.08 -0.32 0.20 0.00 0.00 0.00 0.00 51.96 51.76 1iaq s ALA 83 Cb -0.02 -2.31 0.92 0.00 0.00 0.00 0.00 23.12 21.72 1iaq s ALA 83 CO 0.01 0.53 1.65 0.44 0.00 0.00 0.00 175.76 178.39 1iaq n ILE 84 N 1.32 0.53 -0.72 0.00 -5.35 -0.74 -2.14 119.36 112.27 1iaq n ILE 84 Ca -0.11 0.13 0.08 0.00 -0.27 0.00 0.00 62.75 62.58 1iaq n ILE 84 Cb 0.52 -0.79 0.30 0.00 -1.74 0.00 0.00 39.64 37.94 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 -1.43 4.34 -3.55 7.28 6.94 -1.26 -0.62 115.26 126.96 1iaq n ASN 85 Ca 0.07 -2.65 -0.29 0.00 -0.02 0.00 0.00 54.58 51.69 1iaq n ASN 85 Cb 0.21 -0.53 -0.14 0.00 -2.36 0.00 0.00 39.78 36.97 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 3.44 0.23 0.53 3.04 -0.91 -4.80 114.94 115.22 1iaq s ASN 86 Ca 0.44 -1.70 -0.08 0.00 0.04 0.00 0.00 52.86 51.56 1iaq s ASN 86 Cb 0.31 -0.48 0.23 0.00 -1.54 0.00 0.00 41.25 39.77 1iaq s ASN 86 CO 0.16 -0.39 1.89 0.74 -3.04 0.00 0.00 177.10 176.47 1iaq h THR 87 N 5.92 1.18 -0.61 -5.21 2.02 -1.87 -2.61 112.91 111.73 1iaq h THR 87 Ca -0.10 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 1iaq h THR 87 Cb 0.99 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1iaq h THR 87 CO 0.39 0.20 0.30 0.50 0.37 0.00 0.00 175.52 177.29 1iaq h LYS 88 N 1.12 0.87 -0.39 6.66 3.64 -1.95 -1.27 116.57 125.26 1iaq h LYS 88 Ca 0.33 -0.12 0.11 0.00 -1.27 0.00 0.00 60.65 59.69 1iaq h LYS 88 Cb -0.07 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 1iaq h LYS 88 CO -0.09 0.69 0.28 0.66 -2.27 0.00 0.00 179.45 178.72 1iaq h SER 89 N 0.83 0.02 0.04 4.20 4.64 -1.81 0.12 113.55 121.59 1iaq h SER 89 Ca 0.21 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.28 1iaq h SER 89 Cb 0.10 -0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1iaq h SER 89 CO -0.03 0.01 -0.99 0.15 -0.87 0.00 0.00 176.83 175.10 1iaq h PHE 90 N 0.02 0.97 0.00 4.77 3.04 -1.08 -3.09 116.94 121.58 1iaq h PHE 90 Ca 0.18 -0.52 0.00 0.00 3.98 0.00 0.00 57.97 61.62 1iaq h PHE 90 Cb 0.71 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.10 1iaq h PHE 90 CO -0.00 1.35 0.00 0.93 -2.02 0.00 0.00 178.31 178.57 1iaq h GLU 91 N 0.39 0.00 0.00 1.11 5.08 0.16 -3.01 114.58 118.31 1iaq h GLU 91 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1iaq h GLU 91 Cb 1.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1iaq h GLU 91 CO 0.19 0.00 -0.43 -0.25 -1.00 0.00 0.00 179.01 177.52 1iaq n ASP 92 N -2.71 0.67 -0.15 1.42 8.00 0.18 -4.15 116.55 119.81 1iaq n ASP 92 Ca 0.02 0.21 -0.03 0.00 0.71 0.00 0.00 54.79 55.70 1iaq n ASP 92 Cb 0.29 -0.09 0.05 0.00 -0.02 0.00 0.00 41.12 41.34 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 0.61 -0.91 0.53 1.08 -1.56 -0.97 117.51 116.29 1iaq h ILE 93 Ca 0.00 -0.03 0.21 0.00 -0.39 0.00 0.00 64.86 64.65 1iaq h ILE 93 Cb 0.71 0.51 -0.12 0.00 -3.07 0.00 0.00 36.82 34.85 1iaq h ILE 93 CO 0.00 0.02 0.46 -0.74 -0.69 0.00 0.00 178.15 177.20 1iaq h HIS 94 N 0.09 0.78 0.20 1.37 2.76 -1.81 0.85 115.15 119.38 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 -0.32 0.05 -0.23 0.37 -1.30 0.00 0.00 177.93 176.50 1iaq h GLN 95 N 0.51 -0.46 -0.35 5.26 4.15 -1.43 -1.80 115.11 121.00 1iaq h GLN 95 Ca 0.56 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.97 1iaq h GLN 95 Cb 0.99 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 1iaq h GLN 95 CO -0.47 -0.30 0.06 1.88 -1.93 0.00 0.00 178.83 178.07 1iaq h TYR 96 N -0.47 0.62 -0.87 3.99 0.05 -1.10 -1.52 116.97 117.66 1iaq h TYR 96 Ca 0.01 -0.08 0.20 0.00 0.05 0.00 0.00 58.73 58.90 1iaq h TYR 96 Cb 0.46 -0.17 -0.12 0.00 1.01 0.00 0.00 36.73 37.91 1iaq h TYR 96 CO -0.18 0.63 0.39 -0.09 -1.05 0.00 0.00 178.16 177.87 1iaq h ARG 97 N 0.42 0.43 -0.01 4.88 9.65 -0.75 0.18 114.38 129.18 1iaq h ARG 97 Ca 0.11 -0.03 -0.15 0.00 -1.10 0.00 0.00 59.98 58.81 1iaq h ARG 97 Cb 0.35 -0.10 0.01 0.00 -1.39 0.00 0.00 29.97 28.84 1iaq h ARG 97 CO 0.01 0.29 -0.59 0.93 2.80 0.00 0.00 179.97 183.40 1iaq h GLU 98 N 0.45 0.43 -0.38 0.20 4.39 -1.15 -0.95 114.58 117.56 1iaq h GLU 98 Ca 0.53 -0.44 0.07 0.00 0.34 0.00 0.00 59.36 59.86 1iaq h GLU 98 Cb 0.94 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 1iaq h GLU 98 CO -0.49 1.10 0.26 0.37 -1.16 0.00 0.00 179.01 179.09 1iaq h GLN 99 N -0.07 0.19 0.25 2.33 4.15 -0.16 0.11 115.11 121.92 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 1.29 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1iaq h GLN 99 CO 0.12 0.13 -0.12 0.82 -1.93 0.00 0.00 178.83 177.84 1iaq h ILE 100 N 0.20 0.06 -0.98 2.39 2.04 -0.65 -2.80 117.51 117.76 1iaq h ILE 100 Ca 0.17 -0.78 0.29 0.00 1.00 0.00 0.00 64.86 65.54 1iaq h ILE 100 Cb 0.43 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 1iaq h ILE 100 CO -0.03 0.02 0.90 0.50 0.00 0.00 0.00 178.15 179.54 1iaq h LYS 101 N -1.08 0.00 0.07 2.37 3.64 -0.81 -2.20 116.57 118.56 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 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.11 1iaq h ARG 102 N 0.00 -0.10 -1.87 1.90 2.43 -0.78 -3.26 114.38 112.70 1iaq h ARG 102 Ca 0.47 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 1iaq h ARG 102 Cb 2.26 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.83 1iaq h ARG 102 CO -0.00 -0.06 0.00 1.33 -1.51 0.00 0.00 179.97 179.72 1iaq n VAL 103 N -3.37 0.76 -1.91 0.20 0.24 -0.83 -2.28 118.33 111.14 1iaq n VAL 103 Ca -0.01 -0.16 -0.05 0.00 -2.04 0.00 0.00 64.34 62.08 1iaq n VAL 103 Cb 0.04 -1.08 -0.04 0.00 -1.47 0.00 0.00 33.84 31.29 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 1.49 0.07 -1.88 7.34 5.02 -1.20 -4.51 118.16 124.49 1iaq n LYS 104 Ca 0.00 -0.74 0.00 0.00 -2.02 0.00 0.00 58.31 55.55 1iaq n LYS 104 Cb 0.22 0.49 0.00 0.00 -0.02 0.00 0.00 35.03 35.72 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 -0.08 0.00 -3.72 4.39 8.00 -0.96 -4.82 116.55 119.36 1iaq n ASP 105 Ca -0.20 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.18 1iaq n ASP 105 Cb 0.59 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.59 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 -2.51 -0.46 0.41 -2.24 0.15 -1.23 -5.03 113.70 102.79 1iaq s SER 106 Ca 0.00 0.86 0.23 0.00 0.70 0.00 0.00 55.95 57.74 1iaq s SER 106 Cb 0.00 0.84 0.32 0.00 -1.71 0.00 0.00 66.02 65.48 1iaq s SER 106 CO 0.00 -0.16 1.56 0.44 1.20 0.00 0.00 173.24 176.28 1iaq h ASP 107 N 5.87 0.00 -3.27 5.45 3.32 -1.87 -3.43 116.42 122.49 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 0.25 0.00 -0.76 1.51 -1.72 0.00 0.00 179.24 178.52 1iaq s ASP 108 N -6.05 2.86 -0.03 6.45 -4.77 -1.26 -5.08 116.67 108.79 1iaq s ASP 108 Ca 0.06 -0.79 0.06 0.00 -3.30 0.00 0.00 52.55 48.58 1iaq s ASP 108 Cb 0.06 -0.60 -0.01 0.00 -1.09 0.00 0.00 42.92 41.28 1iaq s ASP 108 CO 0.68 -0.30 -0.20 -0.69 0.70 0.00 0.00 175.17 175.36 1iaq s VAL 109 N 1.86 1.58 -0.03 2.11 1.01 -1.26 -5.09 120.40 120.58 1iaq s VAL 109 Ca -0.01 -0.83 -0.38 0.00 0.00 0.00 0.00 61.98 60.76 1iaq s VAL 109 Cb -0.17 -1.33 -0.16 0.00 0.00 0.00 0.00 36.38 34.72 1iaq s VAL 109 CO -0.08 0.45 1.48 -2.65 0.00 0.00 0.00 175.10 174.30 1iaq n PRO 110 N 2.78 1.20 -3.59 2.72 -0.02 -1.26 -4.90 135.00 131.93 1iaq n PRO 110 Ca -0.16 0.43 -0.08 0.00 -2.02 0.00 0.00 63.50 61.67 1iaq n PRO 110 Cb 0.53 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 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 1.52 0.47 -0.03 -0.52 0.00 -1.26 -1.10 119.30 118.38 1iaq s MET 111 Ca 0.89 0.08 0.01 0.00 0.00 0.00 0.00 55.69 56.67 1iaq s MET 111 Cb -0.98 0.22 0.01 0.00 0.00 0.00 0.00 34.83 34.09 1iaq s MET 111 CO 0.52 -0.16 -0.05 0.08 0.00 0.00 0.00 175.02 175.42 1iaq s VAL 112 N -1.26 0.52 -0.04 10.11 1.01 -0.01 -4.23 120.40 126.50 1iaq s VAL 112 Ca 0.01 -0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.56 1iaq s VAL 112 Cb -0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1iaq s VAL 112 CO -0.01 0.19 0.79 -0.22 0.00 0.00 0.00 175.10 175.85 1iaq s LEU 113 N 0.51 4.34 -0.10 3.92 2.96 -0.08 -1.34 118.68 128.88 1iaq s LEU 113 Ca -0.07 1.35 0.02 0.00 -0.22 0.00 0.00 54.13 55.21 1iaq s LEU 113 Cb -0.10 -3.25 0.01 0.00 0.50 0.00 0.00 46.19 43.36 1iaq s LEU 113 CO 0.00 -0.16 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.04 1iaq s VAL 114 N 0.82 1.47 -0.51 1.68 1.01 0.12 -1.55 120.40 123.44 1iaq s VAL 114 Ca 0.42 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 1iaq s VAL 114 Cb -0.19 -1.34 0.11 0.00 0.00 0.00 0.00 36.38 34.97 1iaq s VAL 114 CO 0.22 0.43 0.44 -0.83 0.00 0.00 0.00 175.10 175.35 1iaq s GLY 115 N 0.97 2.06 0.66 4.51 0.00 -0.43 -1.19 107.32 113.90 1iaq s GLY 115 Ca -0.07 -2.44 -0.05 0.00 0.00 0.00 0.00 44.72 42.16 1iaq s GLY 115 CO -0.01 1.14 0.95 0.21 0.00 0.00 0.00 173.10 175.39 1iaq s ASN 116 N 3.15 4.98 -1.09 1.64 2.47 0.43 -1.15 114.94 125.36 1iaq s ASN 116 Ca 0.04 0.38 -0.03 0.00 0.42 0.00 0.00 52.86 53.67 1iaq s ASN 116 Cb -0.28 -1.12 0.00 0.00 -1.45 0.00 0.00 41.25 38.41 1iaq s ASN 116 CO 0.03 -1.45 0.35 0.29 -3.72 0.00 0.00 177.10 172.60 1iaq n LYS 117 N -2.77 -3.01 0.00 0.43 5.02 -0.34 -1.79 118.16 115.71 1iaq n LYS 117 Ca 0.08 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 0.11 0.00 -0.02 0.00 0.00 35.03 30.82 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 -0.62 1.20 -4.97 0.00 5.75 -1.26 -4.93 116.55 111.72 1iaq n ASP 119 Ca 0.03 -1.00 -0.22 0.00 -0.01 0.00 0.00 54.79 53.60 1iaq n ASP 119 Cb 0.01 0.20 0.03 0.00 -1.03 0.00 0.00 41.12 40.34 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 -2.50 3.31 -0.01 -2.12 1.43 -1.02 -5.01 118.68 112.75 1iaq s LEU 120 Ca 0.23 0.05 0.11 0.00 -1.03 0.00 0.00 54.13 53.50 1iaq s LEU 120 Cb 0.19 -2.93 -0.15 0.00 0.03 0.00 0.00 46.19 43.34 1iaq s LEU 120 CO 0.53 -1.10 0.37 0.00 0.23 0.00 0.00 176.35 176.39 1iaq n ALA 121 N -2.33 3.00 -2.18 4.21 0.00 -1.26 -4.70 120.51 117.25 1iaq n ALA 121 Ca 0.07 -0.30 -0.43 0.00 0.00 0.00 0.00 53.44 52.79 1iaq n ALA 121 Cb 0.59 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.54 5.02 -2.69 0.00 0.00 -1.26 -4.94 120.51 115.09 1iaq n ALA 122 Ca 0.00 -4.05 -0.36 0.00 0.00 0.00 0.00 53.44 49.03 1iaq n ALA 122 Cb 0.23 -3.32 -0.09 0.00 0.00 0.00 0.00 19.45 16.27 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 2.28 4.14 0.00 0.00 3.52 -1.26 -4.12 118.95 123.51 1iaq s ARG 123 Ca 0.45 -0.19 0.04 0.00 -0.13 0.00 0.00 55.73 55.91 1iaq s ARG 123 Cb 0.09 -3.48 0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1iaq s ARG 123 CO -0.02 0.16 0.66 0.25 -0.81 0.00 0.00 175.30 175.54 1iaq n THR 124 N 3.93 0.05 -3.91 4.11 -2.24 0.21 -4.94 114.28 111.49 1iaq n THR 124 Ca -0.15 -0.52 -0.30 0.00 -2.27 0.00 0.00 64.05 60.81 1iaq n THR 124 Cb 0.52 1.06 -0.16 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.40 1.34 0.74 2.28 1.01 -1.07 -4.82 120.40 119.48 1iaq s VAL 125 Ca 0.05 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 1iaq s VAL 125 Cb 0.04 -1.58 0.05 0.00 0.00 0.00 0.00 36.38 34.88 1iaq s VAL 125 CO 0.06 -0.02 1.16 -1.61 0.00 0.00 0.00 175.10 174.68 1iaq s GLU 126 N 1.50 2.16 0.15 2.72 0.41 -1.26 -4.92 118.70 119.46 1iaq s GLU 126 Ca -0.03 1.57 -0.08 0.00 -0.41 0.00 0.00 54.97 56.02 1iaq s GLU 126 Cb -0.17 -1.86 -0.00 0.00 -1.78 0.00 0.00 34.13 30.32 1iaq s GLU 126 CO -0.07 -1.78 1.44 0.77 -0.49 0.00 0.00 175.26 175.13 1iaq h SER 127 N -0.54 0.80 -0.67 -0.19 0.02 -2.00 -2.36 113.55 108.62 1iaq h SER 127 Ca -0.46 -0.44 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 1.21 0.47 -0.09 -1.14 0.00 0.00 176.83 177.77 1iaq h ARG 128 N 0.54 0.13 -0.06 3.45 9.65 -1.99 0.26 114.38 126.36 1iaq h ARG 128 Ca 0.00 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 1iaq h ARG 128 Cb 1.16 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.71 1iaq h ARG 128 CO 0.12 0.09 -0.10 1.96 2.80 0.00 0.00 179.97 184.83 1iaq h GLN 129 N 0.13 0.18 -0.48 0.20 4.20 -1.79 -2.76 115.11 114.79 1iaq h GLN 129 Ca 0.32 -0.11 -0.13 0.00 0.06 0.00 0.00 58.65 58.80 1iaq h GLN 129 Cb 1.10 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 1iaq h GLN 129 CO -0.04 0.67 -0.21 0.00 -0.67 0.00 0.00 178.83 178.57 1iaq h ALA 130 N 0.50 0.71 0.06 3.87 0.00 -0.98 -2.93 119.26 120.48 1iaq h ALA 130 Ca 0.01 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1iaq h ALA 130 Cb 0.66 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1iaq h ALA 130 CO 0.02 0.67 -0.15 1.96 0.00 0.00 0.00 179.25 181.76 1iaq h GLN 131 N 0.85 -0.27 -0.55 0.00 4.20 -0.62 0.55 115.11 119.28 1iaq h GLN 131 Ca 0.11 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.95 1iaq h GLN 131 Cb 0.79 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 28.54 1iaq h GLN 131 CO 0.07 -0.18 -0.01 -0.44 -0.67 0.00 0.00 178.83 177.60 1iaq h ASP 132 N -0.28 -0.25 -0.47 1.46 3.45 -1.46 0.11 116.42 118.98 1iaq h ASP 132 Ca 0.03 0.14 -0.01 0.00 0.43 0.00 0.00 57.03 57.62 1iaq h ASP 132 Cb 0.31 0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.30 1iaq h ASP 132 CO -0.11 -0.09 0.26 0.25 -1.57 0.00 0.00 179.24 177.98 1iaq h LEU 133 N 0.11 0.60 -0.37 1.55 5.85 -1.26 -1.22 115.31 120.58 1iaq h LEU 133 Ca 0.28 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 1iaq h LEU 133 Cb 0.44 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1iaq h LEU 133 CO -0.47 0.49 -0.09 0.00 -0.34 0.00 0.00 178.44 178.03 1iaq h ALA 134 N 1.61 0.50 -0.68 1.25 0.00 0.14 -2.71 119.26 119.37 1iaq h ALA 134 Ca 0.18 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1iaq h ALA 134 Cb 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1iaq h ALA 134 CO -0.03 0.36 0.30 0.00 0.00 0.00 0.00 179.25 179.88 1iaq h ARG 135 N 0.50 1.00 0.00 0.00 3.08 -0.55 0.70 114.38 119.11 1iaq h ARG 135 Ca 0.09 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1iaq h ARG 135 Cb 0.60 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1iaq h ARG 135 CO 0.04 0.81 0.00 -1.13 -1.07 0.00 0.00 179.97 178.62 1iaq n SER 136 N -4.42 0.42 -0.10 7.04 3.41 -0.50 -2.77 113.62 116.70 1iaq n SER 136 Ca 0.05 0.64 -0.14 0.00 -0.26 0.00 0.00 58.87 59.16 1iaq n SER 136 Cb 0.15 -0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 63.28 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 -2.01 0.00 -0.02 7.33 4.01 -0.27 -5.02 117.16 121.19 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 0.13 -0.83 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 0.70 3.90 2.72 0.00 0.23 -5.05 105.19 110.09 1iaq n GLY 138 Ca -0.37 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.02 4.88 0.58 -0.61 -4.36 -1.10 -5.02 121.20 113.56 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 -3.63 -0.04 0.00 1.25 0.00 0.00 42.46 40.03 1iaq s ILE 139 CO 0.00 -0.32 1.04 -2.84 0.24 0.00 0.00 174.94 173.06 1iaq s PRO 140 N -3.85 3.47 -0.09 0.37 0.02 -1.26 -4.54 135.00 129.11 1iaq s PRO 140 Ca 0.33 1.09 0.04 0.00 0.02 0.00 0.00 61.00 62.48 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 -0.68 -0.21 -0.47 -0.33 0.00 0.00 177.00 175.58 1iaq s TYR 141 N -2.60 2.24 0.00 6.54 5.04 -1.26 -0.90 117.35 126.41 1iaq s TYR 141 Ca 0.61 -0.90 0.00 0.00 -2.44 0.00 0.00 57.07 54.35 1iaq s TYR 141 Cb -0.14 -1.52 -0.00 0.00 0.35 0.00 0.00 41.96 40.64 1iaq s TYR 141 CO 0.38 -0.38 -0.01 0.42 -1.34 0.00 0.00 175.55 174.62 1iaq s ILE 142 N 0.43 0.05 -0.15 3.14 1.01 -0.60 -5.00 121.20 120.09 1iaq s ILE 142 Ca -0.18 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 1iaq s ILE 142 Cb -0.17 -0.08 -0.04 0.00 0.01 0.00 0.00 42.46 42.18 1iaq s ILE 142 CO 0.07 -0.08 0.09 -1.61 0.00 0.00 0.00 174.94 173.41 1iaq s GLU 143 N -0.28 3.66 0.07 2.79 2.02 -1.26 -1.31 118.70 124.40 1iaq s GLU 143 Ca -0.03 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 54.70 1iaq s GLU 143 Cb -0.02 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 31.01 1iaq s GLU 143 CO -0.00 0.52 -0.05 0.95 0.02 0.00 0.00 175.26 176.69 1iaq s THR 144 N -0.31 0.48 -0.28 3.63 -4.23 -0.30 -4.57 115.64 110.06 1iaq s THR 144 Ca 0.09 -1.77 -0.02 0.00 -1.18 0.00 0.00 61.69 58.82 1iaq s THR 144 Cb -0.12 -1.46 0.09 0.00 1.34 0.00 0.00 72.50 72.35 1iaq s THR 144 CO 0.01 -0.86 0.08 -0.55 -0.54 0.00 0.00 174.62 172.76 1iaq s SER 145 N -2.79 3.71 0.00 3.99 0.15 -0.52 -1.19 113.70 117.04 1iaq s SER 145 Ca 0.07 -1.39 0.05 0.00 0.70 0.00 0.00 55.95 55.38 1iaq s SER 145 Cb 0.04 -0.77 0.25 0.00 -1.71 0.00 0.00 66.02 63.83 1iaq s SER 145 CO -0.06 -0.38 1.12 0.00 1.20 0.00 0.00 173.24 175.12 1iaq n ALA 146 N 4.93 1.32 -0.05 5.45 0.00 -1.26 -0.78 120.51 130.11 1iaq n ALA 146 Ca -0.04 -0.02 -0.02 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 18.79 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 -0.47 0.00 3.64 -1.93 -3.36 116.57 114.45 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 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 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 -4.39 0.20 -0.35 1.00 -2.24 -1.14 -4.70 114.28 102.66 1iaq n THR 148 Ca -0.03 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1iaq n THR 148 Cb 0.12 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.11 -0.08 -1.72 -0.78 0.63 0.04 -4.88 116.66 109.76 1iaq n ARG 149 Ca 0.03 0.01 -0.43 0.00 -0.92 0.00 0.00 57.85 56.55 1iaq n ARG 149 Cb 0.20 -3.40 -0.02 0.00 0.45 0.00 0.00 32.46 29.69 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 -0.95 2.60 0.00 -0.14 7.27 -1.13 -2.32 117.38 122.72 1iaq n GLN 150 Ca 0.00 0.93 0.00 0.00 0.07 0.00 0.00 57.00 58.00 1iaq n GLN 150 Cb 0.01 -2.72 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 2.84 1.43 0.46 1.69 0.00 -1.26 -1.44 105.19 108.90 1iaq n GLY 151 Ca 0.12 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.42 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 0.51 0.04 1.61 2.07 -1.76 -1.63 116.25 117.08 1iaq h VAL 152 Ca 0.00 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 1iaq h VAL 152 Cb 0.00 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1iaq h VAL 152 CO 0.00 0.00 -0.85 -0.33 0.02 0.00 0.00 177.57 176.41 1iaq h GLU 153 N 0.00 0.08 -0.63 1.57 5.08 -1.87 -3.27 114.58 115.53 1iaq h GLU 153 Ca 0.40 -0.13 0.13 0.00 -1.00 0.00 0.00 59.36 58.76 1iaq h GLU 153 Cb 1.69 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.88 1iaq h GLU 153 CO -0.00 1.06 0.05 -0.44 -1.00 0.00 0.00 179.01 178.68 1iaq h ASP 154 N -0.79 -0.18 0.08 1.42 3.45 -1.77 0.40 116.42 119.04 1iaq h ASP 154 Ca -0.21 0.15 0.01 0.00 0.43 0.00 0.00 57.03 57.41 1iaq h ASP 154 Cb 1.34 0.24 -0.05 0.00 -0.56 0.00 0.00 39.33 40.30 1iaq h ASP 154 CO -0.05 -0.08 -0.49 0.00 -1.57 0.00 0.00 179.24 177.04 1iaq h ALA 155 N 1.56 -0.96 -0.71 3.45 0.00 -1.48 0.22 119.26 121.34 1iaq h ALA 155 Ca 0.34 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1iaq h ALA 155 Cb 0.55 0.88 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1iaq h ALA 155 CO -0.50 -1.09 0.21 0.74 0.00 0.00 0.00 179.25 178.61 1iaq h PHE 156 N -0.68 1.15 0.00 0.00 -1.00 -1.45 -2.31 116.94 112.65 1iaq h PHE 156 Ca -0.00 -0.12 -0.11 0.00 2.81 0.00 0.00 57.97 60.55 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 -0.46 0.92 -0.52 1.88 -1.61 0.00 0.00 178.31 178.52 1iaq h TYR 157 N 1.06 0.00 -0.26 -0.55 0.05 -0.77 -2.56 116.97 113.95 1iaq h TYR 157 Ca 0.23 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.87 1iaq h TYR 157 Cb 0.32 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.06 1iaq h TYR 157 CO 0.02 0.52 -0.39 1.15 -1.05 0.00 0.00 178.16 178.41 1iaq h THR 158 N 0.00 1.30 -0.56 -2.88 2.02 -0.40 -1.69 112.91 110.70 1iaq h THR 158 Ca -0.01 -1.59 0.04 0.00 0.77 0.00 0.00 66.41 65.63 1iaq h THR 158 Cb 1.08 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 69.15 1iaq h THR 158 CO 0.07 0.51 0.37 0.25 0.37 0.00 0.00 175.52 177.08 1iaq h LEU 159 N 0.45 0.52 -0.02 2.58 5.85 -1.23 0.11 115.31 123.56 1iaq h LEU 159 Ca 0.02 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1iaq h LEU 159 Cb 0.98 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 1iaq h LEU 159 CO 0.09 0.35 -0.02 0.58 -0.34 0.00 0.00 178.44 179.10 1iaq h VAL 160 N 0.59 1.37 -0.16 1.05 2.07 -1.16 -2.13 116.25 117.88 1iaq h VAL 160 Ca 0.23 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.68 1iaq h VAL 160 Cb 0.17 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1iaq h VAL 160 CO -0.06 0.30 0.11 0.03 0.02 0.00 0.00 177.57 177.97 1iaq h ARG 161 N -0.40 0.01 -0.17 1.57 3.08 -0.77 0.99 114.38 118.70 1iaq h ARG 161 Ca 0.00 -0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.91 1iaq h ARG 161 Cb 0.49 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1iaq h ARG 161 CO 0.00 0.01 -0.51 0.93 -1.07 0.00 0.00 179.97 179.33 1iaq h GLU 162 N 0.01 0.46 0.00 0.04 4.39 -0.82 -2.84 114.58 115.83 1iaq h GLU 162 Ca 0.07 -0.27 -0.06 0.00 0.34 0.00 0.00 59.36 59.44 1iaq h GLU 162 Cb 0.28 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1iaq h GLU 162 CO -0.00 0.86 -0.29 0.82 -1.16 0.00 0.00 179.01 179.25 1iaq h ILE 163 N 0.36 0.61 0.00 3.13 2.04 -0.16 -2.69 117.51 120.79 1iaq h ILE 163 Ca 0.01 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.46 1iaq h ILE 163 Cb 1.02 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1iaq h ILE 163 CO 0.09 0.28 0.00 0.54 0.00 0.00 0.00 178.15 179.06 1iaq n ARG 164 N -3.33 0.10 -0.14 2.37 1.74 -0.61 -2.00 116.66 114.78 1iaq n ARG 164 Ca 0.01 0.27 0.03 0.00 -0.77 0.00 0.00 57.85 57.38 1iaq n ARG 164 Cb 0.52 -1.67 0.09 0.00 -1.02 0.00 0.00 32.46 30.38 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 -1.85 1.63 0.00 5.56 1.13 -1.02 -5.10 117.38 117.73 1iaq n GLN 165 Ca 0.04 -0.72 0.00 0.00 -1.94 0.00 0.00 57.00 54.38 1iaq n GLN 165 Cb 0.25 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.26 1iaq n GLN 165 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34