#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3igq s SER 6 N 0.00 5.82 0.59 4.52 1.04 -1.26 -4.68 113.70 119.74 3igq s SER 6 Ca 0.00 0.81 -0.20 0.00 0.48 0.00 0.00 55.95 57.05 3igq s SER 6 Cb 0.00 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.18 3igq s SER 6 CO 0.00 -0.92 1.24 -2.65 0.98 0.00 0.00 173.24 171.89 3igq n PRO 7 N -2.50 1.28 -1.99 4.02 -0.02 -1.26 -4.62 135.00 129.91 3igq n PRO 7 Ca 0.03 0.49 -0.39 0.00 -2.02 0.00 0.00 63.50 61.61 3igq n PRO 7 Cb 0.57 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3igq n PRO 7 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3igq s PRO 8 N -3.02 3.87 0.63 0.52 0.04 -1.26 -5.01 135.00 130.77 3igq s PRO 8 Ca 0.77 2.21 -0.13 0.00 0.04 0.00 0.00 61.00 63.89 3igq s PRO 8 Cb -0.41 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 3igq s PRO 8 CO 0.45 -0.59 1.04 -1.25 0.04 0.00 0.00 177.00 176.69 3igq s PRO 9 N -2.32 3.38 0.65 0.56 0.04 -1.26 -4.90 135.00 131.14 3igq s PRO 9 Ca 0.58 0.93 -0.18 0.00 0.04 0.00 0.00 61.00 62.37 3igq s PRO 9 Cb -0.39 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 3igq s PRO 9 CO 0.50 -0.75 1.25 -2.14 0.04 0.00 0.00 177.00 175.91 3igq s PRO 10 N -4.78 2.60 -0.16 0.56 0.02 -1.26 -4.79 135.00 127.19 3igq s PRO 10 Ca 0.58 1.93 -0.01 0.00 0.02 0.00 0.00 61.00 63.52 3igq s PRO 10 Cb -0.13 -1.87 0.08 0.00 0.02 0.00 0.00 34.50 32.61 3igq s PRO 10 CO 0.48 -1.52 2.13 -0.89 -0.33 0.00 0.00 177.00 176.87 3igq n ILE 11 N -1.96 2.46 0.00 2.83 5.41 -1.26 -4.89 119.36 121.94 3igq n ILE 11 Ca 0.15 -1.17 0.00 0.00 1.00 0.00 0.00 62.75 62.73 3igq n ILE 11 Cb 0.49 -1.46 0.00 0.00 -0.71 0.00 0.00 39.64 37.96 3igq n ILE 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3igq n ALA 12 N 1.03 0.00 0.13 -1.39 0.00 -1.26 -4.82 120.51 114.19 3igq n ALA 12 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.64 3igq n ALA 12 Cb 0.56 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.04 3igq n ALA 12 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3igq n ASP 13 N 0.00 1.63 -4.77 0.00 3.85 -1.26 -5.08 116.55 110.93 3igq n ASP 13 Ca 0.00 -1.39 -0.38 0.00 -0.71 0.00 0.00 54.79 52.31 3igq n ASP 13 Cb 0.00 -0.02 -0.00 0.00 -1.35 0.00 0.00 41.12 39.75 3igq n ASP 13 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 3igq s GLU 14 N -0.54 3.75 1.03 0.11 1.03 -1.26 -5.02 118.70 117.80 3igq s GLU 14 Ca 0.06 1.96 -0.12 0.00 0.03 0.00 0.00 54.97 56.90 3igq s GLU 14 Cb 0.04 -2.51 0.21 0.00 -0.80 0.00 0.00 34.13 31.07 3igq s GLU 14 CO 0.06 -0.61 1.08 -1.25 -1.33 0.00 0.00 175.26 173.21 3igq s PRO 15 N -2.55 0.18 -0.58 -4.83 0.05 -1.26 -4.87 135.00 121.14 3igq s PRO 15 Ca 0.62 0.57 -0.21 0.00 0.05 0.00 0.00 61.00 62.02 3igq s PRO 15 Cb -0.33 -1.70 0.06 0.00 0.05 0.00 0.00 34.50 32.58 3igq s PRO 15 CO 0.41 -2.92 0.83 -1.17 0.05 0.00 0.00 177.00 174.20 3igq s LEU 16 N -6.60 4.62 -0.05 -3.56 2.96 -0.35 -4.98 118.68 110.73 3igq s LEU 16 Ca 0.66 -0.86 -0.27 0.00 -0.22 0.00 0.00 54.13 53.44 3igq s LEU 16 Cb -0.20 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 43.94 3igq s LEU 16 CO 0.59 -1.19 0.84 -0.89 -1.32 0.00 0.00 176.35 174.39 3igq s THR 17 N 3.44 4.95 -0.28 3.68 2.01 -1.26 -0.58 115.64 127.59 3igq s THR 17 Ca 0.21 1.75 0.02 0.00 0.31 0.00 0.00 61.69 63.98 3igq s THR 17 Cb -0.17 -4.18 0.07 0.00 0.01 0.00 0.00 72.50 68.22 3igq s THR 17 CO 0.12 0.18 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.48 3igq s VAL 18 N 1.05 2.31 0.07 3.82 1.01 0.12 -4.43 120.40 124.34 3igq s VAL 18 Ca 0.44 -1.73 -0.29 0.00 0.00 0.00 0.00 61.98 60.40 3igq s VAL 18 Cb -0.19 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 3igq s VAL 18 CO 0.22 -0.14 0.93 0.20 0.00 0.00 0.00 175.10 176.31 3igq s ASN 19 N 1.10 7.41 0.22 3.32 0.01 -0.09 -0.32 114.94 126.59 3igq s ASN 19 Ca -0.05 1.69 0.10 0.00 -0.71 0.00 0.00 52.86 53.89 3igq s ASN 19 Cb -0.20 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 38.85 3igq s ASN 19 CO -0.05 -0.11 -0.18 0.42 -1.51 0.00 0.00 177.10 175.67 3igq s THR 20 N 0.30 2.09 0.01 1.60 -4.23 -0.36 -0.15 115.64 114.90 3igq s THR 20 Ca 0.47 -2.20 -0.18 0.00 -1.18 0.00 0.00 61.69 58.61 3igq s THR 20 Cb -0.22 -2.10 0.03 0.00 1.34 0.00 0.00 72.50 71.55 3igq s THR 20 CO 0.28 -0.41 0.39 -0.83 -0.54 0.00 0.00 174.62 173.51 3igq s GLY 21 N -3.16 -0.24 -0.10 3.99 0.00 -0.57 -0.75 107.32 106.48 3igq s GLY 21 Ca 0.23 0.41 0.01 0.00 0.00 0.00 0.00 44.72 45.38 3igq s GLY 21 CO 0.10 0.16 -0.13 -0.42 0.00 0.00 0.00 173.10 172.82 3igq s ILE 22 N -1.82 1.31 -0.35 0.90 1.01 -1.09 -1.21 121.20 119.96 3igq s ILE 22 Ca -0.10 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 3igq s ILE 22 Cb -0.03 -1.23 0.04 0.00 0.01 0.00 0.00 42.46 41.25 3igq s ILE 22 CO 0.02 0.41 0.13 -0.47 0.00 0.00 0.00 174.94 175.03 3igq s TYR 23 N 1.12 3.25 0.07 3.97 6.14 -0.37 -1.73 117.35 129.79 3igq s TYR 23 Ca -0.05 -1.29 -0.30 0.00 0.64 0.00 0.00 57.07 56.06 3igq s TYR 23 Cb -0.14 -2.32 -0.05 0.00 0.42 0.00 0.00 41.96 39.86 3igq s TYR 23 CO -0.03 -0.71 1.14 -0.51 0.64 0.00 0.00 175.55 176.09 3igq s LEU 24 N 1.44 4.39 -0.25 6.97 1.43 -0.11 -1.15 118.68 131.41 3igq s LEU 24 Ca -0.01 1.96 -0.11 0.00 -1.03 0.00 0.00 54.13 54.95 3igq s LEU 24 Cb -0.19 -3.58 -0.16 0.00 0.03 0.00 0.00 46.19 42.29 3igq s LEU 24 CO 0.04 -0.39 -0.16 -0.38 0.23 0.00 0.00 176.35 175.69 3igq n ILE 25 N 3.68 1.55 -3.66 -0.59 5.41 0.19 -1.50 119.36 124.44 3igq n ILE 25 Ca 0.07 -0.39 -0.13 0.00 1.00 0.00 0.00 62.75 63.31 3igq n ILE 25 Cb 0.47 -1.79 -0.08 0.00 -0.71 0.00 0.00 39.64 37.53 3igq n ILE 25 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3igq s GLU 26 N -2.49 0.70 -0.02 0.38 2.56 -0.60 -4.64 118.70 114.58 3igq s GLU 26 Ca -0.35 0.91 0.04 0.00 0.00 0.00 0.00 54.97 55.57 3igq s GLU 26 Cb 0.11 0.30 -0.03 0.00 2.00 0.00 0.00 34.13 36.51 3igq s GLU 26 CO 0.56 -0.10 -0.12 0.00 -0.56 0.00 0.00 175.26 175.04 3igq s TYR 28 N -0.83 -0.16 -1.23 0.00 1.13 -0.46 -4.54 117.35 111.27 3igq s TYR 28 Ca 0.13 -0.17 -0.05 0.00 -1.41 0.00 0.00 57.07 55.58 3igq s TYR 28 Cb -0.11 0.65 0.01 0.00 -1.10 0.00 0.00 41.96 41.40 3igq s TYR 28 CO 0.03 -0.89 1.05 0.45 -2.51 0.00 0.00 175.55 173.68 3igq n SER 29 N -0.46 -4.31 -4.65 -0.18 2.88 -1.26 -0.29 113.62 105.35 3igq n SER 29 Ca -0.06 -0.55 -0.50 0.00 -1.33 0.00 0.00 58.87 56.44 3igq n SER 29 Cb 0.60 -4.86 -0.05 0.00 -0.75 0.00 0.00 64.21 59.15 3igq n SER 29 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3igq n LEU 30 N -4.43 2.57 -4.74 2.46 7.94 -1.26 -4.05 117.00 115.50 3igq n LEU 30 Ca -0.12 1.08 -0.29 0.00 -1.11 0.00 0.00 56.01 55.57 3igq n LEU 30 Cb 0.60 -1.31 0.15 0.00 0.53 0.00 0.00 43.42 43.39 3igq n LEU 30 CO 0.60 -0.53 0.68 1.51 -1.11 0.00 0.00 177.39 178.54 3igq s ASP 31 N 1.45 3.24 0.58 1.96 1.47 -0.42 -4.90 116.67 120.06 3igq s ASP 31 Ca 0.85 1.15 0.27 0.00 1.18 0.00 0.00 52.55 56.00 3igq s ASP 31 Cb -0.81 -1.79 1.68 0.00 -0.34 0.00 0.00 42.92 41.65 3igq s ASP 31 CO 0.46 -2.74 2.17 0.44 0.68 0.00 0.00 175.17 176.18 3igq h ASP 32 N -1.62 0.00 -0.11 2.11 3.32 -1.94 -1.25 116.42 116.93 3igq h ASP 32 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3igq h ASP 32 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3igq h ASP 32 CO 0.59 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 178.40 3igq n LYS 33 N -3.94 2.14 -3.78 3.56 5.02 -1.26 -4.94 118.16 114.97 3igq n LYS 33 Ca -0.01 -1.68 -0.27 0.00 -2.02 0.00 0.00 58.31 54.34 3igq n LYS 33 Cb 0.20 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.78 3igq n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3igq n ALA 34 N 0.98 -1.44 -0.09 7.82 0.00 -0.47 -4.84 120.51 122.47 3igq n ALA 34 Ca 0.16 0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.69 3igq n ALA 34 Cb 0.51 -4.28 -0.13 0.00 0.00 0.00 0.00 19.45 15.56 3igq n ALA 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3igq n GLU 35 N -4.68 1.08 -4.00 0.00 1.02 -1.26 -0.31 120.64 112.49 3igq n GLU 35 Ca -0.03 0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.04 3igq n GLU 35 Cb 0.56 -1.44 -0.10 0.00 -0.02 0.00 0.00 31.44 30.45 3igq n GLU 35 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3igq s THR 36 N -2.42 0.17 0.03 2.62 -4.23 -1.26 -2.34 115.64 108.20 3igq s THR 36 Ca -0.12 -1.40 -0.22 0.00 -1.18 0.00 0.00 61.69 58.77 3igq s THR 36 Cb 0.06 -1.13 0.05 0.00 1.34 0.00 0.00 72.50 72.82 3igq s THR 36 CO 0.67 -0.77 0.51 0.72 -0.54 0.00 0.00 174.62 175.21 3igq s PHE 37 N -3.16 -0.42 0.18 3.99 -0.71 -0.95 -1.30 117.98 115.62 3igq s PHE 37 Ca -0.00 0.52 -0.16 0.00 -1.04 0.00 0.00 56.93 56.25 3igq s PHE 37 Cb 0.02 0.31 -0.07 0.00 -1.21 0.00 0.00 43.02 42.07 3igq s PHE 37 CO -0.07 -0.60 0.62 0.15 -1.34 0.00 0.00 175.22 173.97 3igq s LYS 38 N -2.15 4.07 -0.07 1.99 1.02 0.60 -0.88 119.74 124.32 3igq s LYS 38 Ca -0.07 0.62 0.02 0.00 0.02 0.00 0.00 55.97 56.57 3igq s LYS 38 Cb -0.01 -2.89 0.01 0.00 -0.52 0.00 0.00 37.83 34.43 3igq s LYS 38 CO 0.01 0.43 -0.13 0.08 -0.92 0.00 0.00 175.35 174.81 3igq s VAL 39 N -1.52 1.23 -0.17 3.17 1.01 -0.36 -1.35 120.40 122.41 3igq s VAL 39 Ca 0.40 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 3igq s VAL 39 Cb -0.15 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 3igq s VAL 39 CO 0.20 0.38 -0.09 0.21 0.00 0.00 0.00 175.10 175.79 3igq s ASN 40 N 0.68 4.11 0.25 3.32 3.84 0.19 -2.37 114.94 124.96 3igq s ASN 40 Ca -0.14 -0.37 -0.15 0.00 0.21 0.00 0.00 52.86 52.41 3igq s ASN 40 Cb -0.16 -1.67 0.00 0.00 -0.55 0.00 0.00 41.25 38.88 3igq s ASN 40 CO 0.04 0.07 0.54 0.00 -2.79 0.00 0.00 177.10 174.95 3igq s ALA 41 N 0.91 -0.50 0.02 1.71 0.00 -0.77 0.55 121.76 123.68 3igq s ALA 41 Ca -0.02 -0.71 -0.09 0.00 0.00 0.00 0.00 51.96 51.13 3igq s ALA 41 Cb -0.15 1.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 3igq s ALA 41 CO 0.00 -0.89 0.33 -0.06 0.00 0.00 0.00 175.76 175.13 3igq s PHE 42 N -3.99 3.61 -0.11 0.00 0.08 -0.30 0.16 117.98 117.42 3igq s PHE 42 Ca 0.19 0.72 0.03 0.00 0.12 0.00 0.00 56.93 57.99 3igq s PHE 42 Cb -0.02 -2.10 -0.00 0.00 -0.57 0.00 0.00 43.02 40.33 3igq s PHE 42 CO 0.08 0.60 -0.20 -1.17 -0.10 0.00 0.00 175.22 174.43 3igq s LEU 43 N -1.60 2.28 -0.09 -0.37 2.96 -0.28 -1.24 118.68 120.35 3igq s LEU 43 Ca 0.27 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 3igq s LEU 43 Cb -0.14 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 3igq s LEU 43 CO 0.15 0.15 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.73 3igq s SER 44 N 0.41 3.85 0.03 3.68 0.01 -0.35 -1.08 113.70 120.25 3igq s SER 44 Ca -0.15 -0.31 0.05 0.00 1.31 0.00 0.00 55.95 56.84 3igq s SER 44 Cb -0.17 -1.22 -0.02 0.00 0.21 0.00 0.00 66.02 64.82 3igq s SER 44 CO 0.07 0.24 -0.14 -0.76 0.41 0.00 0.00 173.24 173.06 3igq s LEU 45 N -0.12 2.13 -0.02 2.44 1.43 -0.30 -1.52 118.68 122.72 3igq s LEU 45 Ca -0.02 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 3igq s LEU 45 Cb -0.14 -0.64 0.01 0.00 0.03 0.00 0.00 46.19 45.46 3igq s LEU 45 CO 0.04 0.07 0.06 -0.55 0.23 0.00 0.00 176.35 176.20 3igq s SER 46 N -0.92 -0.04 0.13 2.29 0.15 0.79 0.29 113.70 116.39 3igq s SER 46 Ca 0.03 0.12 -0.25 0.00 0.70 0.00 0.00 55.95 56.54 3igq s SER 46 Cb -0.07 0.08 0.07 0.00 -1.71 0.00 0.00 66.02 64.39 3igq s SER 46 CO 0.01 -0.05 0.83 -1.66 1.20 0.00 0.00 173.24 173.57 3igq s TRP 47 N 0.36 -0.28 -0.17 3.44 -2.14 -0.97 -0.91 118.94 118.27 3igq s TRP 47 Ca -0.03 0.02 -0.09 0.00 2.66 0.00 0.00 56.10 58.66 3igq s TRP 47 Cb -0.04 0.61 -0.05 0.00 -3.10 0.00 0.00 33.47 30.89 3igq s TRP 47 CO -0.01 -0.81 0.14 0.21 -2.66 0.00 0.00 176.95 173.82 3igq s LYS 48 N -3.42 3.92 -0.35 3.25 2.47 -1.26 0.22 119.74 124.56 3igq s LYS 48 Ca 0.08 -0.17 0.00 0.00 -1.56 0.00 0.00 55.97 54.33 3igq s LYS 48 Cb -0.02 -3.34 0.11 0.00 -1.46 0.00 0.00 37.83 33.13 3igq s LYS 48 CO -0.03 0.47 0.15 0.34 0.16 0.00 0.00 175.35 176.44 3igq s ASP 49 N -0.15 3.89 0.60 1.43 -1.08 0.58 -4.85 116.67 117.09 3igq s ASP 49 Ca 0.11 -2.01 0.30 0.00 -0.52 0.00 0.00 52.55 50.44 3igq s ASP 49 Cb -0.12 -0.93 1.74 0.00 -1.46 0.00 0.00 42.92 42.15 3igq s ASP 49 CO 0.01 -0.36 2.14 0.08 0.52 0.00 0.00 175.17 177.55 3igq h ARG 50 N 7.58 0.00 0.00 4.34 0.11 -1.85 -0.65 114.38 123.90 3igq h ARG 50 Ca -0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 3igq h ARG 50 Cb 0.98 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.06 3igq h ARG 50 CO 0.47 0.00 0.00 0.54 0.10 0.00 0.00 179.97 181.08 3igq n ARG 51 N -3.71 0.02 -0.13 0.08 1.74 -1.26 -1.29 116.66 112.10 3igq n ARG 51 Ca 0.00 0.31 0.07 0.00 -0.77 0.00 0.00 57.85 57.47 3igq n ARG 51 Cb 0.27 -1.53 0.14 0.00 -1.02 0.00 0.00 32.46 30.31 3igq n ARG 51 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3igq n LEU 52 N -1.56 2.75 -4.74 0.55 4.77 -0.25 -5.00 117.00 113.52 3igq n LEU 52 Ca 0.03 -1.57 -0.34 0.00 -0.03 0.00 0.00 56.01 54.10 3igq n LEU 52 Cb 0.14 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.14 3igq n LEU 52 CO 0.11 0.62 0.77 0.00 -1.33 0.00 0.00 177.39 177.57 3igq s ALA 53 N -1.08 2.26 0.13 -1.18 0.00 -0.41 -4.49 121.76 117.00 3igq s ALA 53 Ca 0.24 0.75 -0.18 0.00 0.00 0.00 0.00 51.96 52.77 3igq s ALA 53 Cb 0.14 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.89 3igq s ALA 53 CO 0.19 -1.62 0.45 -0.59 0.00 0.00 0.00 175.76 174.19 3igq s PHE 54 N -2.12 -0.27 -0.39 0.00 -0.71 0.05 -4.92 117.98 109.62 3igq s PHE 54 Ca 0.71 -0.02 -0.22 0.00 -1.04 0.00 0.00 56.93 56.36 3igq s PHE 54 Cb -0.26 0.33 0.01 0.00 -1.21 0.00 0.00 43.02 41.89 3igq s PHE 54 CO 0.43 -0.74 0.70 0.34 -1.34 0.00 0.00 175.22 174.62 3igq s ASP 55 N -2.79 6.43 0.38 1.98 -1.08 -1.26 -4.57 116.67 115.75 3igq s ASP 55 Ca 0.03 0.06 0.19 0.00 -0.52 0.00 0.00 52.55 52.31 3igq s ASP 55 Cb 0.01 -2.35 0.68 0.00 -1.46 0.00 0.00 42.92 39.80 3igq s ASP 55 CO -0.12 -0.72 1.73 1.55 0.52 0.00 0.00 175.17 178.13 3igq h PRO 56 N 8.64 0.00 0.00 4.34 0.13 -1.93 -1.77 132.00 141.41 3igq h PRO 56 Ca -0.25 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3igq h PRO 56 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3igq h PRO 56 CO 0.89 0.37 -0.00 0.28 -0.23 0.00 0.00 178.00 179.31 3igq h VAL 57 N 0.00 1.42 -0.13 1.56 2.07 -1.92 0.39 116.25 119.65 3igq h VAL 57 Ca -0.00 -1.27 -0.19 0.00 0.82 0.00 0.00 66.70 66.06 3igq h VAL 57 Cb 0.90 2.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 3igq h VAL 57 CO 0.05 0.33 -0.71 0.03 0.02 0.00 0.00 177.57 177.29 3igq h ARG 58 N -0.55 0.57 0.00 1.57 3.08 -1.96 -3.25 114.38 113.85 3igq h ARG 58 Ca -0.00 -0.44 -0.06 0.00 0.07 0.00 0.00 59.98 59.54 3igq h ARG 58 Cb 0.54 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3igq h ARG 58 CO 0.00 1.07 -0.42 0.66 -1.07 0.00 0.00 179.97 180.20 3igq h SER 59 N 0.40 0.00 0.00 7.04 4.64 -1.37 -3.47 113.55 120.79 3igq h SER 59 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3igq h SER 59 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3igq h SER 59 CO 0.13 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.98 3igq n GLY 60 N 1.19 0.91 3.61 -0.77 0.00 0.14 -5.03 105.19 105.22 3igq n GLY 60 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 3igq n GLY 60 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3igq s VAL 61 N -3.61 3.39 -0.56 1.61 -7.23 -1.18 -5.01 120.40 107.80 3igq s VAL 61 Ca 0.00 -1.61 0.08 0.00 -1.81 0.00 0.00 61.98 58.64 3igq s VAL 61 Cb 0.00 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.19 3igq s VAL 61 CO 0.00 -0.14 0.45 -1.14 -0.31 0.00 0.00 175.10 173.96 3igq n ARG 62 N -0.11 3.36 -3.73 4.82 0.00 -1.26 -4.27 116.66 115.47 3igq n ARG 62 Ca -0.10 -0.26 -0.13 0.00 -0.00 0.00 0.00 57.85 57.37 3igq n ARG 62 Cb 0.56 -0.95 -0.10 0.00 0.00 0.00 0.00 32.46 31.97 3igq n ARG 62 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3igq s VAL 63 N -1.50 -0.00 -0.01 5.15 1.01 -1.26 -4.36 120.40 119.42 3igq s VAL 63 Ca 0.05 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.08 3igq s VAL 63 Cb 0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 3igq s VAL 63 CO 0.27 0.01 -0.11 -0.54 0.00 0.00 0.00 175.10 174.72 3igq s LYS 64 N 0.41 2.45 -0.08 2.72 1.02 -0.65 -4.92 119.74 120.70 3igq s LYS 64 Ca -0.02 -0.75 -0.03 0.00 0.02 0.00 0.00 55.97 55.20 3igq s LYS 64 Cb -0.04 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.83 3igq s LYS 64 CO -0.02 0.60 0.04 0.99 -0.92 0.00 0.00 175.35 176.04 3igq s THR 65 N -0.88 4.60 0.22 2.17 2.01 -1.26 -0.37 115.64 122.12 3igq s THR 65 Ca 0.14 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.00 3igq s THR 65 Cb -0.11 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 3igq s THR 65 CO 0.04 0.58 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.22 3igq s TYR 66 N -0.95 1.52 -0.05 4.92 1.51 -0.93 -5.01 117.35 118.36 3igq s TYR 66 Ca 0.15 -0.88 0.01 0.00 -1.01 0.00 0.00 57.07 55.33 3igq s TYR 66 Cb -0.12 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 40.84 3igq s TYR 66 CO 0.04 -0.00 -0.04 -2.00 -1.11 0.00 0.00 175.55 172.43 3igq s GLU 67 N -3.83 2.77 0.55 -0.62 2.56 -1.26 -4.35 118.70 114.51 3igq s GLU 67 Ca 0.26 -0.55 0.28 0.00 0.00 0.00 0.00 54.97 54.95 3igq s GLU 67 Cb 0.05 -2.63 1.46 0.00 2.00 0.00 0.00 34.13 35.01 3igq s GLU 67 CO 0.07 0.66 1.97 -1.35 -0.56 0.00 0.00 175.26 176.05 3igq h PRO 68 N 4.99 0.00 0.00 4.30 0.10 -1.99 0.57 132.00 139.97 3igq h PRO 68 Ca -0.49 0.00 -0.04 0.00 0.10 0.00 0.00 66.00 65.57 3igq h PRO 68 Cb 1.18 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.27 3igq h PRO 68 CO 0.54 0.00 -0.20 0.93 0.10 0.00 0.00 178.00 179.37 3igq h GLU 69 N 0.00 0.00 0.00 1.05 3.07 -2.02 -3.26 114.58 113.42 3igq h GLU 69 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 3igq h GLU 69 Cb 1.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 3igq h GLU 69 CO -0.00 0.20 -0.39 0.00 -1.40 0.00 0.00 179.01 177.41 3igq n ALA 70 N -2.19 2.72 -2.25 3.43 0.00 0.20 -4.91 120.51 117.51 3igq n ALA 70 Ca 0.01 -0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 3igq n ALA 70 Cb 0.46 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 3igq n ALA 70 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3igq s ILE 71 N -3.13 0.87 0.23 0.00 -4.36 -1.23 -4.72 121.20 108.86 3igq s ILE 71 Ca 0.08 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.17 3igq s ILE 71 Cb 0.13 -2.05 -0.09 0.00 1.25 0.00 0.00 42.46 41.71 3igq s ILE 71 CO 0.67 -0.56 1.07 0.86 0.24 0.00 0.00 174.94 177.22 3igq s TRP 72 N -3.53 3.67 -0.02 1.37 -0.00 -1.26 -4.85 118.94 114.32 3igq s TRP 72 Ca 0.22 1.71 0.00 0.00 -0.00 0.00 0.00 56.10 58.03 3igq s TRP 72 Cb 0.05 -3.22 0.02 0.00 -0.00 0.00 0.00 33.47 30.32 3igq s TRP 72 CO 0.03 -0.36 -0.00 0.42 -0.00 0.00 0.00 176.95 177.03 3igq s ILE 73 N -0.82 0.15 0.48 5.86 1.01 -1.26 -5.03 121.20 121.59 3igq s ILE 73 Ca 0.46 0.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.92 3igq s ILE 73 Cb -0.30 -0.22 -0.07 0.00 0.01 0.00 0.00 42.46 41.88 3igq s ILE 73 CO 0.37 0.11 1.28 -2.16 0.00 0.00 0.00 174.94 174.55 3igq s PRO 74 N 0.74 3.58 -0.48 2.79 0.04 -1.26 -4.94 135.00 135.47 3igq s PRO 74 Ca -0.07 2.07 -0.17 0.00 0.04 0.00 0.00 61.00 62.87 3igq s PRO 74 Cb -0.10 -2.45 0.06 0.00 0.04 0.00 0.00 34.50 32.05 3igq s PRO 74 CO -0.01 -0.78 0.51 -1.21 0.04 0.00 0.00 177.00 175.54 3igq s GLU 75 N -2.65 3.06 -0.08 4.56 2.02 -1.26 -5.03 118.70 119.31 3igq s GLU 75 Ca 0.65 -1.09 -0.14 0.00 0.02 0.00 0.00 54.97 54.41 3igq s GLU 75 Cb -0.36 -4.10 -0.05 0.00 0.10 0.00 0.00 34.13 29.72 3igq s GLU 75 CO 0.44 -1.11 0.34 0.42 0.02 0.00 0.00 175.26 175.37 3igq s ILE 76 N 2.15 5.21 -0.12 -1.63 -1.09 -1.26 -0.99 121.20 123.47 3igq s ILE 76 Ca 0.10 0.66 0.02 0.00 -2.23 0.00 0.00 60.65 59.20 3igq s ILE 76 Cb -0.21 -3.65 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 3igq s ILE 76 CO 0.10 0.49 -0.17 -0.13 -1.23 0.00 0.00 174.94 174.00 3igq s ARG 77 N -0.37 2.45 0.03 2.79 1.81 -0.43 -4.99 118.95 120.23 3igq s ARG 77 Ca 0.20 -0.64 -0.30 0.00 -1.72 0.00 0.00 55.73 53.27 3igq s ARG 77 Cb -0.15 -2.06 -0.05 0.00 -0.45 0.00 0.00 34.95 32.24 3igq s ARG 77 CO 0.08 -0.07 1.16 -0.06 -0.68 0.00 0.00 175.30 175.73 3igq s PHE 78 N 1.00 3.44 -0.08 -0.53 0.40 -1.26 -1.35 117.98 119.60 3igq s PHE 78 Ca -0.05 1.36 -0.21 0.00 -0.60 0.00 0.00 56.93 57.43 3igq s PHE 78 Cb -0.15 -3.36 -0.17 0.00 0.51 0.00 0.00 43.02 39.85 3igq s PHE 78 CO -0.03 -1.03 0.79 0.28 0.70 0.00 0.00 175.22 175.93 3igq h VAL 79 N 4.66 1.07 -2.47 -0.44 2.07 -0.44 -3.38 116.25 117.31 3igq h VAL 79 Ca -0.40 -1.45 -0.80 0.00 0.82 0.00 0.00 66.70 64.87 3igq h VAL 79 Cb 1.21 1.88 -0.28 0.00 -1.52 0.00 0.00 31.29 32.57 3igq h VAL 79 CO 0.81 0.31 0.90 -0.46 0.02 0.00 0.00 177.57 179.15 3igq n ASN 80 N -4.81 6.96 -4.35 0.57 6.94 -1.26 -4.92 115.26 114.39 3igq n ASN 80 Ca -0.08 -3.60 -0.22 0.00 -0.02 0.00 0.00 54.58 50.66 3igq n ASN 80 Cb 0.29 -1.18 -0.11 0.00 -2.36 0.00 0.00 39.78 36.41 3igq n ASN 80 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3igq s VAL 81 N -3.82 1.89 0.04 3.53 -7.23 -1.26 -0.55 120.40 113.00 3igq s VAL 81 Ca 0.37 -1.94 -0.25 0.00 -1.81 0.00 0.00 61.98 58.35 3igq s VAL 81 Cb 0.15 -1.89 -0.17 0.00 0.56 0.00 0.00 36.38 35.03 3igq s VAL 81 CO -0.05 -0.30 1.53 -0.08 -0.31 0.00 0.00 175.10 175.89 3igq h GLU 82 N 3.21 -0.06 -5.50 4.82 4.81 -1.29 -3.45 114.58 117.12 3igq h GLU 82 Ca -0.43 0.00 -0.43 0.00 -0.13 0.00 0.00 59.36 58.38 3igq h GLU 82 Cb 1.21 0.01 -0.18 0.00 0.63 0.00 0.00 28.75 30.42 3igq h GLU 82 CO 0.51 0.15 -0.76 -0.80 -0.73 0.00 0.00 179.01 177.37 3igq s ASN 83 N -5.33 2.09 0.13 1.04 0.01 -1.26 -5.10 114.94 106.52 3igq s ASN 83 Ca -0.14 -0.81 -0.22 0.00 -0.71 0.00 0.00 52.86 50.97 3igq s ASN 83 Cb 0.04 -0.08 -0.13 0.00 0.41 0.00 0.00 41.25 41.49 3igq s ASN 83 CO 0.66 -0.12 0.45 0.00 -1.51 0.00 0.00 177.10 176.57 3igq n ALA 84 N 0.53 -2.49 -1.24 0.60 0.00 -1.26 -4.78 120.51 111.88 3igq n ALA 84 Ca -0.15 0.35 -0.34 0.00 0.00 0.00 0.00 53.44 53.30 3igq n ALA 84 Cb 0.57 -1.24 0.11 0.00 0.00 0.00 0.00 19.45 18.89 3igq n ALA 84 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3igq s ARG 85 N -0.66 1.93 -0.37 0.00 1.70 -1.26 -4.96 118.95 115.33 3igq s ARG 85 Ca 0.51 1.72 -0.16 0.00 -0.47 0.00 0.00 55.73 57.34 3igq s ARG 85 Cb -0.74 -1.81 -0.00 0.00 -0.57 0.00 0.00 34.95 31.83 3igq s ARG 85 CO 0.43 -1.99 0.38 0.34 -1.08 0.00 0.00 175.30 173.37 3igq s ASP 86 N -2.16 6.18 -0.01 -2.89 2.15 0.27 -4.94 116.67 115.26 3igq s ASP 86 Ca 0.73 -0.40 0.07 0.00 0.43 0.00 0.00 52.55 53.37 3igq s ASP 86 Cb -0.28 -2.20 -0.02 0.00 -0.30 0.00 0.00 42.92 40.12 3igq s ASP 86 CO 0.48 -0.41 -0.21 0.00 -0.17 0.00 0.00 175.17 174.86 3igq s ALA 87 N 2.02 1.74 -0.18 3.66 0.00 -1.26 -0.51 121.76 127.23 3igq s ALA 87 Ca 0.11 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.17 3igq s ALA 87 Cb -0.17 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.53 3igq s ALA 87 CO 0.12 0.43 -0.20 -0.51 0.00 0.00 0.00 175.76 175.60 3igq s ASP 88 N -0.53 3.11 0.20 0.00 1.01 -0.37 -4.99 116.67 115.11 3igq s ASP 88 Ca 0.08 -0.64 -0.32 0.00 0.71 0.00 0.00 52.55 52.37 3igq s ASP 88 Cb -0.08 -1.46 -0.13 0.00 1.01 0.00 0.00 42.92 42.26 3igq s ASP 88 CO -0.01 -0.00 1.66 0.52 0.21 0.00 0.00 175.17 177.55 3igq n VAL 89 N 4.63 0.13 -0.11 -1.27 0.31 -1.26 -1.30 118.33 119.46 3igq n VAL 89 Ca -0.21 -0.03 -0.19 0.00 -0.01 0.00 0.00 64.34 63.90 3igq n VAL 89 Cb 0.50 -1.84 -0.09 0.00 -0.91 0.00 0.00 33.84 31.50 3igq n VAL 89 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3igq n VAL 90 N 3.58 1.20 -3.70 2.52 0.31 0.21 -4.90 118.33 117.56 3igq n VAL 90 Ca 0.15 -0.38 -0.11 0.00 -0.01 0.00 0.00 64.34 63.99 3igq n VAL 90 Cb 0.33 -1.52 -0.11 0.00 -0.91 0.00 0.00 33.84 31.64 3igq n VAL 90 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3igq s ASP 91 N -6.50 -0.50 -0.20 4.52 2.15 -0.96 -4.99 116.67 110.18 3igq s ASP 91 Ca -0.30 0.88 0.01 0.00 0.43 0.00 0.00 52.55 53.57 3igq s ASP 91 Cb 0.10 0.77 0.04 0.00 -0.30 0.00 0.00 42.92 43.53 3igq s ASP 91 CO 0.43 -0.19 -0.11 -0.63 -0.17 0.00 0.00 175.17 174.51 3igq s ILE 92 N 1.29 1.67 -0.01 4.11 1.01 -1.26 0.39 121.20 128.40 3igq s ILE 92 Ca -0.09 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.57 3igq s ILE 92 Cb -0.08 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.67 3igq s ILE 92 CO -0.11 0.19 -0.01 -0.94 0.00 0.00 0.00 174.94 174.06 3igq s SER 93 N 1.39 0.25 -0.12 3.58 1.04 -0.28 -2.19 113.70 117.36 3igq s SER 93 Ca -0.01 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.39 3igq s SER 93 Cb -0.16 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 3igq s SER 93 CO -0.08 0.00 -0.14 -0.69 0.98 0.00 0.00 173.24 173.31 3igq s VAL 94 N 0.15 3.01 0.72 5.02 1.01 0.50 -0.96 120.40 129.86 3igq s VAL 94 Ca -0.01 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 3igq s VAL 94 Cb -0.03 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 34.12 3igq s VAL 94 CO -0.00 0.53 1.10 -0.44 0.00 0.00 0.00 175.10 176.28 3igq s SER 95 N 0.30 5.24 0.39 3.32 0.01 -0.21 -1.63 113.70 121.10 3igq s SER 95 Ca -0.10 1.00 0.08 0.00 1.31 0.00 0.00 55.95 58.23 3igq s SER 95 Cb -0.16 -1.74 0.83 0.00 0.21 0.00 0.00 66.02 65.16 3igq s SER 95 CO 0.06 -1.45 1.98 -0.65 0.41 0.00 0.00 173.24 173.59 3igq h PRO 96 N -0.70 0.62 0.00 12.44 0.11 -1.81 -0.80 132.00 141.87 3igq h PRO 96 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3igq h PRO 96 Cb 1.27 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3igq h PRO 96 CO 0.64 0.41 0.00 -0.40 -0.21 0.00 0.00 178.00 178.44 3igq n ASP 97 N -4.48 0.00 0.00 -2.05 5.75 -1.26 -0.77 116.55 113.75 3igq n ASP 97 Ca 0.09 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 3igq n ASP 97 Cb 0.23 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 3igq n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3igq n GLY 98 N 0.77 0.78 3.66 6.12 0.00 -0.30 -4.70 105.19 111.52 3igq n GLY 98 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3igq n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3igq s THR 99 N -2.20 4.11 -0.13 2.61 2.01 -1.25 -0.30 115.64 120.48 3igq s THR 99 Ca 0.00 1.35 -0.15 0.00 0.31 0.00 0.00 61.69 63.20 3igq s THR 99 Cb 0.00 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 3igq s THR 99 CO 0.00 -0.11 0.35 -0.69 -0.69 0.00 0.00 174.62 173.48 3igq s VAL 100 N 3.49 5.25 -0.27 3.82 1.01 0.13 -1.05 120.40 132.79 3igq s VAL 100 Ca 0.59 0.67 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 3igq s VAL 100 Cb -0.25 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.48 3igq s VAL 100 CO 0.19 0.40 -0.03 -1.10 0.00 0.00 0.00 175.10 174.56 3igq s GLN 101 N 0.31 2.74 -0.13 2.72 -0.21 -0.13 -2.29 119.66 122.68 3igq s GLN 101 Ca 0.20 -1.05 -0.02 0.00 0.02 0.00 0.00 55.36 54.50 3igq s GLN 101 Cb -0.14 -3.08 -0.03 0.00 1.00 0.00 0.00 33.01 30.76 3igq s GLN 101 CO 0.06 -0.47 -0.05 -0.47 -2.12 0.00 0.00 175.29 172.25 3igq s TYR 102 N 1.32 3.00 -0.08 0.91 6.14 0.15 -1.12 117.35 127.67 3igq s TYR 102 Ca -0.01 -0.21 0.03 0.00 0.64 0.00 0.00 57.07 57.51 3igq s TYR 102 Cb -0.18 -1.88 0.01 0.00 0.42 0.00 0.00 41.96 40.34 3igq s TYR 102 CO -0.03 0.08 -0.15 -1.17 0.64 0.00 0.00 175.55 174.92 3igq s LEU 103 N -0.01 1.75 0.13 6.97 2.96 0.16 -1.15 118.68 129.49 3igq s LEU 103 Ca 0.00 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.60 3igq s LEU 103 Cb -0.13 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 3igq s LEU 103 CO 0.03 0.06 -0.14 -1.83 -1.32 0.00 0.00 176.35 173.15 3igq s GLU 104 N 0.63 1.04 -0.15 1.98 -1.05 -0.24 -0.62 118.70 120.29 3igq s GLU 104 Ca -0.15 -1.26 -0.05 0.00 -0.15 0.00 0.00 54.97 53.36 3igq s GLU 104 Cb -0.16 -0.92 -0.04 0.00 -0.44 0.00 0.00 34.13 32.57 3igq s GLU 104 CO 0.04 0.18 0.03 0.50 0.95 0.00 0.00 175.26 176.96 3igq s ARG 105 N -2.71 3.68 0.22 -4.83 3.00 -0.42 -1.12 118.95 116.76 3igq s ARG 105 Ca 0.10 -0.38 0.02 0.00 -1.00 0.00 0.00 55.73 54.47 3igq s ARG 105 Cb -0.05 -3.06 -0.05 0.00 0.00 0.00 0.00 34.95 31.79 3igq s ARG 105 CO 0.03 0.39 0.03 -0.59 0.00 0.00 0.00 175.30 175.16 3igq s PHE 106 N 0.01 1.42 0.02 5.12 -0.12 0.12 -1.23 117.98 123.32 3igq s PHE 106 Ca 0.04 -1.04 0.02 0.00 -0.05 0.00 0.00 56.93 55.90 3igq s PHE 106 Cb -0.12 -0.83 -0.01 0.00 -0.63 0.00 0.00 43.02 41.43 3igq s PHE 106 CO 0.01 -0.20 -0.08 0.45 -0.05 0.00 0.00 175.22 175.35 3igq s SER 107 N -3.26 0.88 -0.02 1.98 0.15 0.33 -1.84 113.70 111.93 3igq s SER 107 Ca 0.30 -0.29 -0.29 0.00 0.70 0.00 0.00 55.95 56.37 3igq s SER 107 Cb 0.07 -0.05 0.08 0.00 -1.71 0.00 0.00 66.02 64.41 3igq s SER 107 CO 0.09 -0.02 0.73 0.00 1.20 0.00 0.00 173.24 175.24 3igq s ALA 108 N -0.62 -1.76 -0.34 5.45 0.00 -1.00 -0.57 121.76 122.92 3igq s ALA 108 Ca -0.02 1.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.95 3igq s ALA 108 Cb -0.05 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 3igq s ALA 108 CO 0.00 -0.48 0.33 0.50 0.00 0.00 0.00 175.76 176.11 3igq s ARG 109 N -1.92 3.53 -0.00 0.00 3.52 -1.26 -1.23 118.95 121.59 3igq s ARG 109 Ca -0.05 -0.49 -0.21 0.00 -0.13 0.00 0.00 55.73 54.85 3igq s ARG 109 Cb -0.00 -3.81 -0.05 0.00 -1.56 0.00 0.00 34.95 29.52 3igq s ARG 109 CO 0.02 -0.51 0.60 0.08 -0.81 0.00 0.00 175.30 174.68 3igq s VAL 110 N 1.94 4.91 -0.50 7.11 1.01 -0.06 -0.75 120.40 134.06 3igq s VAL 110 Ca 0.10 1.26 -0.14 0.00 0.00 0.00 0.00 61.98 63.20 3igq s VAL 110 Cb -0.17 -3.94 0.11 0.00 0.00 0.00 0.00 36.38 32.39 3igq s VAL 110 CO 0.11 0.41 0.42 -0.76 0.00 0.00 0.00 175.10 175.29 3igq s LEU 111 N -0.17 5.88 -0.40 3.92 1.43 0.28 -2.24 118.68 127.38 3igq s LEU 111 Ca 0.31 -1.71 0.07 0.00 -1.03 0.00 0.00 54.13 51.77 3igq s LEU 111 Cb -0.18 -2.14 0.18 0.00 0.03 0.00 0.00 46.19 44.08 3igq s LEU 111 CO 0.17 -0.75 0.60 -0.55 0.23 0.00 0.00 176.35 176.05 3igq s SER 112 N 3.07 -1.23 0.35 2.29 0.15 -0.99 -4.80 113.70 112.54 3igq s SER 112 Ca 0.04 -0.84 -0.29 0.00 0.70 0.00 0.00 55.95 55.56 3igq s SER 112 Cb -0.27 1.81 -0.11 0.00 -1.71 0.00 0.00 66.02 65.73 3igq s SER 112 CO 0.03 -0.18 1.50 -2.84 1.20 0.00 0.00 173.24 172.94 3igq s PRO 113 N 1.83 4.14 0.03 5.44 0.02 -1.06 -4.64 135.00 140.75 3igq s PRO 113 Ca 0.16 2.54 -0.30 0.00 0.02 0.00 0.00 61.00 63.41 3igq s PRO 113 Cb -0.06 -2.99 -0.05 0.00 0.02 0.00 0.00 34.50 31.42 3igq s PRO 113 CO -0.07 -0.53 1.15 -0.51 -0.33 0.00 0.00 177.00 176.71 3igq s LEU 114 N -1.64 4.35 0.00 -5.54 1.02 0.58 -4.98 118.68 112.48 3igq s LEU 114 Ca 0.55 1.91 0.00 0.00 0.02 0.00 0.00 54.13 56.61 3igq s LEU 114 Cb -0.46 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 42.18 3igq s LEU 114 CO 0.58 -0.44 0.00 -0.67 0.02 0.00 0.00 176.35 175.84 3igq n ASP 115 N 4.13 0.00 0.00 2.29 -0.08 -1.26 -4.86 116.55 116.77 3igq n ASP 115 Ca 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 3igq n ASP 115 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 3igq n ASP 115 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3igq n SER 121 N 0.00 0.00 0.01 1.67 3.41 -1.26 -5.16 113.62 112.28 3igq n SER 121 Ca 0.00 -0.24 0.11 0.00 -0.26 0.00 0.00 58.87 58.48 3igq n SER 121 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 3igq n SER 121 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3igq n ASP 122 N 0.00 0.71 -3.91 4.04 9.92 -1.26 -4.90 116.55 121.15 3igq n ASP 122 Ca 0.00 -0.52 -0.24 0.00 -0.53 0.00 0.00 54.79 53.50 3igq n ASP 122 Cb 0.08 0.65 -0.17 0.00 -0.64 0.00 0.00 41.12 41.05 3igq n ASP 122 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3igq s SER 123 N -3.20 1.65 0.18 -2.24 0.15 -1.26 -1.44 113.70 107.54 3igq s SER 123 Ca 0.08 -0.22 -0.14 0.00 0.70 0.00 0.00 55.95 56.37 3igq s SER 123 Cb 0.16 -0.67 0.02 0.00 -1.71 0.00 0.00 66.02 63.82 3igq s SER 123 CO 0.79 -0.07 0.43 0.00 1.20 0.00 0.00 173.24 175.58 3igq s GLN 124 N 1.26 1.28 -0.20 5.44 -2.07 -0.03 -5.00 119.66 120.34 3igq s GLN 124 Ca -0.05 -0.97 0.01 0.00 -1.82 0.00 0.00 55.36 52.54 3igq s GLN 124 Cb -0.14 0.47 0.03 0.00 -1.09 0.00 0.00 33.01 32.28 3igq s GLN 124 CO -0.02 -0.52 -0.17 0.99 -1.32 0.00 0.00 175.29 174.24 3igq s THR 125 N -3.90 2.14 0.26 3.63 2.01 -1.26 -0.40 115.64 118.12 3igq s THR 125 Ca 0.11 -1.06 -0.00 0.00 0.31 0.00 0.00 61.69 61.05 3igq s THR 125 Cb 0.01 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 3igq s THR 125 CO -0.02 0.42 0.45 -0.76 -0.69 0.00 0.00 174.62 174.02 3igq s LEU 126 N 1.26 4.15 0.03 4.42 1.43 0.10 -4.92 118.68 125.16 3igq s LEU 126 Ca 0.02 0.42 0.05 0.00 -1.03 0.00 0.00 54.13 53.60 3igq s LEU 126 Cb -0.14 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.83 3igq s LEU 126 CO -0.11 -0.14 -0.15 -1.00 0.23 0.00 0.00 176.35 175.18 3igq s HIS 127 N -2.04 1.34 -0.17 0.29 3.76 -1.26 -0.55 115.29 116.67 3igq s HIS 127 Ca 0.39 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 3igq s HIS 127 Cb -0.10 -0.81 0.03 0.00 1.11 0.00 0.00 32.58 32.81 3igq s HIS 127 CO 0.31 0.04 -0.11 0.42 -0.85 0.00 0.00 174.74 174.55 3igq s ILE 128 N -0.76 1.51 -0.16 0.60 1.01 -0.18 -4.75 121.20 118.47 3igq s ILE 128 Ca 0.03 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 3igq s ILE 128 Cb -0.08 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 3igq s ILE 128 CO 0.01 0.28 0.21 -0.31 0.00 0.00 0.00 174.94 175.13 3igq s TYR 129 N 1.48 3.49 -0.07 3.97 2.02 -1.26 -1.08 117.35 125.90 3igq s TYR 129 Ca 0.02 0.51 0.06 0.00 -0.37 0.00 0.00 57.07 57.29 3igq s TYR 129 Cb -0.15 -2.20 -0.01 0.00 -0.40 0.00 0.00 41.96 39.21 3igq s TYR 129 CO -0.09 0.38 -0.25 -0.51 -1.57 0.00 0.00 175.55 173.51 3igq s LEU 130 N 0.04 2.07 0.39 -1.29 1.02 -0.44 0.38 118.68 120.85 3igq s LEU 130 Ca 0.14 -0.52 0.04 0.00 0.02 0.00 0.00 54.13 53.81 3igq s LEU 130 Cb -0.12 -1.37 -0.05 0.00 0.02 0.00 0.00 46.19 44.66 3igq s LEU 130 CO 0.02 0.22 0.06 0.27 0.02 0.00 0.00 176.35 176.94 3igq s ILE 131 N -0.04 1.22 0.02 -0.59 -4.36 -0.46 -0.13 121.20 116.87 3igq s ILE 131 Ca -0.07 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.37 3igq s ILE 131 Cb -0.15 -2.65 -0.02 0.00 1.25 0.00 0.00 42.46 40.90 3igq s ILE 131 CO 0.05 0.00 -0.15 0.54 0.24 0.00 0.00 174.94 175.62 3igq s VAL 132 N -3.10 1.21 0.32 8.37 0.11 -1.22 -1.32 120.40 124.78 3igq s VAL 132 Ca 0.29 -0.91 -0.28 0.00 -2.93 0.00 0.00 61.98 58.15 3igq s VAL 132 Cb 0.07 -1.06 -0.10 0.00 -1.53 0.00 0.00 36.38 33.76 3igq s VAL 132 CO 0.14 0.14 1.20 -0.13 -3.33 0.00 0.00 175.10 173.12 3igq s ARG 133 N -0.88 4.42 0.55 1.54 0.52 -0.16 -4.43 118.95 120.50 3igq s ARG 133 Ca 0.04 1.99 -0.18 0.00 -0.52 0.00 0.00 55.73 57.05 3igq s ARG 133 Cb -0.07 -3.05 -0.05 0.00 0.52 0.00 0.00 34.95 32.30 3igq s ARG 133 CO 0.01 -0.05 1.09 -1.12 0.02 0.00 0.00 175.30 175.24 3igq s SER 134 N -0.76 5.83 0.12 0.23 0.01 -1.26 -4.76 113.70 113.12 3igq s SER 134 Ca 0.49 2.02 0.06 0.00 1.31 0.00 0.00 55.95 59.82 3igq s SER 134 Cb -0.35 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.28 3igq s SER 134 CO 0.46 -1.13 -0.14 0.68 0.41 0.00 0.00 173.24 173.51 3igq s VAL 135 N -2.02 1.31 -0.20 3.43 -7.23 -1.26 -5.09 120.40 109.34 3igq s VAL 135 Ca 0.69 -1.69 0.20 0.00 -1.81 0.00 0.00 61.98 59.37 3igq s VAL 135 Cb -0.20 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 3igq s VAL 135 CO 0.28 -0.41 1.03 -2.24 -0.31 0.00 0.00 175.10 173.46 3igq h ASP 136 N 3.57 0.00 1.66 4.85 3.04 -2.04 -3.32 116.42 124.18 3igq h ASP 136 Ca -0.40 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.39 3igq h ASP 136 Cb 1.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 3igq h ASP 136 CO 0.50 0.27 -0.05 0.71 -2.04 0.00 0.00 179.24 178.63 3igq h THR 137 N 0.00 0.00 -3.96 1.15 1.35 -1.98 -3.46 112.91 106.01 3igq h THR 137 Ca -0.07 -0.71 -0.25 0.00 -0.55 0.00 0.00 66.41 64.83 3igq h THR 137 Cb 1.27 1.68 -0.22 0.00 -1.73 0.00 0.00 68.15 69.15 3igq h THR 137 CO 0.02 0.00 -0.73 -0.13 -0.25 0.00 0.00 175.52 174.44 3igq s ARG 138 N -3.16 0.45 -0.36 4.72 1.81 -1.25 -4.93 118.95 116.24 3igq s ARG 138 Ca 0.09 -0.66 -0.24 0.00 -1.72 0.00 0.00 55.73 53.20 3igq s ARG 138 Cb 0.09 -0.20 0.01 0.00 -0.45 0.00 0.00 34.95 34.40 3igq s ARG 138 CO 0.64 0.03 0.83 1.21 -0.68 0.00 0.00 175.30 177.33 3igq s ASN 139 N -1.39 6.60 -0.15 0.23 3.04 -1.26 -4.33 114.94 117.69 3igq s ASN 139 Ca -0.10 0.46 -0.17 0.00 0.04 0.00 0.00 52.86 53.09 3igq s ASN 139 Cb -0.09 -2.42 -0.04 0.00 -1.54 0.00 0.00 41.25 37.16 3igq s ASN 139 CO 0.00 -0.76 0.41 -0.63 -3.04 0.00 0.00 177.10 173.09 3igq s ILE 140 N 3.19 5.22 -0.12 -5.21 1.01 -1.26 -1.21 121.20 122.82 3igq s ILE 140 Ca 0.33 0.80 0.02 0.00 0.00 0.00 0.00 60.65 61.80 3igq s ILE 140 Cb -0.13 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.60 3igq s ILE 140 CO 0.17 0.33 -0.17 -0.69 0.00 0.00 0.00 174.94 174.58 3igq s VAL 141 N 0.72 1.63 -0.04 2.92 1.01 0.25 -4.26 120.40 122.63 3igq s VAL 141 Ca 0.22 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.25 3igq s VAL 141 Cb -0.14 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3igq s VAL 141 CO 0.08 0.47 0.69 -0.76 0.00 0.00 0.00 175.10 175.58 3igq s LEU 142 N 0.97 4.36 0.36 3.92 1.43 -1.26 -0.71 118.68 127.75 3igq s LEU 142 Ca -0.06 1.23 0.04 0.00 -1.03 0.00 0.00 54.13 54.31 3igq s LEU 142 Cb -0.15 -3.08 -0.05 0.00 0.03 0.00 0.00 46.19 42.94 3igq s LEU 142 CO -0.02 -0.06 0.07 0.00 0.23 0.00 0.00 176.35 176.57 3igq s ALA 143 N 0.49 2.61 -0.15 4.21 0.00 0.56 -4.78 121.76 124.70 3igq s ALA 143 Ca 0.37 -1.80 0.01 0.00 0.00 0.00 0.00 51.96 50.53 3igq s ALA 143 Cb -0.18 0.63 -0.00 0.00 0.00 0.00 0.00 23.12 23.56 3igq s ALA 143 CO 0.19 -0.29 -0.17 0.08 0.00 0.00 0.00 175.76 175.57 3igq s VAL 144 N -3.23 2.57 -0.61 0.00 1.01 -1.26 -1.23 120.40 117.65 3igq s VAL 144 Ca 0.32 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 3igq s VAL 144 Cb 0.07 -2.07 0.15 0.00 0.00 0.00 0.00 36.38 34.53 3igq s VAL 144 CO 0.15 0.52 0.55 -0.62 0.00 0.00 0.00 175.10 175.70 3igq s ASP 145 N 0.75 6.27 0.56 3.32 -1.08 0.07 -4.82 116.67 121.74 3igq s ASP 145 Ca -0.07 -2.06 0.37 0.00 -0.52 0.00 0.00 52.55 50.28 3igq s ASP 145 Cb -0.16 -2.18 1.95 0.00 -1.46 0.00 0.00 42.92 41.07 3igq s ASP 145 CO 0.01 -0.76 2.14 -0.07 0.52 0.00 0.00 175.17 177.00 3igq h LEU 146 N 8.52 0.00 -1.23 -1.34 3.38 -1.94 0.14 115.31 122.85 3igq h LEU 146 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3igq h LEU 146 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3igq h LEU 146 CO 0.94 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 179.14 3igq h GLU 147 N 0.00 0.00 -0.35 1.13 5.08 -1.95 -2.97 114.58 115.52 3igq h GLU 147 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3igq h GLU 147 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3igq h GLU 147 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 3igq n LYS 148 N -2.74 2.90 -3.81 2.33 4.76 0.48 -4.90 118.16 117.19 3igq n LYS 148 Ca 0.01 -2.22 -0.36 0.00 -2.87 0.00 0.00 58.31 52.86 3igq n LYS 148 Cb 0.26 -1.39 -0.13 0.00 -1.84 0.00 0.00 35.03 31.93 3igq n LYS 148 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3igq s VAL 149 N -1.35 3.92 0.00 -0.18 1.01 -1.12 -2.66 120.40 120.02 3igq s VAL 149 Ca 0.28 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3igq s VAL 149 Cb 0.17 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.69 3igq s VAL 149 CO 0.15 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3igq n GLY 150 N 4.87 1.46 3.28 4.51 0.00 -0.70 -4.97 105.19 113.63 3igq n GLY 150 Ca -0.16 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 3igq n GLY 150 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3igq s LYS 151 N -1.60 0.62 0.19 1.61 -2.85 -1.26 -0.93 119.74 115.51 3igq s LYS 151 Ca 0.00 0.14 -0.10 0.00 -1.00 0.00 0.00 55.97 55.00 3igq s LYS 151 Cb 0.00 0.28 0.11 0.00 -2.06 0.00 0.00 37.83 36.17 3igq s LYS 151 CO 0.00 -0.14 1.78 -0.97 0.10 0.00 0.00 175.35 176.11 3igq h ASN 152 N 4.45 0.90 -0.90 0.03 -0.73 -1.53 -3.47 115.58 114.33 3igq h ASN 152 Ca -0.28 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 57.75 3igq h ASN 152 Cb 1.18 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.53 3igq h ASN 152 CO 0.34 0.79 0.00 -0.90 -0.37 0.00 0.00 177.43 177.29 3igq n ASP 153 N -4.44 0.00 -0.47 1.15 5.75 -1.26 -5.06 116.55 112.22 3igq n ASP 153 Ca 0.05 -0.64 0.12 0.00 -0.01 0.00 0.00 54.79 54.31 3igq n ASP 153 Cb 0.14 0.00 0.20 0.00 -1.03 0.00 0.00 41.12 40.43 3igq n ASP 153 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3igq n ASP 154 N -1.16 1.76 -4.64 -1.12 8.00 -1.26 -4.85 116.55 113.27 3igq n ASP 154 Ca 0.00 -1.37 -0.37 0.00 0.71 0.00 0.00 54.79 53.76 3igq n ASP 154 Cb 0.00 0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 41.25 3igq n ASP 154 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3igq s VAL 155 N -2.37 5.34 0.00 2.53 1.01 -1.26 0.11 120.40 125.76 3igq s VAL 155 Ca 0.24 0.22 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 3igq s VAL 155 Cb 0.19 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.98 3igq s VAL 155 CO 0.49 0.32 0.84 0.15 0.00 0.00 0.00 175.10 176.90 3igq h PHE 156 N 7.70 -0.43 -2.33 5.22 3.57 -0.76 -3.43 116.94 126.48 3igq h PHE 156 Ca -0.37 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.18 3igq h PHE 156 Cb 1.17 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 3igq h PHE 156 CO 0.69 -0.27 0.31 1.47 -2.23 0.00 0.00 178.31 178.28 3igq n LEU 157 N -3.75 0.00 -4.65 0.59 -0.00 -1.19 -4.17 117.00 103.83 3igq n LEU 157 Ca -0.06 -1.15 -0.47 0.00 -0.00 0.00 0.00 56.01 54.34 3igq n LEU 157 Cb 0.18 1.97 -0.04 0.00 -0.00 0.00 0.00 43.42 45.53 3igq n LEU 157 CO 0.14 -0.38 1.59 0.41 -0.00 0.00 0.00 177.39 179.15 3igq n THR 158 N -0.42 0.56 0.00 1.47 -1.04 -1.26 -1.34 114.28 112.25 3igq n THR 158 Ca -0.03 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 3igq n THR 158 Cb 0.37 -2.02 0.00 0.00 -1.82 0.00 0.00 70.33 66.85 3igq n THR 158 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3igq n GLY 159 N 4.81 0.82 2.81 3.41 0.00 -1.26 -5.07 105.19 110.72 3igq n GLY 159 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 3igq n GLY 159 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3igq s TRP 160 N -2.13 -0.01 0.31 1.61 0.52 -0.45 -1.51 118.94 117.29 3igq s TRP 160 Ca 0.00 0.19 -0.07 0.00 0.02 0.00 0.00 56.10 56.23 3igq s TRP 160 Cb 0.00 -0.18 -0.06 0.00 -1.15 0.00 0.00 33.47 32.08 3igq s TRP 160 CO 0.00 -0.10 0.62 -0.51 0.02 0.00 0.00 176.95 176.98 3igq s ASP 161 N 0.98 6.50 -0.21 2.95 1.01 0.83 -0.14 116.67 128.59 3igq s ASP 161 Ca -0.08 0.87 -0.15 0.00 0.71 0.00 0.00 52.55 53.90 3igq s ASP 161 Cb -0.11 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.57 3igq s ASP 161 CO -0.03 -0.23 0.37 -0.63 0.21 0.00 0.00 175.17 174.85 3igq s ILE 162 N -2.12 5.21 -0.16 0.77 1.01 0.30 -1.62 121.20 124.59 3igq s ILE 162 Ca 0.47 0.64 -0.25 0.00 0.00 0.00 0.00 60.65 61.51 3igq s ILE 162 Cb -0.11 -3.70 -0.22 0.00 0.01 0.00 0.00 42.46 38.44 3igq s ILE 162 CO 0.29 0.25 0.52 -0.33 0.00 0.00 0.00 174.94 175.67 3igq h GLU 163 N 7.45 0.00 -3.06 2.79 4.39 -0.82 -3.45 114.58 121.88 3igq h GLU 163 Ca -0.36 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.29 3igq h GLU 163 Cb 1.16 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.67 3igq h GLU 163 CO 0.70 0.93 0.02 -1.54 -1.16 0.00 0.00 179.01 177.96 3igq s SER 164 N -6.39 -0.37 -0.20 1.42 1.04 -1.11 -5.02 113.70 103.07 3igq s SER 164 Ca -0.21 -0.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.16 3igq s SER 164 Cb 0.00 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.68 3igq s SER 164 CO 0.61 -0.81 -0.02 0.12 0.98 0.00 0.00 173.24 174.13 3igq s PHE 165 N -3.17 1.67 0.34 5.02 5.36 -1.26 -1.06 117.98 124.89 3igq s PHE 165 Ca -0.01 -1.23 0.06 0.00 -0.96 0.00 0.00 56.93 54.79 3igq s PHE 165 Cb 0.00 -1.29 -0.03 0.00 -0.34 0.00 0.00 43.02 41.36 3igq s PHE 165 CO -0.07 -0.67 0.22 0.95 -1.46 0.00 0.00 175.22 174.19 3igq s THR 166 N 1.64 0.17 0.07 0.12 -4.23 -0.90 -4.78 115.64 107.73 3igq s THR 166 Ca -0.02 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.53 3igq s THR 166 Cb -0.17 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 3igq s THR 166 CO -0.07 0.00 -0.11 0.00 -0.54 0.00 0.00 174.62 173.89 3igq s ALA 167 N -3.43 0.97 -0.10 3.99 0.00 -1.26 0.31 121.76 122.24 3igq s ALA 167 Ca 0.36 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.37 3igq s ALA 167 Cb 0.03 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.13 3igq s ALA 167 CO 0.23 0.07 -0.14 0.08 0.00 0.00 0.00 175.76 176.00 3igq s VAL 168 N -1.51 1.42 0.22 0.00 1.01 -0.15 -4.97 120.40 116.42 3igq s VAL 168 Ca -0.03 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 3igq s VAL 168 Cb -0.09 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 3igq s VAL 168 CO 0.01 0.43 0.44 -0.69 0.00 0.00 0.00 175.10 175.29 3igq s VAL 169 N 1.01 5.13 -1.46 2.92 1.01 -1.26 -1.59 120.40 126.17 3igq s VAL 169 Ca -0.06 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 3igq s VAL 169 Cb -0.15 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3igq s VAL 169 CO -0.02 -0.18 0.19 0.29 0.00 0.00 0.00 175.10 175.39 3igq n LYS 170 N -0.59 -1.04 -1.84 2.72 5.02 -1.25 -4.88 118.16 116.29 3igq n LYS 170 Ca -0.03 0.12 -0.35 0.00 -2.02 0.00 0.00 58.31 56.03 3igq n LYS 170 Cb 0.53 -3.47 0.05 0.00 -0.02 0.00 0.00 35.03 32.12 3igq n LYS 170 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3igq s PRO 171 N -7.30 2.77 0.00 1.97 0.04 -1.25 -4.92 135.00 126.31 3igq s PRO 171 Ca 0.11 1.70 0.24 0.00 0.04 0.00 0.00 61.00 63.09 3igq s PRO 171 Cb -0.06 -1.92 0.22 0.00 0.04 0.00 0.00 34.50 32.78 3igq s PRO 171 CO 0.98 -1.34 1.23 0.00 0.04 0.00 0.00 177.00 177.91 3igq n ALA 172 N -2.00 3.52 0.17 8.56 0.00 -1.26 -3.57 120.51 125.92 3igq n ALA 172 Ca 0.13 -0.56 0.16 0.00 0.00 0.00 0.00 53.44 53.17 3igq n ALA 172 Cb 0.50 -0.90 0.60 0.00 0.00 0.00 0.00 19.45 19.65 3igq n ALA 172 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3igq h ASN 173 N 1.79 0.00 -0.63 0.00 4.21 -2.01 -3.46 115.58 115.48 3igq h ASN 173 Ca 0.00 0.00 -0.61 0.00 1.21 0.00 0.00 56.30 56.90 3igq h ASN 173 Cb 0.65 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 3igq h ASN 173 CO 0.00 0.00 0.53 2.22 -1.29 0.00 0.00 177.43 178.89 3igq n PHE 174 N -3.14 1.20 -0.05 1.19 1.16 -1.23 -4.88 117.46 111.70 3igq n PHE 174 Ca 0.05 0.78 -0.00 0.00 -1.87 0.00 0.00 57.45 56.42 3igq n PHE 174 Cb 0.75 -1.57 -0.00 0.00 -1.61 0.00 0.00 39.48 37.05 3igq n PHE 174 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3igq h ALA 175 N 3.79 0.00 -3.98 1.98 0.00 -1.94 -3.47 119.26 115.63 3igq h ALA 175 Ca -0.29 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.05 3igq h ALA 175 Cb 0.97 0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.46 3igq h ALA 175 CO 0.70 0.01 -0.84 -0.51 0.00 0.00 0.00 179.25 178.61 3igq s LEU 176 N -8.43 1.94 0.00 0.00 2.01 -1.26 -5.04 118.68 107.90 3igq s LEU 176 Ca -0.00 -0.35 0.00 0.00 0.01 0.00 0.00 54.13 53.79 3igq s LEU 176 Cb 0.00 -0.97 0.00 0.00 0.01 0.00 0.00 46.19 45.23 3igq s LEU 176 CO 0.00 0.17 0.77 -1.84 1.01 0.00 0.00 176.35 176.46 3igq n GLU 177 N 3.05 0.77 -0.00 1.70 0.00 -1.26 -2.50 120.64 122.41 3igq n GLU 177 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.02 3igq n GLU 177 Cb 0.53 -1.01 -0.04 0.00 0.00 0.00 0.00 31.44 30.92 3igq n GLU 177 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 3igq n ASP 178 N -0.49 2.78 -1.21 -1.84 3.85 -1.26 -4.28 116.55 114.10 3igq n ASP 178 Ca 0.00 -0.16 0.04 0.00 -0.71 0.00 0.00 54.79 53.96 3igq n ASP 178 Cb 0.00 1.22 0.21 0.00 -1.35 0.00 0.00 41.12 41.20 3igq n ASP 178 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3igq n ARG 179 N -1.58 2.99 -1.33 0.11 1.74 -1.04 -3.41 116.66 114.15 3igq n ARG 179 Ca -0.01 -1.62 -0.20 0.00 -0.77 0.00 0.00 57.85 55.26 3igq n ARG 179 Cb 0.15 -1.89 0.12 0.00 -1.02 0.00 0.00 32.46 29.82 3igq n ARG 179 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3igq n LEU 180 N 0.33 5.52 0.10 0.55 -0.00 -1.21 -3.76 117.00 118.53 3igq n LEU 180 Ca 0.14 -4.18 -0.06 0.00 -0.00 0.00 0.00 56.01 51.91 3igq n LEU 180 Cb 0.73 -0.66 -0.03 0.00 -0.00 0.00 0.00 43.42 43.46 3igq n LEU 180 CO 0.17 1.54 0.51 -0.08 -0.00 0.00 0.00 177.39 179.53 3igq h GLU 181 N 1.59 -0.33 -1.54 1.96 4.57 -1.82 -3.49 114.58 115.51 3igq h GLU 181 Ca 0.40 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.68 3igq h GLU 181 Cb 1.52 0.08 -0.26 0.00 -0.16 0.00 0.00 28.75 29.93 3igq h GLU 181 CO 0.87 -0.22 0.52 0.45 -1.18 0.00 0.00 179.01 179.45 3igq s SER 182 N -2.91 -0.39 -0.03 1.04 0.15 -1.25 -4.73 113.70 105.58 3igq s SER 182 Ca -0.06 0.65 0.03 0.00 0.70 0.00 0.00 55.95 57.28 3igq s SER 182 Cb 0.01 0.63 -0.00 0.00 -1.71 0.00 0.00 66.02 64.95 3igq s SER 182 CO 0.20 -0.20 -0.13 -0.75 1.20 0.00 0.00 173.24 173.55 3igq s LYS 183 N -0.24 1.34 0.05 5.44 2.20 -1.26 -3.45 119.74 123.82 3igq s LYS 183 Ca 0.02 -0.45 0.06 0.00 -0.36 0.00 0.00 55.97 55.24 3igq s LYS 183 Cb -0.03 -1.21 -0.04 0.00 -1.51 0.00 0.00 37.83 35.04 3igq s LYS 183 CO -0.04 0.18 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.50 3igq s LEU 184 N 0.10 2.92 -0.32 5.43 1.43 0.82 -3.87 118.68 125.19 3igq s LEU 184 Ca -0.03 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 3igq s LEU 184 Cb -0.10 -1.71 0.09 0.00 0.03 0.00 0.00 46.19 44.50 3igq s LEU 184 CO 0.01 0.23 0.04 -0.62 0.23 0.00 0.00 176.35 176.24 3igq s ASP 185 N -1.71 4.49 -0.07 2.29 2.15 -0.62 -1.33 116.67 121.87 3igq s ASP 185 Ca 0.18 -1.89 -0.28 0.00 0.43 0.00 0.00 52.55 50.98 3igq s ASP 185 Cb -0.11 -1.41 -0.02 0.00 -0.30 0.00 0.00 42.92 41.08 3igq s ASP 185 CO 0.09 -0.36 0.94 -0.31 -0.17 0.00 0.00 175.17 175.36 3igq s TYR 186 N 1.12 3.57 -0.19 -5.34 1.51 -0.24 -0.98 117.35 116.79 3igq s TYR 186 Ca 0.08 1.55 -0.01 0.00 -1.01 0.00 0.00 57.07 57.68 3igq s TYR 186 Cb -0.19 -3.09 0.01 0.00 -0.11 0.00 0.00 41.96 38.58 3igq s TYR 186 CO -0.11 -0.10 -0.14 -0.65 -1.11 0.00 0.00 175.55 173.43 3igq s GLN 187 N 1.48 3.13 -0.38 -0.62 -0.21 0.15 -1.01 119.66 122.20 3igq s GLN 187 Ca 0.47 -0.76 -0.10 0.00 0.02 0.00 0.00 55.36 54.99 3igq s GLN 187 Cb -0.19 -2.72 0.04 0.00 1.00 0.00 0.00 33.01 31.14 3igq s GLN 187 CO 0.21 -0.20 0.21 -1.17 -2.12 0.00 0.00 175.29 172.22 3igq s LEU 188 N 1.35 4.79 -0.17 2.90 2.96 0.29 -2.11 118.68 128.68 3igq s LEU 188 Ca 0.05 -1.14 -0.17 0.00 -0.22 0.00 0.00 54.13 52.65 3igq s LEU 188 Cb -0.13 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 3igq s LEU 188 CO -0.10 -0.42 0.45 -0.60 -1.32 0.00 0.00 176.35 174.37 3igq s ARG 189 N 1.51 4.23 0.11 1.98 3.52 -0.22 0.03 118.95 130.10 3igq s ARG 189 Ca 0.02 0.33 0.04 0.00 -0.13 0.00 0.00 55.73 55.99 3igq s ARG 189 Cb -0.20 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 3igq s ARG 189 CO 0.05 0.00 -0.12 0.96 -0.81 0.00 0.00 175.30 175.39 3igq s ILE 190 N 1.16 1.08 0.03 4.11 -4.36 0.46 -0.14 121.20 123.54 3igq s ILE 190 Ca 0.22 -1.66 -0.01 0.00 -0.26 0.00 0.00 60.65 58.94 3igq s ILE 190 Cb -0.15 -1.41 -0.02 0.00 1.25 0.00 0.00 42.46 42.12 3igq s ILE 190 CO 0.09 -0.50 -0.01 -0.94 0.24 0.00 0.00 174.94 173.81 3igq s SER 191 N -2.44 0.26 0.24 4.36 1.04 -0.64 -0.85 113.70 115.68 3igq s SER 191 Ca 0.07 -0.57 -0.31 0.00 0.48 0.00 0.00 55.95 55.61 3igq s SER 191 Cb -0.04 0.13 -0.13 0.00 0.10 0.00 0.00 66.02 66.09 3igq s SER 191 CO 0.01 -0.37 1.55 0.54 0.98 0.00 0.00 173.24 175.95 3igq n ARG 192 N 1.28 2.42 0.00 4.02 1.74 -0.52 -0.12 116.66 125.48 3igq n ARG 192 Ca -0.22 0.87 0.07 0.00 -0.77 0.00 0.00 57.85 57.80 3igq n ARG 192 Cb 0.56 -2.62 0.42 0.00 -1.02 0.00 0.00 32.46 29.81 3igq n ARG 192 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15