#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqq n ASP 2 N 0.00 2.33 -3.40 9.48 8.00 0.53 -4.96 116.55 128.52 1iqq n ASP 2 Ca 0.00 -0.04 -0.08 0.00 0.71 0.00 0.00 54.79 55.38 1iqq n ASP 2 Cb 0.00 0.28 -0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1iqq n ASP 2 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1iqq s TYR 3 N -2.31 0.01 0.03 1.24 -0.85 -0.70 -3.35 117.35 111.42 1iqq s TYR 3 Ca -0.14 -0.56 0.05 0.00 -0.52 0.00 0.00 57.07 55.90 1iqq s TYR 3 Cb 0.05 0.74 -0.03 0.00 0.38 0.00 0.00 41.96 43.09 1iqq s TYR 3 CO 0.44 -1.39 -0.12 -0.06 -1.52 0.00 0.00 175.55 172.90 1iqq s PHE 4 N -3.13 2.72 -0.22 -3.49 0.40 -0.16 0.07 117.98 114.17 1iqq s PHE 4 Ca 0.14 -0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 56.27 1iqq s PHE 4 Cb -0.05 -1.53 -0.01 0.00 0.51 0.00 0.00 43.02 41.93 1iqq s PHE 4 CO 0.10 0.32 -0.02 -0.65 0.70 0.00 0.00 175.22 175.66 1iqq s GLN 5 N -1.48 3.47 -0.37 0.44 -0.21 -0.66 -1.05 119.66 119.80 1iqq s GLN 5 Ca 0.16 -0.58 -0.06 0.00 0.02 0.00 0.00 55.36 54.90 1iqq s GLN 5 Cb -0.11 -3.05 0.07 0.00 1.00 0.00 0.00 33.01 30.92 1iqq s GLN 5 CO 0.07 -0.13 0.15 0.12 -2.12 0.00 0.00 175.29 173.38 1iqq s PHE 6 N 1.34 3.36 -0.16 0.91 5.99 -0.03 -0.64 117.98 128.75 1iqq s PHE 6 Ca 0.04 -1.77 -0.05 0.00 0.00 0.00 0.00 56.93 55.15 1iqq s PHE 6 Cb -0.14 -2.67 -0.03 0.00 0.00 0.00 0.00 43.02 40.18 1iqq s PHE 6 CO -0.01 -0.84 0.01 0.99 -0.00 0.00 0.00 175.22 175.38 1iqq s THR 7 N 1.32 4.34 0.15 0.12 2.01 0.11 -0.96 115.64 122.73 1iqq s THR 7 Ca 0.01 -0.20 0.10 0.00 0.31 0.00 0.00 61.69 61.91 1iqq s THR 7 Cb -0.21 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 1iqq s THR 7 CO 0.00 0.49 -0.19 -1.10 -0.69 0.00 0.00 174.62 173.13 1iqq s GLN 8 N 0.27 1.71 -0.03 4.92 -0.21 -0.18 -0.23 119.66 125.91 1iqq s GLN 8 Ca 0.00 -1.32 0.04 0.00 0.02 0.00 0.00 55.36 54.11 1iqq s GLN 8 Cb -0.13 -2.02 -0.01 0.00 1.00 0.00 0.00 33.01 31.86 1iqq s GLN 8 CO 0.02 0.44 -0.15 1.14 -2.12 0.00 0.00 175.29 174.62 1iqq s GLN 9 N -2.41 1.48 -0.48 2.91 -2.07 0.58 -1.19 119.66 118.48 1iqq s GLN 9 Ca 0.19 -0.55 -0.26 0.00 -1.82 0.00 0.00 55.36 52.93 1iqq s GLN 9 Cb -0.09 -1.34 0.03 0.00 -1.09 0.00 0.00 33.01 30.51 1iqq s GLN 9 CO 0.10 0.26 0.95 -0.47 -1.32 0.00 0.00 175.29 174.81 1iqq s TYR 10 N -0.07 2.89 0.26 9.60 5.04 0.14 -1.58 117.35 133.63 1iqq s TYR 10 Ca -0.00 0.35 -0.02 0.00 -2.44 0.00 0.00 57.07 54.95 1iqq s TYR 10 Cb -0.09 -4.03 0.47 0.00 0.35 0.00 0.00 41.96 38.65 1iqq s TYR 10 CO 0.01 -1.16 1.81 1.96 -1.34 0.00 0.00 175.55 176.82 1iqq h GLN 11 N 9.14 0.78 -0.86 4.97 4.20 -1.30 -1.45 115.11 130.58 1iqq h GLN 11 Ca -0.24 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.50 1iqq h GLN 11 Cb 1.07 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.61 1iqq h GLN 11 CO 1.05 0.52 0.52 1.25 -0.67 0.00 0.00 178.83 181.49 1iqq h LEU 12 N 0.80 0.80 -0.02 1.46 5.85 -1.79 -1.18 115.31 121.23 1iqq h LEU 12 Ca 0.44 0.03 -0.26 0.00 0.84 0.00 0.00 57.88 58.93 1iqq h LEU 12 Cb 0.46 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.37 1iqq h LEU 12 CO -0.28 0.48 -1.09 0.00 -0.34 0.00 0.00 178.44 177.21 1iqq h ALA 13 N 1.43 0.19 -0.93 1.25 0.00 -1.60 -3.14 119.26 116.47 1iqq h ALA 13 Ca 0.39 -0.76 0.07 0.00 0.00 0.00 0.00 54.91 54.62 1iqq h ALA 13 Cb 0.26 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1iqq h ALA 13 CO -0.21 0.79 0.58 0.28 0.00 0.00 0.00 179.25 180.70 1iqq h VAL 14 N 0.23 1.04 0.00 0.00 2.07 -0.84 -1.04 116.25 117.71 1iqq h VAL 14 Ca -0.13 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1iqq h VAL 14 Cb 1.76 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1iqq h VAL 14 CO 0.20 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.98 1iqq n ASN 16 N -1.04 2.44 0.06 0.00 5.15 -0.45 -4.63 115.26 116.79 1iqq n ASN 16 Ca 0.19 -1.79 -0.05 0.00 -0.60 0.00 0.00 54.58 52.34 1iqq n ASN 16 Cb 0.11 -0.13 -0.09 0.00 -0.53 0.00 0.00 39.78 39.14 1iqq n ASN 16 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1iqq h SER 17 N 1.77 0.00 -1.63 1.20 4.64 -0.64 -3.50 113.55 115.38 1iqq h SER 17 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iqq h SER 17 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1iqq h SER 17 CO 0.00 0.86 0.13 -0.46 -0.87 0.00 0.00 176.83 176.49 1iqq n ASN 18 N -3.22 -0.80 0.00 4.97 2.04 -1.26 -4.99 115.26 112.00 1iqq n ASN 18 Ca -0.04 -1.53 0.05 0.00 -0.44 0.00 0.00 54.58 52.61 1iqq n ASN 18 Cb 0.91 1.33 0.27 0.00 -2.53 0.00 0.00 39.78 39.76 1iqq n ASN 18 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1iqq n ARG 19 N -0.21 0.28 -3.57 -3.83 5.12 -1.26 -4.49 116.66 108.69 1iqq n ARG 19 Ca -0.03 0.01 -0.39 0.00 -1.93 0.00 0.00 57.85 55.52 1iqq n ARG 19 Cb 0.22 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 29.91 1iqq n ARG 19 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1iqq s THR 20 N -2.03 5.28 0.35 0.55 2.01 -1.26 -5.06 115.64 115.48 1iqq s THR 20 Ca 0.13 0.04 -0.26 0.00 0.31 0.00 0.00 61.69 61.91 1iqq s THR 20 Cb 0.06 -3.58 -0.09 0.00 0.01 0.00 0.00 72.50 68.90 1iqq s THR 20 CO 0.11 0.17 1.10 -0.22 -0.69 0.00 0.00 174.62 175.08 1iqq s LEU 21 N 1.74 4.31 -0.28 4.42 2.96 -1.26 -4.92 118.68 125.66 1iqq s LEU 21 Ca 0.07 2.20 -0.25 0.00 -0.22 0.00 0.00 54.13 55.93 1iqq s LEU 21 Cb -0.16 -3.93 0.00 0.00 0.50 0.00 0.00 46.19 42.60 1iqq s LEU 21 CO 0.11 -0.40 0.87 0.00 -1.32 0.00 0.00 176.35 175.61 1iqq h LYS 23 N 7.88 0.00 -6.00 0.00 1.57 -0.92 -3.43 116.57 115.67 1iqq h LYS 23 Ca -0.23 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.89 1iqq h LYS 23 Cb 1.09 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.28 1iqq h LYS 23 CO 0.91 0.18 -0.59 -0.51 -0.57 0.00 0.00 179.45 178.87 1iqq s ASP 24 N -6.20 5.55 0.08 0.86 1.01 -1.26 -5.05 116.67 111.65 1iqq s ASP 24 Ca 0.04 0.14 -0.31 0.00 0.71 0.00 0.00 52.55 53.14 1iqq s ASP 24 Cb 0.07 -1.58 -0.07 0.00 1.01 0.00 0.00 42.92 42.35 1iqq s ASP 24 CO 0.67 0.30 1.46 -2.16 0.21 0.00 0.00 175.17 175.65 1iqq s PRO 25 N -1.49 4.27 0.62 8.23 0.04 -1.26 -4.94 135.00 140.47 1iqq s PRO 25 Ca 0.20 2.12 -0.14 0.00 0.04 0.00 0.00 61.00 63.22 1iqq s PRO 25 Cb -0.12 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 1iqq s PRO 25 CO 0.10 -0.55 1.05 -1.25 0.04 0.00 0.00 177.00 176.39 1iqq s PRO 26 N 1.79 3.28 0.33 0.56 0.04 -1.26 -5.06 135.00 134.68 1iqq s PRO 26 Ca 0.67 1.08 0.02 0.00 0.04 0.00 0.00 61.00 62.82 1iqq s PRO 26 Cb -0.36 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 1iqq s PRO 26 CO 0.30 -0.83 0.50 -0.51 0.04 0.00 0.00 177.00 176.50 1iqq s ASP 27 N -3.17 6.20 -1.32 6.66 -0.00 -1.26 -4.83 116.67 118.94 1iqq s ASP 27 Ca 0.61 0.24 -0.07 0.00 -0.00 0.00 0.00 52.55 53.33 1iqq s ASP 27 Cb -0.15 -1.81 0.13 0.00 -0.00 0.00 0.00 42.92 41.09 1iqq s ASP 27 CO 0.42 -0.31 2.21 0.29 -0.00 0.00 0.00 175.17 177.79 1iqq n LYS 28 N -1.70 4.17 -3.99 8.23 5.02 -1.26 -2.96 118.16 125.67 1iqq n LYS 28 Ca -0.05 -3.43 -0.09 0.00 -2.02 0.00 0.00 58.31 52.72 1iqq n LYS 28 Cb 0.57 -2.75 -0.11 0.00 -0.02 0.00 0.00 35.03 32.71 1iqq n LYS 28 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1iqq s LEU 29 N -1.25 2.26 -0.21 -0.35 1.43 -1.26 -4.85 118.68 114.45 1iqq s LEU 29 Ca 0.49 -0.55 -0.19 0.00 -1.03 0.00 0.00 54.13 52.85 1iqq s LEU 29 Cb 0.15 0.12 -0.03 0.00 0.03 0.00 0.00 46.19 46.46 1iqq s LEU 29 CO -0.05 -0.33 0.57 -0.36 0.23 0.00 0.00 176.35 176.40 1iqq s PHE 30 N -1.73 3.35 0.43 0.29 0.40 -1.26 -1.21 117.98 118.26 1iqq s PHE 30 Ca -0.13 0.81 0.04 0.00 -0.60 0.00 0.00 56.93 57.04 1iqq s PHE 30 Cb -0.08 -2.73 -0.04 0.00 0.51 0.00 0.00 43.02 40.68 1iqq s PHE 30 CO -0.02 -0.17 0.04 0.95 0.70 0.00 0.00 175.22 176.72 1iqq s THR 31 N 1.89 1.25 0.20 0.64 -4.23 -0.61 -4.61 115.64 110.17 1iqq s THR 31 Ca 0.25 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.47 1iqq s THR 31 Cb -0.16 -2.51 -0.08 0.00 1.34 0.00 0.00 72.50 71.09 1iqq s THR 31 CO 0.10 0.00 1.22 -0.69 -0.54 0.00 0.00 174.62 174.71 1iqq s VAL 32 N -2.98 3.42 -0.15 2.29 1.01 0.04 -0.31 120.40 123.73 1iqq s VAL 32 Ca 0.22 1.22 0.09 0.00 0.00 0.00 0.00 61.98 63.50 1iqq s VAL 32 Cb 0.05 -3.78 -0.15 0.00 0.00 0.00 0.00 36.38 32.50 1iqq s VAL 32 CO 0.11 0.21 -0.02 1.57 0.00 0.00 0.00 175.10 176.97 1iqq n HIS 33 N 2.33 0.00 -3.58 5.22 -0.00 0.68 -4.69 115.22 115.17 1iqq n HIS 33 Ca 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.71 1iqq n HIS 33 Cb 0.44 -0.68 -0.02 0.00 -0.00 0.00 0.00 29.99 29.73 1iqq n HIS 33 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1iqq s GLY 34 N -5.01 -0.35 -0.28 1.57 0.00 -0.76 -4.98 107.32 97.51 1iqq s GLY 34 Ca -0.12 1.21 -0.01 0.00 0.00 0.00 0.00 44.72 45.80 1iqq s GLY 34 CO 0.51 0.39 0.07 -2.27 0.00 0.00 0.00 173.10 171.80 1iqq s LEU 35 N -2.42 1.97 -0.27 0.66 0.20 -1.26 -0.71 118.68 116.85 1iqq s LEU 35 Ca 0.09 -1.40 -0.06 0.00 0.69 0.00 0.00 54.13 53.46 1iqq s LEU 35 Cb -0.00 -0.81 0.00 0.00 -0.43 0.00 0.00 46.19 44.95 1iqq s LEU 35 CO -0.05 -0.37 0.03 0.26 -0.29 0.00 0.00 176.35 175.93 1iqq s TRP 36 N 1.67 3.09 0.16 5.38 0.51 0.18 -4.45 118.94 125.49 1iqq s TRP 36 Ca 0.06 -0.98 -0.31 0.00 -2.12 0.00 0.00 56.10 52.75 1iqq s TRP 36 Cb -0.17 -2.20 -0.10 0.00 -0.81 0.00 0.00 33.47 30.19 1iqq s TRP 36 CO -0.20 -0.56 1.55 -2.14 -0.51 0.00 0.00 176.95 175.09 1iqq s PRO 37 N 1.49 4.23 0.13 4.98 0.02 -1.26 -1.65 135.00 142.93 1iqq s PRO 37 Ca 0.03 2.33 0.03 0.00 0.02 0.00 0.00 61.00 63.42 1iqq s PRO 37 Cb -0.16 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 1iqq s PRO 37 CO 0.00 -0.59 -0.07 -1.12 -0.33 0.00 0.00 177.00 174.90 1iqq s SER 38 N 1.12 1.45 -0.04 2.53 0.01 0.11 -4.20 113.70 114.67 1iqq s SER 38 Ca 0.69 -1.03 0.03 0.00 1.31 0.00 0.00 55.95 56.96 1iqq s SER 38 Cb -0.43 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 65.82 1iqq s SER 38 CO 0.31 -0.42 -0.13 0.20 0.41 0.00 0.00 173.24 173.62 1iqq s ASN 39 N -3.12 4.15 0.25 2.44 0.01 -1.26 -0.35 114.94 117.06 1iqq s ASN 39 Ca 0.15 -0.18 0.01 0.00 -0.71 0.00 0.00 52.86 52.13 1iqq s ASN 39 Cb 0.04 -0.89 0.31 0.00 0.41 0.00 0.00 41.25 41.12 1iqq s ASN 39 CO -0.01 0.34 1.65 0.24 -1.51 0.00 0.00 177.10 177.81 1iqq h MET 40 N 5.20 0.49 -5.11 -0.60 2.86 -1.94 -3.42 114.93 112.41 1iqq h MET 40 Ca -0.47 -0.22 -0.66 0.00 -2.06 0.00 0.00 59.70 56.29 1iqq h MET 40 Cb 1.16 -0.01 -0.34 0.00 0.06 0.00 0.00 31.60 32.47 1iqq h MET 40 CO 0.51 0.78 -0.86 0.08 1.06 0.00 0.00 176.91 178.47 1iqq s VAL 41 N -4.33 1.94 0.00 -2.22 1.01 -1.26 -5.00 120.40 110.54 1iqq s VAL 41 Ca -0.07 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1iqq s VAL 41 Cb 0.13 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1iqq s VAL 41 CO 0.81 0.53 0.00 0.61 0.00 0.00 0.00 175.10 177.04 1iqq n GLY 42 N 4.06 -2.16 3.74 4.51 0.00 -1.26 -4.92 105.19 109.16 1iqq n GLY 42 Ca -0.20 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 43.98 1iqq n GLY 42 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1iqq s PRO 43 N -0.26 2.71 0.69 1.61 0.02 -1.26 -4.68 135.00 133.82 1iqq s PRO 43 Ca 0.00 1.94 -0.11 0.00 0.02 0.00 0.00 61.00 62.85 1iqq s PRO 43 Cb 0.00 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.65 1iqq s PRO 43 CO 0.00 -1.45 1.06 -0.51 -0.33 0.00 0.00 177.00 175.78 1iqq s ASP 44 N -1.52 5.38 0.67 2.53 1.01 -1.26 -4.62 116.67 118.86 1iqq s ASP 44 Ca 0.80 1.64 -0.14 0.00 0.71 0.00 0.00 52.55 55.56 1iqq s ASP 44 Cb -0.34 -2.50 0.01 0.00 1.01 0.00 0.00 42.92 41.10 1iqq s ASP 44 CO 0.37 -1.44 1.09 -2.16 0.21 0.00 0.00 175.17 173.24 1iqq s PRO 45 N -4.98 2.80 -0.17 8.23 0.04 -1.26 -4.95 135.00 134.71 1iqq s PRO 45 Ca 0.58 1.25 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 1iqq s PRO 45 Cb -0.14 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.48 1iqq s PRO 45 CO 0.54 -1.23 0.46 0.45 0.04 0.00 0.00 177.00 177.26 1iqq s SER 46 N -2.94 -0.48 -1.13 6.66 0.15 -1.26 -4.91 113.70 109.77 1iqq s SER 46 Ca 0.64 0.93 -0.20 0.00 0.70 0.00 0.00 55.95 58.02 1iqq s SER 46 Cb -0.18 0.93 -0.01 0.00 -1.71 0.00 0.00 66.02 65.05 1iqq s SER 46 CO 0.45 -0.16 0.80 0.29 1.20 0.00 0.00 173.24 175.82 1iqq n LYS 47 N 2.93 -1.33 -2.60 5.44 5.02 -0.65 -4.94 118.16 122.03 1iqq n LYS 47 Ca -0.14 0.49 -0.33 0.00 -2.02 0.00 0.00 58.31 56.31 1iqq n LYS 47 Cb 0.57 -4.25 -0.05 0.00 -0.02 0.00 0.00 35.03 31.28 1iqq n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iqq n PRO 49 N -1.02 2.66 -1.58 0.00 -0.02 -1.26 -4.78 135.00 128.99 1iqq n PRO 49 Ca 0.08 0.95 -0.30 0.00 -2.02 0.00 0.00 63.50 62.21 1iqq n PRO 49 Cb 0.53 -2.77 0.08 0.00 -0.02 0.00 0.00 33.50 31.32 1iqq n PRO 49 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1iqq s ILE 50 N 0.87 3.36 -0.35 4.25 -4.36 -1.26 -4.98 121.20 118.73 1iqq s ILE 50 Ca 0.73 0.44 0.03 0.00 -0.26 0.00 0.00 60.65 61.60 1iqq s ILE 50 Cb -0.53 -3.20 0.01 0.00 1.25 0.00 0.00 42.46 39.98 1iqq s ILE 50 CO 0.37 -0.58 0.48 0.29 0.24 0.00 0.00 174.94 175.74 1iqq n LYS 51 N -3.32 1.16 -3.60 0.37 4.01 -1.26 -5.07 118.16 110.45 1iqq n LYS 51 Ca 0.07 -0.52 -0.05 0.00 -0.51 0.00 0.00 58.31 57.30 1iqq n LYS 51 Cb 0.56 -0.96 -0.02 0.00 -0.51 0.00 0.00 35.03 34.10 1iqq n LYS 51 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1iqq s ASN 52 N -0.54 -0.24 -0.08 4.39 2.20 -1.26 -5.15 114.94 114.26 1iqq s ASN 52 Ca 0.03 -0.12 -0.00 0.00 -0.94 0.00 0.00 52.86 51.83 1iqq s ASN 52 Cb 0.03 0.35 0.02 0.00 -2.00 0.00 0.00 41.25 39.65 1iqq s ASN 52 CO 0.06 -0.59 -0.05 -0.63 -2.94 0.00 0.00 177.10 172.95 1iqq s ILE 53 N -2.97 0.69 0.09 0.54 1.01 -1.26 -4.91 121.20 114.39 1iqq s ILE 53 Ca 0.09 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.64 1iqq s ILE 53 Cb -0.00 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1iqq s ILE 53 CO -0.05 0.29 -0.08 -0.13 0.00 0.00 0.00 174.94 174.97 1iqq s ARG 54 N 1.47 0.80 -0.12 2.79 1.81 -1.26 -5.09 118.95 119.35 1iqq s ARG 54 Ca -0.01 -1.16 -0.04 0.00 -1.72 0.00 0.00 55.73 52.79 1iqq s ARG 54 Cb -0.13 -0.38 -0.04 0.00 -0.45 0.00 0.00 34.95 33.95 1iqq s ARG 54 CO -0.04 0.04 0.04 0.15 -0.68 0.00 0.00 175.30 174.81 1iqq s LYS 55 N -2.99 3.40 0.26 3.54 1.02 -1.26 -4.94 119.74 118.77 1iqq s LYS 55 Ca 0.06 -0.35 -0.25 0.00 0.02 0.00 0.00 55.97 55.44 1iqq s LYS 55 Cb -0.01 -2.99 -0.09 0.00 -0.52 0.00 0.00 37.83 34.22 1iqq s LYS 55 CO -0.02 0.56 0.87 1.03 -0.92 0.00 0.00 175.35 176.87 1iqq s ARG 56 N -0.45 4.57 0.51 1.68 0.52 -1.26 -4.93 118.95 119.58 1iqq s ARG 56 Ca 0.09 1.24 -0.08 0.00 -0.52 0.00 0.00 55.73 56.46 1iqq s ARG 56 Cb -0.12 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.33 1iqq s ARG 56 CO 0.02 0.39 0.85 -1.21 0.02 0.00 0.00 175.30 175.38 1iqq s GLU 57 N -1.73 3.61 0.21 3.54 0.41 -1.26 -4.95 118.70 118.53 1iqq s GLU 57 Ca 0.45 0.41 -0.08 0.00 -0.41 0.00 0.00 54.97 55.33 1iqq s GLU 57 Cb -0.20 -2.29 0.16 0.00 -1.78 0.00 0.00 34.13 30.01 1iqq s GLU 57 CO 0.25 -0.28 1.80 0.87 -0.49 0.00 0.00 175.26 177.42 1iqq h LYS 58 N 0.26 1.15 -0.94 1.61 1.79 -1.99 -2.01 116.57 116.45 1iqq h LYS 58 Ca -0.46 -0.17 0.01 0.00 -2.18 0.00 0.00 60.65 57.85 1iqq h LYS 58 Cb 1.20 -0.21 -0.05 0.00 -1.58 0.00 0.00 32.23 31.60 1iqq h LYS 58 CO 0.62 0.89 0.62 1.25 -1.08 0.00 0.00 179.45 181.75 1iqq h LEU 59 N 1.12 1.08 -0.19 2.94 5.85 -1.99 0.13 115.31 124.25 1iqq h LEU 59 Ca 0.27 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 1iqq h LEU 59 Cb 0.12 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1iqq h LEU 59 CO -0.03 0.78 0.05 0.25 -0.34 0.00 0.00 178.44 179.14 1iqq h LEU 60 N 1.27 0.29 -1.56 2.25 5.85 -1.84 -2.35 115.31 119.22 1iqq h LEU 60 Ca 0.35 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1iqq h LEU 60 Cb -0.14 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1iqq h LEU 60 CO -0.08 0.44 0.16 -0.33 -0.34 0.00 0.00 178.44 178.29 1iqq h GLU 61 N 0.13 0.46 -0.45 1.25 5.08 -0.66 -1.03 114.58 119.36 1iqq h GLU 61 Ca 0.06 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1iqq h GLU 61 Cb 0.26 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1iqq h GLU 61 CO 0.00 0.36 -0.05 1.25 -1.00 0.00 0.00 179.01 179.57 1iqq h HIS 62 N 0.46 0.84 -0.33 4.33 2.76 -0.37 0.45 115.15 123.30 1iqq h HIS 62 Ca 0.12 -0.13 -0.15 0.00 -2.20 0.00 0.00 60.37 58.00 1iqq h HIS 62 Cb 0.05 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 28.78 1iqq h HIS 62 CO 0.00 0.80 -0.39 1.96 -1.30 0.00 0.00 177.93 179.01 1iqq h GLN 63 N 0.72 0.84 0.00 5.26 4.20 -0.88 -2.94 115.11 122.31 1iqq h GLN 63 Ca 0.13 -0.47 -0.06 0.00 0.06 0.00 0.00 58.65 58.32 1iqq h GLN 63 Cb 0.51 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1iqq h GLN 63 CO 0.03 1.11 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.95 1iqq h LEU 64 N 0.62 0.00 -1.90 1.46 3.38 -0.87 -0.30 115.31 117.71 1iqq h LEU 64 Ca 0.04 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1iqq h LEU 64 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1iqq h LEU 64 CO 0.09 0.27 0.14 -0.33 0.09 0.00 0.00 178.44 178.70 1iqq h GLU 65 N 0.00 0.13 0.10 1.13 5.08 -0.72 0.30 114.58 120.59 1iqq h GLU 65 Ca -0.00 -0.01 -0.35 0.00 -1.00 0.00 0.00 59.36 58.00 1iqq h GLU 65 Cb 0.54 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1iqq h GLU 65 CO 0.04 0.08 -1.95 -0.89 -1.00 0.00 0.00 179.01 175.29 1iqq n ILE 66 N -4.50 1.74 -0.05 3.13 5.41 -0.73 -4.02 119.36 120.34 1iqq n ILE 66 Ca 0.01 -0.68 0.01 0.00 1.00 0.00 0.00 62.75 63.08 1iqq n ILE 66 Cb 0.18 -1.58 -0.16 0.00 -0.71 0.00 0.00 39.64 37.37 1iqq n ILE 66 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1iqq n ILE 67 N -3.39 0.68 -2.84 1.39 5.41 -0.20 -4.59 119.36 115.82 1iqq n ILE 67 Ca -0.29 -0.67 -0.12 0.00 1.00 0.00 0.00 62.75 62.66 1iqq n ILE 67 Cb 1.05 -0.23 0.01 0.00 -0.71 0.00 0.00 39.64 39.76 1iqq n ILE 67 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 176.55 178.42 1iqq n TRP 68 N -2.51 0.70 -1.82 1.39 -0.00 0.10 -0.78 117.44 114.53 1iqq n TRP 68 Ca -0.18 -3.10 -0.33 0.00 -0.00 0.00 0.00 57.50 53.89 1iqq n TRP 68 Cb 0.85 -0.32 0.04 0.00 -0.00 0.00 0.00 31.31 31.88 1iqq n TRP 68 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1iqq s PRO 69 N -2.77 2.91 -0.61 5.87 0.04 -1.06 -4.72 135.00 134.66 1iqq s PRO 69 Ca 0.31 1.36 -0.25 0.00 0.04 0.00 0.00 61.00 62.46 1iqq s PRO 69 Cb 0.42 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 33.03 1iqq s PRO 69 CO -0.00 -1.16 1.07 1.21 0.04 0.00 0.00 177.00 178.15 1iqq s ASN 70 N -2.61 6.31 0.59 6.66 3.84 -1.26 -4.90 114.94 123.58 1iqq s ASN 70 Ca 0.66 -0.34 0.37 0.00 0.21 0.00 0.00 52.86 53.77 1iqq s ASN 70 Cb -0.20 -2.49 1.75 0.00 -0.55 0.00 0.00 41.25 39.77 1iqq s ASN 70 CO 0.40 -1.43 2.13 -0.37 -2.79 0.00 0.00 177.10 175.05 1iqq h VAL 71 N 6.05 0.08 0.07 -5.21 -1.51 -1.97 -2.96 116.25 110.80 1iqq h VAL 71 Ca -0.27 -0.35 -0.25 0.00 -1.23 0.00 0.00 66.70 64.61 1iqq h VAL 71 Cb 1.06 1.32 -0.01 0.00 -2.13 0.00 0.00 31.29 31.53 1iqq h VAL 71 CO 1.16 0.02 -1.13 -0.26 -1.23 0.00 0.00 177.57 176.13 1iqq h PHE 72 N 0.00 0.33 -0.63 5.19 0.04 -1.90 -3.39 116.94 116.58 1iqq h PHE 72 Ca -0.00 -0.23 0.14 0.00 2.80 0.00 0.00 57.97 60.67 1iqq h PHE 72 Cb 0.32 -0.02 -0.20 0.00 2.20 0.00 0.00 35.95 38.25 1iqq h PHE 72 CO 0.00 1.16 -0.16 0.34 -0.60 0.00 0.00 178.31 179.05 1iqq s ASP 73 N -7.00 -0.99 0.64 2.17 -1.08 -1.12 -0.36 116.67 108.93 1iqq s ASP 73 Ca -0.02 0.23 0.41 0.00 -0.52 0.00 0.00 52.55 52.65 1iqq s ASP 73 Cb 0.08 1.67 2.18 0.00 -1.46 0.00 0.00 42.92 45.40 1iqq s ASP 73 CO 0.86 -0.18 2.29 0.08 0.52 0.00 0.00 175.17 178.74 1iqq h ARG 74 N 7.72 0.00 0.00 4.34 0.11 -1.86 -0.91 114.38 123.78 1iqq h ARG 74 Ca -0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 1iqq h ARG 74 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1iqq h ARG 74 CO 0.04 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.36 1iqq n THR 75 N -3.14 0.91 -0.27 0.08 -2.24 -1.26 -2.28 114.28 106.08 1iqq n THR 75 Ca -0.02 0.27 0.11 0.00 -2.27 0.00 0.00 64.05 62.15 1iqq n THR 75 Cb 0.12 -1.17 0.30 0.00 -2.10 0.00 0.00 70.33 67.48 1iqq n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1iqq n LYS 76 N -2.05 2.70 -0.21 -0.78 5.02 -0.35 -4.64 118.16 117.86 1iqq n LYS 76 Ca 0.02 -2.58 0.01 0.00 -2.02 0.00 0.00 58.31 53.74 1iqq n LYS 76 Cb 0.20 -1.55 0.12 0.00 -0.02 0.00 0.00 35.03 33.79 1iqq n LYS 76 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1iqq h ASN 77 N 4.19 0.10 -0.44 4.39 2.35 -1.57 -1.78 115.58 122.82 1iqq h ASN 77 Ca 0.00 0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 1iqq h ASN 77 Cb 0.98 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.45 1iqq h ASN 77 CO 0.00 0.05 0.09 0.78 -1.65 0.00 0.00 177.43 176.70 1iqq h ASN 78 N 0.33 0.69 0.05 5.81 2.35 -1.85 0.11 115.58 123.07 1iqq h ASN 78 Ca 0.33 -0.25 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 1iqq h ASN 78 Cb 0.48 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1iqq h ASN 78 CO -0.38 0.76 -0.38 0.25 -1.65 0.00 0.00 177.43 176.02 1iqq h LEU 79 N 0.59 0.47 -0.13 1.61 5.85 -1.90 -0.99 115.31 120.80 1iqq h LEU 79 Ca 0.14 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1iqq h LEU 79 Cb 0.35 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1iqq h LEU 79 CO 0.01 0.81 0.06 0.15 -0.34 0.00 0.00 178.44 179.13 1iqq h PHE 80 N 0.37 0.19 -0.55 1.25 3.57 -0.89 -2.03 116.94 118.85 1iqq h PHE 80 Ca 0.04 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 1iqq h PHE 80 Cb 0.84 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 1iqq h PHE 80 CO 0.03 0.23 -0.02 -1.49 -2.23 0.00 0.00 178.31 174.82 1iqq h TRP 81 N 0.09 1.04 -0.82 0.41 6.55 -0.59 -2.37 115.95 120.27 1iqq h TRP 81 Ca 0.05 -0.17 0.09 0.00 0.95 0.00 0.00 58.89 59.80 1iqq h TRP 81 Cb 0.11 -0.27 -0.07 0.00 -0.86 0.00 0.00 29.16 28.06 1iqq h TRP 81 CO -0.03 0.94 0.47 -0.44 -1.05 0.00 0.00 178.44 178.33 1iqq h ASP 82 N 0.88 0.68 -0.14 -3.49 3.32 -0.94 -1.12 116.42 115.60 1iqq h ASP 82 Ca 0.16 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 1iqq h ASP 82 Cb 0.54 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1iqq h ASP 82 CO 0.03 0.39 -0.30 0.11 -1.72 0.00 0.00 179.24 177.75 1iqq h LYS 83 N 0.80 0.62 -0.71 3.56 1.57 -1.07 0.12 116.57 121.46 1iqq h LYS 83 Ca 0.39 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1iqq h LYS 83 Cb 0.34 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1iqq h LYS 83 CO -0.24 0.85 0.29 0.93 -0.57 0.00 0.00 179.45 180.71 1iqq h GLU 84 N 0.53 1.07 0.15 3.15 4.39 -0.85 0.94 114.58 123.96 1iqq h GLU 84 Ca 0.06 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1iqq h GLU 84 Cb 0.78 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1iqq h GLU 84 CO 0.06 0.88 -0.07 2.35 -1.16 0.00 0.00 179.01 181.07 1iqq h TRP 85 N 1.02 -0.19 -0.80 4.33 2.91 -1.06 -1.03 115.95 121.15 1iqq h TRP 85 Ca 0.24 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.23 1iqq h TRP 85 Cb 0.21 0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 28.89 1iqq h TRP 85 CO 0.02 0.10 0.40 0.52 -1.03 0.00 0.00 178.44 178.45 1iqq h MET 86 N -0.47 1.13 0.17 2.65 2.86 -0.82 -0.33 114.93 120.12 1iqq h MET 86 Ca -0.02 -0.15 -0.32 0.00 -2.06 0.00 0.00 59.70 57.15 1iqq h MET 86 Cb 0.37 -0.21 0.03 0.00 0.06 0.00 0.00 31.60 31.85 1iqq h MET 86 CO 0.03 0.86 -1.34 -0.22 1.06 0.00 0.00 176.91 177.30 1iqq h LYS 87 N 1.12 0.60 0.00 1.72 3.64 -0.88 -3.30 116.57 119.47 1iqq h LYS 87 Ca 0.28 -0.87 -0.10 0.00 -1.27 0.00 0.00 60.65 58.68 1iqq h LYS 87 Cb 0.09 0.30 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1iqq h LYS 87 CO -0.04 1.41 -1.15 0.72 -2.27 0.00 0.00 179.45 178.12 1iqq n HIS 88 N -3.76 0.00 -0.36 1.91 8.25 -0.44 -1.64 115.22 119.18 1iqq n HIS 88 Ca -0.15 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.40 1iqq n HIS 88 Cb 1.04 -0.26 0.27 0.00 1.12 0.00 0.00 29.99 32.15 1iqq n HIS 88 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1iqq h GLY 89 N -0.30 1.70 1.95 -1.41 0.00 -1.04 -0.88 103.07 103.09 1iqq h GLY 89 Ca -0.16 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1iqq h GLY 89 CO -0.09 0.08 0.02 1.48 0.00 0.00 0.00 176.54 178.03 1iqq h SER 90 N 0.91 0.00 -0.26 0.19 4.64 -1.30 -1.63 113.55 116.10 1iqq h SER 90 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 1iqq h SER 90 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1iqq h SER 90 CO -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.65 1iqq n GLY 92 N 1.28 3.47 3.77 0.00 0.00 -0.62 -4.57 105.19 108.53 1iqq n GLY 92 Ca 0.17 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 1iqq n GLY 92 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1iqq s TYR 93 N -2.71 3.01 -1.94 1.61 5.04 -1.22 -0.43 117.35 120.72 1iqq s TYR 93 Ca 0.48 1.56 0.25 0.00 -2.44 0.00 0.00 57.07 56.92 1iqq s TYR 93 Cb 0.37 -3.35 0.51 0.00 0.35 0.00 0.00 41.96 39.85 1iqq s TYR 93 CO 0.13 -1.30 1.42 -0.35 -1.34 0.00 0.00 175.55 174.11 1iqq n PRO 94 N -0.20 1.07 -0.27 4.97 -0.04 -1.26 -4.80 135.00 134.46 1iqq n PRO 94 Ca 0.06 -0.74 0.05 0.00 -0.04 0.00 0.00 63.50 62.83 1iqq n PRO 94 Cb 0.48 -1.48 0.19 0.00 -0.04 0.00 0.00 33.50 32.64 1iqq n PRO 94 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1iqq h THR 95 N 1.80 0.70 -3.67 0.52 2.02 -1.80 -3.26 112.91 109.22 1iqq h THR 95 Ca 0.00 -0.18 -0.68 0.00 0.77 0.00 0.00 66.41 66.32 1iqq h THR 95 Cb 0.60 0.14 -0.19 0.00 -1.74 0.00 0.00 68.15 66.96 1iqq h THR 95 CO 0.00 0.09 -0.47 -0.63 0.37 0.00 0.00 175.52 174.88 1iqq s ILE 96 N -6.01 5.25 0.04 3.11 -1.09 0.43 -4.99 121.20 117.94 1iqq s ILE 96 Ca -0.12 -0.31 -0.08 0.00 -2.23 0.00 0.00 60.65 57.91 1iqq s ILE 96 Cb 0.21 -3.73 -0.31 0.00 -1.58 0.00 0.00 42.46 37.04 1iqq s ILE 96 CO 0.77 -0.06 1.02 -0.78 -1.23 0.00 0.00 174.94 174.66 1iqq h ASP 97 N 8.51 0.57 -5.27 3.58 3.58 -1.87 -3.22 116.42 122.30 1iqq h ASP 97 Ca -0.31 -0.64 0.12 0.00 0.42 0.00 0.00 57.03 56.63 1iqq h ASP 97 Cb 1.15 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.97 1iqq h ASP 97 CO 0.65 1.51 0.46 0.54 -2.88 0.00 0.00 179.24 179.52 1iqq s ASN 98 N -7.27 -0.08 0.17 2.28 2.20 -1.26 -4.88 114.94 106.10 1iqq s ASN 98 Ca -0.07 -0.68 -0.14 0.00 -0.94 0.00 0.00 52.86 51.03 1iqq s ASN 98 Cb 0.06 0.59 0.12 0.00 -2.00 0.00 0.00 41.25 40.01 1iqq s ASN 98 CO 0.90 -1.14 1.77 -0.08 -2.94 0.00 0.00 177.10 175.61 1iqq h GLU 99 N 2.00 0.40 -0.59 3.55 4.81 -1.93 0.67 114.58 123.49 1iqq h GLU 99 Ca -0.27 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 1iqq h GLU 99 Cb 1.23 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1iqq h GLU 99 CO 0.32 0.27 0.18 -0.91 -0.73 0.00 0.00 179.01 178.13 1iqq h ASN 100 N 0.41 0.87 -0.36 1.04 2.35 -1.92 -2.80 115.58 115.18 1iqq h ASN 100 Ca 0.21 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1iqq h ASN 100 Cb 0.15 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1iqq h ASN 100 CO -0.17 0.85 0.10 -0.74 -1.65 0.00 0.00 177.43 175.83 1iqq h HIS 101 N 0.84 0.65 -0.07 1.19 2.76 -1.81 0.17 115.15 118.88 1iqq h HIS 101 Ca 0.19 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1iqq h HIS 101 Cb 0.30 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1iqq h HIS 101 CO 0.02 0.56 0.03 -0.92 -1.30 0.00 0.00 177.93 176.33 1iqq h TYR 102 N 0.63 0.06 -0.18 5.26 3.20 -0.65 0.18 116.97 125.47 1iqq h TYR 102 Ca 0.14 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.84 1iqq h TYR 102 Cb 0.24 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 1iqq h TYR 102 CO 0.01 0.04 -0.61 0.74 -1.64 0.00 0.00 178.16 176.70 1iqq h PHE 103 N 0.08 0.77 -0.35 -3.82 0.04 -1.21 -1.91 116.94 110.54 1iqq h PHE 103 Ca 0.03 -0.29 -0.05 0.00 2.80 0.00 0.00 57.97 60.46 1iqq h PHE 103 Cb 0.01 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 1iqq h PHE 103 CO -0.09 1.06 0.02 0.93 -0.60 0.00 0.00 178.31 179.63 1iqq h GLU 104 N 0.45 0.54 -0.46 1.51 5.08 -0.51 -1.84 114.58 119.34 1iqq h GLU 104 Ca -0.00 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1iqq h GLU 104 Cb 1.17 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1iqq h GLU 104 CO 0.12 0.55 0.07 1.15 -1.00 0.00 0.00 179.01 179.90 1iqq h THR 105 N 0.52 1.25 -0.76 1.13 2.02 -0.32 -0.46 112.91 116.28 1iqq h THR 105 Ca 0.11 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 1iqq h THR 105 Cb 0.30 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1iqq h THR 105 CO 0.01 0.32 0.48 0.58 0.37 0.00 0.00 175.52 177.27 1iqq h VAL 106 N 0.64 1.21 -0.68 3.16 2.07 -1.03 -0.73 116.25 120.89 1iqq h VAL 106 Ca 0.14 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1iqq h VAL 106 Cb 0.39 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1iqq h VAL 106 CO 0.01 0.21 0.15 0.40 0.02 0.00 0.00 177.57 178.36 1iqq h ILE 107 N 1.04 1.26 -0.77 4.57 2.04 -1.14 -0.74 117.51 123.77 1iqq h ILE 107 Ca 0.28 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1iqq h ILE 107 Cb -0.07 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1iqq h ILE 107 CO -0.05 0.37 0.40 0.50 0.00 0.00 0.00 178.15 179.36 1iqq h LYS 108 N 1.03 1.09 -0.06 2.37 3.64 -0.72 0.18 116.57 124.10 1iqq h LYS 108 Ca 0.21 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1iqq h LYS 108 Cb 0.38 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1iqq h LYS 108 CO 0.00 0.82 -0.02 0.52 -2.27 0.00 0.00 179.45 178.51 1iqq h MET 109 N 1.07 0.12 -0.40 1.90 2.86 -0.68 0.06 114.93 119.86 1iqq h MET 109 Ca 0.27 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.79 1iqq h MET 109 Cb 0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1iqq h MET 109 CO -0.04 0.46 -0.01 -0.92 1.06 0.00 0.00 176.91 177.46 1iqq h TYR 110 N -0.22 0.78 0.00 -0.22 3.20 -0.88 -1.82 116.97 117.81 1iqq h TYR 110 Ca 0.02 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1iqq h TYR 110 Cb 0.41 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1iqq h TYR 110 CO 0.05 0.79 0.00 -0.89 -1.64 0.00 0.00 178.16 176.48 1iqq n ILE 111 N -4.43 0.00 -0.25 1.81 2.08 0.61 -2.56 119.36 116.62 1iqq n ILE 111 Ca -0.01 0.48 0.01 0.00 0.56 0.00 0.00 62.75 63.79 1iqq n ILE 111 Cb 0.29 -1.47 0.13 0.00 -0.75 0.00 0.00 39.64 37.84 1iqq n ILE 111 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1iqq h SER 112 N 0.00 0.52 -0.30 4.38 0.87 -1.54 -0.11 113.55 117.36 1iqq h SER 112 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1iqq h SER 112 Cb 0.00 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1iqq h SER 112 CO 0.00 0.30 0.00 0.29 -0.53 0.00 0.00 176.83 176.89 1iqq n LYS 113 N -4.83 1.82 -3.11 2.24 5.02 -0.03 -4.94 118.16 114.33 1iqq n LYS 113 Ca 0.11 -1.26 -0.23 0.00 -2.02 0.00 0.00 58.31 54.91 1iqq n LYS 113 Cb 0.25 -1.33 0.03 0.00 -0.02 0.00 0.00 35.03 33.96 1iqq n LYS 113 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1iqq n LYS 114 N 0.50 -4.70 -0.14 1.97 4.76 -0.06 -4.89 118.16 115.60 1iqq n LYS 114 Ca 0.14 0.82 0.09 0.00 -2.87 0.00 0.00 58.31 56.48 1iqq n LYS 114 Cb 0.32 -5.66 0.27 0.00 -1.84 0.00 0.00 35.03 28.12 1iqq n LYS 114 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1iqq n GLN 115 N -4.01 1.84 -1.58 1.97 6.02 -0.69 -4.74 117.38 116.20 1iqq n GLN 115 Ca -0.09 -1.29 -0.45 0.00 -0.01 0.00 0.00 57.00 55.17 1iqq n GLN 115 Cb 0.60 -1.36 -0.04 0.00 1.02 0.00 0.00 30.24 30.47 1iqq n GLN 115 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1iqq n ASN 116 N 0.52 3.11 0.18 1.08 2.85 -1.06 -4.82 115.26 117.13 1iqq n ASN 116 Ca 0.15 0.29 0.05 0.00 -0.11 0.00 0.00 54.58 54.95 1iqq n ASN 116 Cb 0.34 -1.50 0.48 0.00 1.24 0.00 0.00 39.78 40.34 1iqq n ASN 116 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1iqq h VAL 117 N 7.03 1.13 -0.78 3.44 2.07 -1.89 -0.74 116.25 126.51 1iqq h VAL 117 Ca -0.39 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1iqq h VAL 117 Cb 1.26 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 1iqq h VAL 117 CO 0.97 0.17 0.49 0.28 0.02 0.00 0.00 177.57 179.50 1iqq h SER 118 N 0.10 0.91 -0.20 0.57 0.02 -1.88 -1.55 113.55 111.52 1iqq h SER 118 Ca 0.02 -0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.79 1iqq h SER 118 Cb 0.28 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1iqq h SER 118 CO 0.02 0.68 -0.44 -0.09 -1.14 0.00 0.00 176.83 175.86 1iqq h ARG 119 N 1.06 0.65 -0.53 3.45 2.43 -1.54 -0.73 114.38 119.16 1iqq h ARG 119 Ca 0.28 -0.43 0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1iqq h ARG 119 Cb -0.08 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1iqq h ARG 119 CO -0.06 1.05 0.33 0.82 -1.51 0.00 0.00 179.97 180.60 1iqq h ILE 120 N 0.33 1.08 -0.46 1.20 2.04 -1.15 -0.37 117.51 120.18 1iqq h ILE 120 Ca 0.00 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 1iqq h ILE 120 Cb 1.04 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1iqq h ILE 120 CO 0.10 0.12 0.07 -0.07 0.00 0.00 0.00 178.15 178.37 1iqq h LEU 121 N 0.66 0.74 -1.20 1.44 3.38 -1.27 -2.85 115.31 116.20 1iqq h LEU 121 Ca 0.21 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1iqq h LEU 121 Cb -0.00 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1iqq h LEU 121 CO -0.08 0.81 0.43 -1.28 0.09 0.00 0.00 178.44 178.41 1iqq h SER 122 N 0.63 0.86 0.21 -0.43 0.87 -0.69 -0.51 113.55 114.49 1iqq h SER 122 Ca 0.14 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1iqq h SER 122 Cb 0.39 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1iqq h SER 122 CO 0.01 0.67 -0.11 0.11 -0.53 0.00 0.00 176.83 176.98 1iqq h LYS 123 N 1.00 0.00 -0.67 2.24 1.57 -0.84 -0.61 116.57 119.25 1iqq h LYS 123 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1iqq h LYS 123 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1iqq h LYS 123 CO -0.05 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 178.94 1iqq n ALA 124 N -2.37 3.14 -1.71 3.86 0.00 -0.38 -4.91 120.51 118.13 1iqq n ALA 124 Ca -0.02 -1.11 -0.10 0.00 0.00 0.00 0.00 53.44 52.21 1iqq n ALA 124 Cb 0.20 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 1iqq n ALA 124 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1iqq n LYS 125 N 0.52 -0.74 -3.91 0.00 5.02 -0.24 -5.00 118.16 113.81 1iqq n LYS 125 Ca 0.17 0.68 -0.34 0.00 -2.02 0.00 0.00 58.31 56.80 1iqq n LYS 125 Cb 0.73 -4.67 -0.14 0.00 -0.02 0.00 0.00 35.03 30.94 1iqq n LYS 125 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1iqq s ILE 126 N -2.43 2.86 0.28 -0.18 1.01 -0.34 -4.99 121.20 117.41 1iqq s ILE 126 Ca 0.00 -1.70 0.08 0.00 0.00 0.00 0.00 60.65 59.03 1iqq s ILE 126 Cb 0.00 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1iqq s ILE 126 CO 0.00 -0.30 0.19 -1.61 0.00 0.00 0.00 174.94 173.22 1iqq s GLU 127 N 1.16 2.75 -1.42 2.79 0.41 -1.26 -2.73 118.70 120.40 1iqq s GLU 127 Ca -0.00 -1.19 -0.13 0.00 -0.41 0.00 0.00 54.97 53.23 1iqq s GLU 127 Cb -0.20 -2.46 -0.03 0.00 -1.78 0.00 0.00 34.13 29.66 1iqq s GLU 127 CO -0.03 0.31 2.45 -0.35 -0.49 0.00 0.00 175.26 177.14 1iqq n PRO 128 N -1.18 2.97 0.00 0.39 -0.04 -1.26 -4.55 135.00 131.32 1iqq n PRO 128 Ca -0.06 -2.31 0.13 0.00 -0.04 0.00 0.00 63.50 61.22 1iqq n PRO 128 Cb 0.59 -3.03 0.29 0.00 -0.04 0.00 0.00 33.50 31.31 1iqq n PRO 128 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1iqq n ASP 129 N 5.23 1.81 -0.86 3.54 8.00 -1.25 -4.96 116.55 128.06 1iqq n ASP 129 Ca 0.61 -1.45 -0.07 0.00 0.71 0.00 0.00 54.79 54.58 1iqq n ASP 129 Cb 0.32 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1iqq n ASP 129 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iqq n GLY 130 N 1.30 0.15 3.91 0.44 0.00 -1.08 -5.04 105.19 104.88 1iqq n GLY 130 Ca 0.14 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 1iqq n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqq s LYS 131 N -4.48 3.59 -0.00 1.61 1.02 -0.72 -4.70 119.74 116.06 1iqq s LYS 131 Ca 0.03 -0.06 -0.25 0.00 0.02 0.00 0.00 55.97 55.70 1iqq s LYS 131 Cb -0.01 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 1iqq s LYS 131 CO 0.03 0.18 0.78 0.15 -0.92 0.00 0.00 175.35 175.57 1iqq s LYS 132 N -3.77 4.49 0.15 1.68 1.02 -1.26 -1.40 119.74 120.65 1iqq s LYS 132 Ca 0.43 1.06 0.07 0.00 0.02 0.00 0.00 55.97 57.55 1iqq s LYS 132 Cb -0.10 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 1iqq s LYS 132 CO 0.32 0.15 -0.14 1.03 -0.92 0.00 0.00 175.35 175.79 1iqq s ARG 133 N 0.42 1.14 0.23 1.68 0.52 0.12 -4.84 118.95 118.22 1iqq s ARG 133 Ca 0.40 -1.38 -0.30 0.00 -0.52 0.00 0.00 55.73 53.94 1iqq s ARG 133 Cb -0.20 -0.98 -0.09 0.00 0.52 0.00 0.00 34.95 34.20 1iqq s ARG 133 CO 0.22 0.18 1.00 0.00 0.02 0.00 0.00 175.30 176.72 1iqq s ALA 134 N -2.49 3.35 0.26 2.13 0.00 -1.26 -1.00 121.76 122.74 1iqq s ALA 134 Ca 0.14 0.71 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 1iqq s ALA 134 Cb -0.03 -3.27 0.45 0.00 0.00 0.00 0.00 23.12 20.27 1iqq s ALA 134 CO 0.04 0.03 1.82 1.25 0.00 0.00 0.00 175.76 178.91 1iqq h LEU 135 N 4.35 0.77 -1.47 0.00 5.85 -1.38 -1.66 115.31 121.78 1iqq h LEU 135 Ca -0.45 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 1iqq h LEU 135 Cb 1.21 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1iqq h LEU 135 CO 0.69 0.43 -0.13 0.25 -0.34 0.00 0.00 178.44 179.34 1iqq h LEU 136 N 0.88 0.17 -0.52 2.25 5.85 -1.93 -0.97 115.31 121.04 1iqq h LEU 136 Ca 0.43 -0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.97 1iqq h LEU 136 Cb 0.40 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1iqq h LEU 136 CO -0.25 0.32 -0.42 0.44 -0.34 0.00 0.00 178.44 178.19 1iqq h ASP 137 N 0.17 0.79 -0.05 1.25 3.32 -1.69 0.17 116.42 120.37 1iqq h ASP 137 Ca 0.04 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1iqq h ASP 137 Cb 0.35 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1iqq h ASP 137 CO 0.02 1.10 -0.00 0.40 -1.72 0.00 0.00 179.24 179.04 1iqq h ILE 138 N 0.59 1.26 -0.63 0.35 2.04 -1.23 -2.10 117.51 117.78 1iqq h ILE 138 Ca 0.04 -0.78 0.05 0.00 1.00 0.00 0.00 64.86 65.17 1iqq h ILE 138 Cb 0.97 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 38.68 1iqq h ILE 138 CO 0.09 0.21 0.35 -0.33 0.00 0.00 0.00 178.15 178.47 1iqq h GLU 139 N -0.20 0.63 -0.75 2.37 5.08 -1.13 -2.06 114.58 118.52 1iqq h GLU 139 Ca 0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1iqq h GLU 139 Cb 0.34 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1iqq h GLU 139 CO 0.00 0.42 0.38 -0.91 -1.00 0.00 0.00 179.01 177.90 1iqq h ASN 140 N 0.65 0.96 -0.34 1.42 2.35 -0.61 -0.23 115.58 119.79 1iqq h ASN 140 Ca 0.28 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1iqq h ASN 140 Cb 0.17 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1iqq h ASN 140 CO -0.17 0.81 0.19 0.00 -1.65 0.00 0.00 177.43 176.60 1iqq h ALA 141 N 1.19 0.43 -0.39 -0.83 0.00 -1.03 -1.27 119.26 117.36 1iqq h ALA 141 Ca 0.26 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1iqq h ALA 141 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1iqq h ALA 141 CO -0.04 -0.04 -0.02 0.82 0.00 0.00 0.00 179.25 179.97 1iqq h ILE 142 N 0.43 1.26 -0.22 0.00 1.08 -0.99 -2.86 117.51 116.21 1iqq h ILE 142 Ca 0.12 -1.05 -0.01 0.00 -0.39 0.00 0.00 64.86 63.53 1iqq h ILE 142 Cb 0.06 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 1iqq h ILE 142 CO -0.02 0.35 0.09 0.03 -0.69 0.00 0.00 178.15 177.91 1iqq h ARG 143 N 0.52 0.30 0.00 2.37 3.08 -0.83 0.07 114.38 119.88 1iqq h ARG 143 Ca 0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1iqq h ARG 143 Cb 0.51 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1iqq h ARG 143 CO 0.02 0.25 0.00 -0.97 -1.07 0.00 0.00 179.97 178.20 1iqq h ASN 144 N 0.30 0.00 -0.29 7.04 -1.24 -1.01 -1.45 115.58 118.93 1iqq h ASN 144 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 1iqq h ASN 144 Cb 0.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.11 1iqq h ASN 144 CO -0.01 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.74 1iqq n GLY 145 N 0.05 2.42 2.72 1.57 0.00 -0.07 -4.71 105.19 107.17 1iqq n GLY 145 Ca 0.02 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.63 1iqq n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqq n ALA 146 N 0.47 3.06 -2.94 4.61 0.00 -0.73 -4.99 120.51 119.98 1iqq n ALA 146 Ca 0.10 -2.91 -0.22 0.00 0.00 0.00 0.00 53.44 50.42 1iqq n ALA 146 Cb 0.40 -0.92 0.02 0.00 0.00 0.00 0.00 19.45 18.95 1iqq n ALA 146 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1iqq n ASP 147 N -0.29 -5.82 0.00 0.00 2.03 -1.20 -1.20 116.55 110.07 1iqq n ASP 147 Ca 0.07 -0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1iqq n ASP 147 Cb 0.82 -4.73 0.00 0.00 -0.72 0.00 0.00 41.12 36.48 1iqq n ASP 147 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1iqq n ASN 148 N -2.40 -0.58 -4.80 1.67 2.85 -0.61 -4.98 115.26 106.41 1iqq n ASN 148 Ca -0.13 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 53.99 1iqq n ASN 148 Cb 0.62 -1.23 -0.06 0.00 1.24 0.00 0.00 39.78 40.35 1iqq n ASN 148 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1iqq s LYS 149 N -0.51 4.39 -0.12 1.20 -0.14 -0.34 -4.92 119.74 119.29 1iqq s LYS 149 Ca 0.00 1.14 -0.26 0.00 -1.36 0.00 0.00 55.97 55.49 1iqq s LYS 149 Cb 0.00 -2.63 -0.02 0.00 -1.68 0.00 0.00 37.83 33.50 1iqq s LYS 149 CO 0.00 0.21 0.85 0.15 -0.76 0.00 0.00 175.35 175.80 1iqq s LYS 150 N -2.39 4.37 0.64 1.68 1.02 -1.26 -4.41 119.74 119.39 1iqq s LYS 150 Ca 0.52 1.09 -0.07 0.00 0.02 0.00 0.00 55.97 57.53 1iqq s LYS 150 Cb -0.15 -3.53 0.02 0.00 -0.52 0.00 0.00 37.83 33.65 1iqq s LYS 150 CO 0.20 -0.21 0.97 -1.25 -0.92 0.00 0.00 175.35 174.14 1iqq s PRO 151 N 1.72 2.73 -0.19 -1.68 0.04 -1.26 -0.99 135.00 135.37 1iqq s PRO 151 Ca 0.41 0.03 -0.06 0.00 0.04 0.00 0.00 61.00 61.42 1iqq s PRO 151 Cb -0.18 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 1iqq s PRO 151 CO 0.16 -0.90 0.03 0.21 0.04 0.00 0.00 177.00 176.54 1iqq s LYS 152 N -5.13 3.80 0.08 4.56 2.20 -0.79 -4.79 119.74 119.66 1iqq s LYS 152 Ca 0.56 -0.44 0.06 0.00 -0.36 0.00 0.00 55.97 55.80 1iqq s LYS 152 Cb -0.11 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.04 1iqq s LYS 152 CO 0.46 0.16 -0.10 -0.51 -0.36 0.00 0.00 175.35 175.01 1iqq s LEU 153 N 0.64 3.04 -0.05 5.43 1.02 -1.26 -0.46 118.68 127.05 1iqq s LEU 153 Ca 0.01 -0.33 0.04 0.00 0.02 0.00 0.00 54.13 53.87 1iqq s LEU 153 Cb -0.14 -1.82 0.00 0.00 0.02 0.00 0.00 46.19 44.26 1iqq s LEU 153 CO 0.02 0.21 -0.16 -0.75 0.02 0.00 0.00 176.35 175.68 1iqq s LYS 154 N -1.97 1.79 0.37 1.70 2.20 -0.17 -4.59 119.74 119.07 1iqq s LYS 154 Ca 0.20 -0.57 0.04 0.00 -0.36 0.00 0.00 55.97 55.28 1iqq s LYS 154 Cb -0.11 -1.53 -0.05 0.00 -1.51 0.00 0.00 37.83 34.63 1iqq s LYS 154 CO 0.12 0.19 0.06 0.00 -0.36 0.00 0.00 175.35 175.36 1iqq s GLN 156 N -3.83 0.43 -0.14 0.00 -2.07 -0.09 -4.26 119.66 109.70 1iqq s GLN 156 Ca 0.31 -0.39 -0.05 0.00 -1.82 0.00 0.00 55.36 53.40 1iqq s GLN 156 Cb 0.07 0.18 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 1iqq s GLN 156 CO 0.14 -0.10 0.05 0.21 -1.32 0.00 0.00 175.29 174.27 1iqq s LYS 157 N -1.29 3.56 -0.29 9.60 2.20 -1.26 -0.65 119.74 131.62 1iqq s LYS 157 Ca -0.14 -0.35 -0.01 0.00 -0.36 0.00 0.00 55.97 55.12 1iqq s LYS 157 Cb -0.07 -3.05 0.09 0.00 -1.51 0.00 0.00 37.83 33.28 1iqq s LYS 157 CO 0.01 0.48 0.07 0.15 -0.36 0.00 0.00 175.35 175.70 1iqq s LYS 158 N -0.23 0.84 7.57 4.03 -0.14 0.14 -4.99 119.74 126.96 1iqq s LYS 158 Ca 0.07 -1.02 0.00 0.00 -1.36 0.00 0.00 55.97 53.66 1iqq s LYS 158 Cb -0.12 -2.15 0.00 0.00 -1.68 0.00 0.00 37.83 33.88 1iqq s LYS 158 CO 0.02 -0.90 0.00 0.41 -0.76 0.00 0.00 175.35 174.12 1iqq n GLY 159 N 4.82 3.02 0.73 -3.33 0.00 -1.26 -0.73 105.19 108.44 1iqq n GLY 159 Ca -0.04 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.86 1iqq n GLY 159 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iqq n THR 160 N 0.00 0.40 -4.11 2.61 -2.24 -1.26 -4.87 114.28 104.81 1iqq n THR 160 Ca 0.00 -0.49 -0.35 0.00 -2.27 0.00 0.00 64.05 60.94 1iqq n THR 160 Cb 0.00 0.41 -0.13 0.00 -2.10 0.00 0.00 70.33 68.51 1iqq n THR 160 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1iqq s THR 161 N -1.60 3.84 -0.23 4.28 -1.32 0.09 -5.09 115.64 115.62 1iqq s THR 161 Ca 0.31 -0.35 -0.10 0.00 -1.21 0.00 0.00 61.69 60.34 1iqq s THR 161 Cb 0.17 -2.73 -0.05 0.00 -1.51 0.00 0.00 72.50 68.38 1iqq s THR 161 CO 0.24 0.44 0.14 -0.89 -2.21 0.00 0.00 174.62 172.33 1iqq s THR 162 N 0.98 5.21 0.13 5.08 2.01 -1.26 0.28 115.64 128.06 1iqq s THR 162 Ca 0.01 0.13 0.11 0.00 0.31 0.00 0.00 61.69 62.24 1iqq s THR 162 Cb -0.14 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1iqq s THR 162 CO 0.01 0.37 -0.27 -1.83 -0.69 0.00 0.00 174.62 172.22 1iqq s GLU 163 N 0.92 1.39 0.24 4.92 -1.05 0.18 -0.46 118.70 124.83 1iqq s GLU 163 Ca 0.07 -1.33 -0.30 0.00 -0.15 0.00 0.00 54.97 53.26 1iqq s GLU 163 Cb -0.13 -1.87 -0.09 0.00 -0.44 0.00 0.00 34.13 31.60 1iqq s GLU 163 CO 0.03 0.44 1.28 -1.17 0.95 0.00 0.00 175.26 176.79 1iqq s LEU 164 N -2.03 4.44 0.00 1.83 2.96 -0.79 -0.91 118.68 124.18 1iqq s LEU 164 Ca 0.13 2.44 0.00 0.00 -0.22 0.00 0.00 54.13 56.48 1iqq s LEU 164 Cb -0.10 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1iqq s LEU 164 CO 0.06 -0.47 0.00 0.52 -1.32 0.00 0.00 176.35 175.14 1iqq n VAL 165 N 2.03 0.00 -4.04 1.68 0.31 0.06 -4.76 118.33 113.61 1iqq n VAL 165 Ca 0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.24 1iqq n VAL 165 Cb 0.43 -0.71 -0.12 0.00 -0.91 0.00 0.00 33.84 32.53 1iqq n VAL 165 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1iqq s GLU 166 N -1.82 0.43 -0.06 5.55 2.02 -0.75 -0.68 118.70 123.40 1iqq s GLU 166 Ca 0.00 -0.61 0.01 0.00 0.02 0.00 0.00 54.97 54.39 1iqq s GLU 166 Cb 0.00 -0.19 0.02 0.00 0.10 0.00 0.00 34.13 34.06 1iqq s GLU 166 CO 0.00 0.03 -0.07 0.42 0.02 0.00 0.00 175.26 175.66 1iqq s ILE 167 N -1.18 0.73 -0.11 -1.63 1.01 -0.34 -1.00 121.20 118.68 1iqq s ILE 167 Ca -0.10 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.34 1iqq s ILE 167 Cb -0.09 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 1iqq s ILE 167 CO -0.00 0.27 -0.14 -0.89 0.00 0.00 0.00 174.94 174.19 1iqq s THR 168 N 0.97 3.01 -0.19 2.92 2.01 0.39 -1.01 115.64 123.74 1iqq s THR 168 Ca -0.10 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.14 1iqq s THR 168 Cb -0.14 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1iqq s THR 168 CO 0.00 0.54 0.05 -0.76 -0.69 0.00 0.00 174.62 173.76 1iqq s LEU 169 N 0.14 3.66 0.04 4.42 1.43 -0.13 -1.89 118.68 126.35 1iqq s LEU 169 Ca -0.07 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1iqq s LEU 169 Cb -0.15 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1iqq s LEU 169 CO 0.05 0.13 0.10 0.00 0.23 0.00 0.00 176.35 176.86 1iqq s SER 171 N -2.10 0.30 1.21 0.00 1.04 -0.21 -1.13 113.70 112.81 1iqq s SER 171 Ca 0.27 -1.16 -0.19 0.00 0.48 0.00 0.00 55.95 55.35 1iqq s SER 171 Cb -0.12 0.30 0.29 0.00 0.10 0.00 0.00 66.02 66.59 1iqq s SER 171 CO 0.19 -0.73 1.09 1.51 0.98 0.00 0.00 173.24 176.28 1iqq s ASP 172 N -3.03 0.84 0.51 7.02 1.47 0.10 -0.99 116.67 122.60 1iqq s ASP 172 Ca 0.22 0.70 0.23 0.00 1.18 0.00 0.00 52.55 54.88 1iqq s ASP 172 Cb 0.07 -0.99 1.33 0.00 -0.34 0.00 0.00 42.92 42.99 1iqq s ASP 172 CO 0.00 -4.18 1.98 0.50 0.68 0.00 0.00 175.17 174.16 1iqq h LYS 173 N -2.62 0.08 0.00 2.11 3.64 -1.90 0.97 116.57 118.85 1iqq h LYS 173 Ca -0.46 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1iqq h LYS 173 Cb 1.30 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1iqq h LYS 173 CO 0.35 0.05 -0.24 -1.13 -2.27 0.00 0.00 179.45 176.22 1iqq n SER 174 N -4.40 0.36 -0.04 4.20 3.41 -1.26 -4.91 113.62 110.98 1iqq n SER 174 Ca 0.11 0.23 -0.01 0.00 -0.26 0.00 0.00 58.87 58.94 1iqq n SER 174 Cb 0.59 -0.22 -0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1iqq n SER 174 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iqq n GLY 175 N 1.45 0.36 0.06 5.00 0.00 0.33 -4.90 105.19 107.50 1iqq n GLY 175 Ca 0.06 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1iqq n GLY 175 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1iqq n GLU 176 N -1.59 0.60 -4.51 1.61 0.28 -1.26 -4.86 120.64 110.91 1iqq n GLU 176 Ca -0.01 -0.02 -0.20 0.00 -0.16 0.00 0.00 57.16 56.77 1iqq n GLU 176 Cb 0.19 -1.68 -0.15 0.00 1.43 0.00 0.00 31.44 31.23 1iqq n GLU 176 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1iqq s HIS 177 N -3.42 1.04 0.61 -1.84 3.76 -1.26 -5.03 115.29 109.16 1iqq s HIS 177 Ca -0.03 -0.20 -0.16 0.00 -0.15 0.00 0.00 55.06 54.52 1iqq s HIS 177 Cb 0.12 -0.67 -0.02 0.00 1.11 0.00 0.00 32.58 33.11 1iqq s HIS 177 CO 0.84 -0.02 1.08 -0.06 -0.85 0.00 0.00 174.74 175.73 1iqq s PHE 178 N -0.28 2.86 0.12 1.40 0.08 -1.26 -0.72 117.98 120.18 1iqq s PHE 178 Ca 0.04 1.52 0.02 0.00 0.12 0.00 0.00 56.93 58.64 1iqq s PHE 178 Cb -0.05 -3.07 -0.04 0.00 -0.57 0.00 0.00 43.02 39.29 1iqq s PHE 178 CO -0.00 -1.32 -0.06 0.96 -0.10 0.00 0.00 175.22 174.70 1iqq s ILE 179 N -2.40 0.78 0.41 0.64 -4.36 -0.29 -4.70 121.20 111.29 1iqq s ILE 179 Ca 0.65 -1.97 -0.26 0.00 -0.26 0.00 0.00 60.65 58.81 1iqq s ILE 179 Cb -0.18 -1.82 -0.09 0.00 1.25 0.00 0.00 42.46 41.63 1iqq s ILE 179 CO 0.38 -0.76 1.30 -1.81 0.24 0.00 0.00 174.94 174.30 1iqq s ASP 180 N -3.10 6.26 -0.01 4.36 1.01 -1.26 -4.15 116.67 119.78 1iqq s ASP 180 Ca 0.16 2.66 -0.30 0.00 0.71 0.00 0.00 52.55 55.77 1iqq s ASP 180 Cb 0.05 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1iqq s ASP 180 CO -0.02 -0.88 1.11 0.00 0.21 0.00 0.00 175.17 175.59 1iqq s PRO 182 N 1.47 2.24 -1.13 0.00 0.04 -1.26 -4.63 135.00 131.72 1iqq s PRO 182 Ca 0.54 -0.16 -0.00 0.00 0.04 0.00 0.00 61.00 61.42 1iqq s PRO 182 Cb -0.24 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 1iqq s PRO 182 CO 0.25 -1.24 0.95 0.72 0.04 0.00 0.00 177.00 177.72 1iqq n HIS 183 N -2.96 -2.11 -1.54 0.56 8.25 -1.26 -4.98 115.22 111.18 1iqq n HIS 183 Ca 0.08 0.89 -0.32 0.00 -0.26 0.00 0.00 57.72 58.11 1iqq n HIS 183 Cb 0.60 -4.87 0.07 0.00 1.12 0.00 0.00 29.99 26.91 1iqq n HIS 183 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1iqq s PRO 184 N -5.21 2.57 0.48 -0.41 0.04 -1.26 -4.97 135.00 126.24 1iqq s PRO 184 Ca 0.04 1.29 -0.23 0.00 0.04 0.00 0.00 61.00 62.13 1iqq s PRO 184 Cb -0.00 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 1iqq s PRO 184 CO 0.70 -1.41 1.31 -0.06 0.04 0.00 0.00 177.00 177.57 1iqq s PHE 185 N -2.59 2.57 0.51 0.56 0.08 -1.26 -5.02 117.98 112.83 1iqq s PHE 185 Ca 0.64 1.41 -0.16 0.00 0.12 0.00 0.00 56.93 58.94 1iqq s PHE 185 Cb -0.19 -3.68 -0.08 0.00 -0.57 0.00 0.00 43.02 38.50 1iqq s PHE 185 CO 0.48 -2.39 0.97 -1.21 -0.10 0.00 0.00 175.22 172.97 1iqq s GLU 186 N -2.65 3.91 0.57 0.44 2.02 -1.26 -4.93 118.70 116.80 1iqq s GLU 186 Ca 0.65 0.90 0.25 0.00 0.02 0.00 0.00 54.97 56.80 1iqq s GLU 186 Cb -0.37 -2.15 1.64 0.00 0.10 0.00 0.00 34.13 33.34 1iqq s GLU 186 CO 0.46 -0.27 2.21 -1.35 0.02 0.00 0.00 175.26 176.33 1iqq h PRO 187 N 0.87 0.00 0.00 0.39 0.11 -1.98 -1.53 132.00 129.86 1iqq h PRO 187 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1iqq h PRO 187 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1iqq h PRO 187 CO 0.62 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.38 1iqq h ILE 188 N 0.00 0.00 -3.90 4.15 6.09 -2.00 -3.46 117.51 118.40 1iqq h ILE 188 Ca 0.01 -0.51 -0.50 0.00 -1.37 0.00 0.00 64.86 62.48 1iqq h ILE 188 Cb 0.05 1.50 0.04 0.00 0.47 0.00 0.00 36.82 38.88 1iqq h ILE 188 CO -0.00 0.00 0.50 -0.55 -3.07 0.00 0.00 178.15 175.03 1iqq s SER 189 N -5.64 6.79 0.00 2.19 0.15 -0.58 -4.92 113.70 111.71 1iqq s SER 189 Ca 0.01 2.32 0.19 0.00 0.70 0.00 0.00 55.95 59.18 1iqq s SER 189 Cb 0.09 -2.62 0.99 0.00 -1.71 0.00 0.00 66.02 62.77 1iqq s SER 189 CO 0.54 -0.48 1.60 -0.81 1.20 0.00 0.00 173.24 175.28 1iqq n PRO 190 N 0.45 0.30 0.00 5.44 -0.04 -1.26 -2.12 135.00 137.77 1iqq n PRO 190 Ca 0.02 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 1iqq n PRO 190 Cb 0.46 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.65 1iqq n PRO 190 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1iqq n HIS 191 N -1.26 0.00 -2.37 0.54 8.25 -1.26 -4.30 115.22 114.82 1iqq n HIS 191 Ca 0.10 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.16 1iqq n HIS 191 Cb 0.15 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 1iqq n HIS 191 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1iqq s TYR 192 N -2.55 3.33 -0.25 4.41 5.04 -0.90 -1.12 117.35 125.31 1iqq s TYR 192 Ca 0.21 1.61 -0.15 0.00 -2.44 0.00 0.00 57.07 56.30 1iqq s TYR 192 Cb 0.19 -3.37 -0.04 0.00 0.35 0.00 0.00 41.96 39.09 1iqq s TYR 192 CO 0.56 -0.98 0.36 0.00 -1.34 0.00 0.00 175.55 174.16 1iqq s PRO 194 N 1.80 1.01 0.53 0.00 0.04 -1.26 -4.95 135.00 132.16 1iqq s PRO 194 Ca 0.16 0.26 0.31 0.00 0.04 0.00 0.00 61.00 61.77 1iqq s PRO 194 Cb -0.15 -1.83 1.32 0.00 0.04 0.00 0.00 34.50 33.88 1iqq s PRO 194 CO 0.09 -2.28 1.97 1.79 0.04 0.00 0.00 177.00 178.61 1iqq h THR 195 N -1.56 0.17 -4.01 1.26 1.35 -1.98 -3.39 112.91 104.75 1iqq h THR 195 Ca -0.50 -0.63 -0.12 0.00 -0.55 0.00 0.00 66.41 64.61 1iqq h THR 195 Cb 1.33 1.54 -0.14 0.00 -1.73 0.00 0.00 68.15 69.15 1iqq h THR 195 CO 0.60 0.06 -0.45 0.21 -0.25 0.00 0.00 175.52 175.69 1iqq s ASN 196 N -5.82 0.18 -1.05 5.36 2.47 -1.26 -1.23 114.94 113.59 1iqq s ASN 196 Ca 0.00 -0.88 -0.06 0.00 0.42 0.00 0.00 52.86 52.34 1iqq s ASN 196 Cb 0.10 0.35 0.01 0.00 -1.45 0.00 0.00 41.25 40.25 1iqq s ASN 196 CO 0.56 -0.77 0.91 0.59 -3.72 0.00 0.00 177.10 174.67 1iqq n ASN 197 N -0.10 -4.80 -4.66 -4.21 3.02 -0.69 -4.89 115.26 98.93 1iqq n ASN 197 Ca -0.10 -0.44 -0.40 0.00 -0.03 0.00 0.00 54.58 53.61 1iqq n ASN 197 Cb 0.63 -4.10 -0.06 0.00 -0.61 0.00 0.00 39.78 35.63 1iqq n ASN 197 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1iqq s ILE 198 N -3.26 5.07 -0.01 2.41 1.01 -0.17 -4.36 121.20 121.89 1iqq s ILE 198 Ca 0.37 1.04 -0.27 0.00 0.00 0.00 0.00 60.65 61.79 1iqq s ILE 198 Cb -0.16 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 1iqq s ILE 198 CO 0.58 0.14 0.85 -0.75 0.00 0.00 0.00 174.94 175.76 1iqq s LYS 199 N 1.79 4.52 0.00 2.79 2.20 0.39 0.15 119.74 131.58 1iqq s LYS 199 Ca 0.26 1.19 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 1iqq s LYS 199 Cb -0.16 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1iqq s LYS 199 CO 0.10 0.06 0.00 0.98 -0.36 0.00 0.00 175.35 176.13