#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3igq n VAL 5 N 0.00 1.41 -2.26 2.03 0.31 -1.26 -2.75 118.33 115.81 3igq n VAL 5 Ca 0.00 -1.16 -0.26 0.00 -0.01 0.00 0.00 64.34 62.91 3igq n VAL 5 Cb 0.00 0.30 0.05 0.00 -0.91 0.00 0.00 33.84 33.28 3igq n VAL 5 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3igq s SER 6 N -1.08 5.10 0.69 4.52 1.04 -1.26 -4.68 113.70 118.04 3igq s SER 6 Ca 0.41 0.55 -0.16 0.00 0.48 0.00 0.00 55.95 57.23 3igq s SER 6 Cb 0.25 -1.33 0.02 0.00 0.10 0.00 0.00 66.02 65.06 3igq s SER 6 CO 0.22 -1.40 1.21 -2.84 0.98 0.00 0.00 173.24 171.41 3igq s PRO 7 N -5.16 2.40 0.25 4.02 0.02 -1.26 -4.58 135.00 130.68 3igq s PRO 7 Ca 0.58 1.77 -0.30 0.00 0.02 0.00 0.00 61.00 63.07 3igq s PRO 7 Cb -0.11 -1.86 -0.10 0.00 0.02 0.00 0.00 34.50 32.45 3igq s PRO 7 CO 0.45 -1.64 1.48 -1.25 -0.33 0.00 0.00 177.00 175.71 3igq s PRO 8 N -3.77 4.24 0.37 5.54 0.04 -1.26 -4.92 135.00 135.24 3igq s PRO 8 Ca 0.75 2.35 -0.28 0.00 0.04 0.00 0.00 61.00 63.86 3igq s PRO 8 Cb -0.29 -3.10 -0.11 0.00 0.04 0.00 0.00 34.50 31.03 3igq s PRO 8 CO 0.42 -0.47 1.44 -0.35 0.04 0.00 0.00 177.00 178.08 3igq n PRO 9 N 2.50 2.55 -1.31 0.56 -0.04 -1.26 -4.88 135.00 133.11 3igq n PRO 9 Ca 0.08 0.90 -0.44 0.00 -0.04 0.00 0.00 63.50 64.00 3igq n PRO 9 Cb 0.40 -2.59 -0.02 0.00 -0.04 0.00 0.00 33.50 31.25 3igq n PRO 9 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3igq n PRO 10 N 0.48 0.00 -4.68 0.54 -0.02 -1.26 -4.86 135.00 125.19 3igq n PRO 10 Ca 0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.16 3igq n PRO 10 Cb 0.38 -0.97 -0.12 0.00 -0.02 0.00 0.00 33.50 32.77 3igq n PRO 10 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3igq s ILE 11 N -1.31 3.56 0.22 4.25 1.01 -1.26 -5.07 121.20 122.60 3igq s ILE 11 Ca 0.60 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 3igq s ILE 11 Cb -0.76 -2.44 -0.09 0.00 0.01 0.00 0.00 42.46 39.17 3igq s ILE 11 CO 0.58 0.59 1.39 0.00 0.00 0.00 0.00 174.94 177.50 3igq s ALA 12 N -0.80 3.59 0.00 9.38 0.00 -1.26 -3.25 121.76 129.42 3igq s ALA 12 Ca 0.12 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.31 3igq s ALA 12 Cb -0.11 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3igq s ALA 12 CO 0.01 -0.65 0.00 -3.47 0.00 0.00 0.00 175.76 171.65 3igq n ASP 13 N 2.60 -0.21 -3.85 0.00 2.03 -1.26 -5.02 116.55 110.84 3igq n ASP 13 Ca 0.07 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.26 3igq n ASP 13 Cb 0.41 -0.04 -0.12 0.00 -0.72 0.00 0.00 41.12 40.66 3igq n ASP 13 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 3igq s GLU 14 N -0.37 0.20 0.79 -0.67 -1.05 -1.20 -5.16 118.70 111.24 3igq s GLU 14 Ca 0.00 -0.00 -0.13 0.00 -0.15 0.00 0.00 54.97 54.69 3igq s GLU 14 Cb 0.00 0.09 0.19 0.00 -0.44 0.00 0.00 34.13 33.97 3igq s GLU 14 CO 0.00 -0.03 0.92 -0.35 0.95 0.00 0.00 175.26 176.74 3igq n PRO 15 N 2.64 -1.56 -2.80 -4.83 -0.04 -1.26 -4.37 135.00 122.78 3igq n PRO 15 Ca -0.15 -1.43 -0.43 0.00 -0.04 0.00 0.00 63.50 61.45 3igq n PRO 15 Cb 0.58 -1.08 -0.02 0.00 -0.04 0.00 0.00 33.50 32.94 3igq n PRO 15 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3igq s LEU 16 N 0.00 4.54 0.08 1.53 2.96 -1.03 -4.95 118.68 121.82 3igq s LEU 16 Ca 0.54 -2.07 -0.30 0.00 -0.22 0.00 0.00 54.13 52.08 3igq s LEU 16 Cb -0.03 -2.46 -0.06 0.00 0.50 0.00 0.00 46.19 44.15 3igq s LEU 16 CO 0.39 -1.14 1.08 -0.89 -1.32 0.00 0.00 176.35 174.48 3igq s THR 17 N 3.24 4.27 -0.26 3.68 2.01 -1.26 -1.20 115.64 126.12 3igq s THR 17 Ca 0.40 1.74 0.01 0.00 0.31 0.00 0.00 61.69 64.14 3igq s THR 17 Cb -0.02 -4.11 0.05 0.00 0.01 0.00 0.00 72.50 68.42 3igq s THR 17 CO -0.07 0.20 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.29 3igq s VAL 18 N 0.55 2.50 0.10 3.82 1.01 0.56 -4.44 120.40 124.51 3igq s VAL 18 Ca 0.53 -1.43 -0.25 0.00 0.00 0.00 0.00 61.98 60.83 3igq s VAL 18 Cb -0.26 -2.40 -0.07 0.00 0.00 0.00 0.00 36.38 33.65 3igq s VAL 18 CO 0.30 0.02 0.76 0.20 0.00 0.00 0.00 175.10 176.39 3igq s ASN 19 N 1.19 7.29 0.13 3.32 0.01 -0.15 -0.42 114.94 126.31 3igq s ASN 19 Ca -0.06 1.53 0.06 0.00 -0.71 0.00 0.00 52.86 53.68 3igq s ASN 19 Cb -0.19 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 38.95 3igq s ASN 19 CO -0.04 0.11 -0.13 0.42 -1.51 0.00 0.00 177.10 175.95 3igq s THR 20 N -0.59 1.30 0.01 1.60 -4.23 -0.15 -0.30 115.64 113.28 3igq s THR 20 Ca 0.37 -1.80 -0.19 0.00 -1.18 0.00 0.00 61.69 58.89 3igq s THR 20 Cb -0.22 -1.60 0.04 0.00 1.34 0.00 0.00 72.50 72.06 3igq s THR 20 CO 0.24 -0.49 0.42 -0.83 -0.54 0.00 0.00 174.62 173.42 3igq s GLY 21 N -2.62 -0.28 -0.07 3.99 0.00 -0.67 -0.99 107.32 106.68 3igq s GLY 21 Ca 0.11 0.47 0.02 0.00 0.00 0.00 0.00 44.72 45.31 3igq s GLY 21 CO 0.03 0.21 -0.10 -0.42 0.00 0.00 0.00 173.10 172.82 3igq s ILE 22 N -1.92 1.00 -0.27 0.90 1.01 -1.03 -1.21 121.20 119.68 3igq s ILE 22 Ca -0.09 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 3igq s ILE 22 Cb -0.02 -0.95 0.03 0.00 0.01 0.00 0.00 42.46 41.53 3igq s ILE 22 CO 0.02 0.33 -0.01 -0.47 0.00 0.00 0.00 174.94 174.81 3igq s TYR 23 N 0.91 3.12 -0.02 3.97 6.14 -0.04 -1.86 117.35 129.57 3igq s TYR 23 Ca -0.10 -1.46 -0.30 0.00 0.64 0.00 0.00 57.07 55.85 3igq s TYR 23 Cb -0.15 -2.12 -0.03 0.00 0.42 0.00 0.00 41.96 40.08 3igq s TYR 23 CO 0.01 -0.70 1.09 -0.51 0.64 0.00 0.00 175.55 176.08 3igq s LEU 24 N 1.36 4.32 -0.22 6.97 1.43 -0.22 -1.03 118.68 131.29 3igq s LEU 24 Ca -0.00 1.76 -0.12 0.00 -1.03 0.00 0.00 54.13 54.73 3igq s LEU 24 Cb -0.17 -3.57 -0.18 0.00 0.03 0.00 0.00 46.19 42.30 3igq s LEU 24 CO -0.02 -0.43 0.01 -0.38 0.23 0.00 0.00 176.35 175.76 3igq n ILE 25 N 4.21 1.58 -3.64 -0.59 5.41 0.33 -0.95 119.36 125.71 3igq n ILE 25 Ca 0.08 -0.36 -0.14 0.00 1.00 0.00 0.00 62.75 63.34 3igq n ILE 25 Cb 0.48 -1.83 -0.07 0.00 -0.71 0.00 0.00 39.64 37.51 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 -2.47 0.81 -0.02 0.38 2.56 -0.79 -4.69 118.70 114.48 3igq s GLU 26 Ca -0.31 0.99 0.03 0.00 0.00 0.00 0.00 54.97 55.68 3igq s GLU 26 Cb 0.09 0.38 -0.03 0.00 2.00 0.00 0.00 34.13 36.57 3igq s GLU 26 CO 0.60 -0.10 -0.08 0.00 -0.56 0.00 0.00 175.26 175.12 3igq s TYR 28 N -0.92 -0.28 -0.96 0.00 1.13 -0.70 -4.56 117.35 111.06 3igq s TYR 28 Ca 0.15 0.09 -0.03 0.00 -1.41 0.00 0.00 57.07 55.88 3igq s TYR 28 Cb -0.11 0.57 0.00 0.00 -1.10 0.00 0.00 41.96 41.32 3igq s TYR 28 CO 0.05 -0.63 0.82 0.45 -2.51 0.00 0.00 175.55 173.74 3igq n SER 29 N -0.32 -3.41 -4.66 -0.18 2.88 -1.26 -0.33 113.62 106.34 3igq n SER 29 Ca -0.08 -0.45 -0.47 0.00 -1.33 0.00 0.00 58.87 56.54 3igq n SER 29 Cb 0.61 -3.99 -0.05 0.00 -0.75 0.00 0.00 64.21 60.04 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 -3.61 2.91 -4.90 2.46 7.94 -1.26 -4.15 117.00 116.38 3igq n LEU 30 Ca -0.13 1.07 -0.29 0.00 -1.11 0.00 0.00 56.01 55.56 3igq n LEU 30 Cb 0.59 -1.38 0.13 0.00 0.53 0.00 0.00 43.42 43.30 3igq n LEU 30 CO 0.48 -0.37 0.82 1.51 -1.11 0.00 0.00 177.39 178.71 3igq s ASP 31 N 1.30 3.89 0.59 1.96 1.47 -0.64 -4.89 116.67 120.36 3igq s ASP 31 Ca 0.82 0.60 0.35 0.00 1.18 0.00 0.00 52.55 55.49 3igq s ASP 31 Cb -0.73 -0.92 1.88 0.00 -0.34 0.00 0.00 42.92 42.81 3igq s ASP 31 CO 0.41 -2.28 2.21 0.44 0.68 0.00 0.00 175.17 176.64 3igq h ASP 32 N -1.32 0.00 -0.08 2.11 3.32 -1.93 -0.56 116.42 117.95 3igq h ASP 32 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3igq h ASP 32 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3igq h ASP 32 CO 0.55 0.04 0.00 0.29 -1.72 0.00 0.00 179.24 178.39 3igq n LYS 33 N -3.42 2.17 -3.68 3.56 5.02 -1.26 -4.95 118.16 115.60 3igq n LYS 33 Ca -0.02 -1.71 -0.25 0.00 -2.02 0.00 0.00 58.31 54.31 3igq n LYS 33 Cb 0.15 -1.47 0.06 0.00 -0.02 0.00 0.00 35.03 33.76 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 1.04 -1.41 -0.09 7.82 0.00 -0.22 -4.86 120.51 122.79 3igq n ALA 34 Ca 0.16 0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.77 3igq n ALA 34 Cb 0.53 -4.74 -0.13 0.00 0.00 0.00 0.00 19.45 15.11 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 -4.80 1.02 -3.96 0.00 1.02 -1.26 -0.46 120.64 112.21 3igq n GLU 35 Ca -0.03 0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.05 3igq n GLU 35 Cb 0.57 -1.45 -0.09 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 -2.43 0.17 0.07 2.62 -4.23 -1.26 -2.21 115.64 108.37 3igq s THR 36 Ca -0.13 -1.36 -0.25 0.00 -1.18 0.00 0.00 61.69 58.77 3igq s THR 36 Cb 0.06 -1.27 0.06 0.00 1.34 0.00 0.00 72.50 72.69 3igq s THR 36 CO 0.67 -0.75 0.59 0.72 -0.54 0.00 0.00 174.62 175.31 3igq s PHE 37 N -3.52 -0.52 0.28 3.99 -0.71 -0.97 -1.61 117.98 114.92 3igq s PHE 37 Ca 0.03 0.57 -0.08 0.00 -1.04 0.00 0.00 56.93 56.41 3igq s PHE 37 Cb 0.04 0.44 -0.06 0.00 -1.21 0.00 0.00 43.02 42.23 3igq s PHE 37 CO -0.09 -0.72 0.59 0.15 -1.34 0.00 0.00 175.22 173.82 3igq s LYS 38 N -2.67 3.74 -0.04 1.99 1.02 0.55 -0.70 119.74 123.64 3igq s LYS 38 Ca -0.04 0.22 0.02 0.00 0.02 0.00 0.00 55.97 56.19 3igq s LYS 38 Cb -0.01 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 3igq s LYS 38 CO -0.03 0.22 -0.10 0.08 -0.92 0.00 0.00 175.35 174.59 3igq s VAL 39 N -2.01 0.88 -0.16 3.17 1.01 0.13 -1.72 120.40 121.70 3igq s VAL 39 Ca 0.47 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 3igq s VAL 39 Cb -0.11 -0.80 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 3igq s VAL 39 CO 0.26 0.28 -0.14 0.21 0.00 0.00 0.00 175.10 175.71 3igq s ASN 40 N 0.37 3.80 0.27 3.32 3.84 0.13 -1.95 114.94 124.73 3igq s ASN 40 Ca -0.07 -0.43 -0.17 0.00 0.21 0.00 0.00 52.86 52.40 3igq s ASN 40 Cb -0.11 -1.59 0.01 0.00 -0.55 0.00 0.00 41.25 39.01 3igq s ASN 40 CO 0.01 0.09 0.63 0.00 -2.79 0.00 0.00 177.10 175.04 3igq s ALA 41 N 0.80 -0.78 -0.07 1.71 0.00 -0.80 -0.52 121.76 122.11 3igq s ALA 41 Ca -0.05 -0.58 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 3igq s ALA 41 Cb -0.15 0.93 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 3igq s ALA 41 CO 0.00 -0.96 0.14 -0.06 0.00 0.00 0.00 175.76 174.88 3igq s PHE 42 N -3.86 3.53 -0.17 0.00 0.08 -0.20 -0.27 117.98 117.09 3igq s PHE 42 Ca 0.16 0.43 0.00 0.00 0.12 0.00 0.00 56.93 57.64 3igq s PHE 42 Cb -0.04 -1.88 0.01 0.00 -0.57 0.00 0.00 43.02 40.54 3igq s PHE 42 CO 0.08 0.68 -0.16 -1.17 -0.10 0.00 0.00 175.22 174.55 3igq s LEU 43 N -1.38 2.36 -0.11 -0.37 2.96 -0.38 -0.86 118.68 120.91 3igq s LEU 43 Ca 0.20 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.52 3igq s LEU 43 Cb -0.12 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 3igq s LEU 43 CO 0.10 0.04 0.07 -0.44 -1.32 0.00 0.00 176.35 174.80 3igq s SER 44 N 1.06 5.81 0.03 3.68 0.01 -0.35 -1.10 113.70 122.85 3igq s SER 44 Ca -0.01 0.29 0.03 0.00 1.31 0.00 0.00 55.95 57.58 3igq s SER 44 Cb -0.14 -1.79 -0.02 0.00 0.21 0.00 0.00 66.02 64.28 3igq s SER 44 CO -0.05 0.38 -0.09 -0.76 0.41 0.00 0.00 173.24 173.13 3igq s LEU 45 N -0.87 2.18 -0.03 2.44 1.43 0.04 -1.67 118.68 122.20 3igq s LEU 45 Ca 0.13 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3igq s LEU 45 Cb -0.12 -0.32 0.02 0.00 0.03 0.00 0.00 46.19 45.80 3igq s LEU 45 CO 0.03 -0.08 0.07 -0.55 0.23 0.00 0.00 176.35 176.05 3igq s SER 46 N -1.17 -0.05 0.21 2.29 0.15 0.59 0.30 113.70 116.02 3igq s SER 46 Ca -0.04 0.14 -0.23 0.00 0.70 0.00 0.00 55.95 56.52 3igq s SER 46 Cb -0.08 0.10 0.05 0.00 -1.71 0.00 0.00 66.02 64.38 3igq s SER 46 CO 0.01 -0.06 0.73 -1.66 1.20 0.00 0.00 173.24 173.46 3igq s TRP 47 N 0.40 -0.29 -0.09 3.44 -2.14 -0.95 -0.98 118.94 118.34 3igq s TRP 47 Ca -0.03 -0.06 -0.12 0.00 2.66 0.00 0.00 56.10 58.54 3igq s TRP 47 Cb -0.04 0.65 -0.05 0.00 -3.10 0.00 0.00 33.47 30.92 3igq s TRP 47 CO -0.01 -1.03 0.29 0.21 -2.66 0.00 0.00 176.95 173.75 3igq s LYS 48 N -3.73 3.89 -0.29 3.25 2.47 -1.26 -0.27 119.74 123.81 3igq s LYS 48 Ca 0.08 0.15 -0.03 0.00 -1.56 0.00 0.00 55.97 54.62 3igq s LYS 48 Cb -0.04 -3.28 0.10 0.00 -1.46 0.00 0.00 37.83 33.15 3igq s LYS 48 CO -0.00 0.56 0.11 0.34 0.16 0.00 0.00 175.35 176.52 3igq s ASP 49 N -0.55 3.71 0.49 1.43 -1.08 0.65 -4.85 116.67 116.48 3igq s ASP 49 Ca 0.19 -1.42 0.33 0.00 -0.52 0.00 0.00 52.55 51.13 3igq s ASP 49 Cb -0.14 -0.59 1.54 0.00 -1.46 0.00 0.00 42.92 42.26 3igq s ASP 49 CO 0.07 -0.42 1.99 0.08 0.52 0.00 0.00 175.17 177.41 3igq h ARG 50 N 8.26 0.00 0.00 4.34 0.11 -1.86 -0.08 114.38 125.14 3igq h ARG 50 Ca -0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.91 3igq h ARG 50 Cb 1.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.10 3igq h ARG 50 CO 0.45 0.00 0.00 0.54 0.10 0.00 0.00 179.97 181.06 3igq n ARG 51 N -2.82 0.18 0.00 0.08 1.74 -1.26 -2.21 116.66 112.38 3igq n ARG 51 Ca -0.00 0.37 0.09 0.00 -0.77 0.00 0.00 57.85 57.53 3igq n ARG 51 Cb 0.20 -1.82 -0.02 0.00 -1.02 0.00 0.00 32.46 29.80 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 -2.16 1.64 -4.58 0.55 4.77 -0.05 -4.98 117.00 112.19 3igq n LEU 52 Ca 0.03 -0.73 -0.41 0.00 -0.03 0.00 0.00 56.01 54.87 3igq n LEU 52 Cb 0.26 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 3igq n LEU 52 CO 0.21 0.32 0.49 0.00 -1.33 0.00 0.00 177.39 177.08 3igq n ALA 53 N -0.27 -0.15 -2.75 -1.18 0.00 -0.94 -4.54 120.51 110.67 3igq n ALA 53 Ca 0.07 0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.63 3igq n ALA 53 Cb 0.37 -2.02 -0.07 0.00 0.00 0.00 0.00 19.45 17.73 3igq n ALA 53 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3igq s PHE 54 N -1.31 0.01 -0.36 0.00 -0.71 -0.43 -4.90 117.98 110.28 3igq s PHE 54 Ca 0.64 -0.36 -0.23 0.00 -1.04 0.00 0.00 56.93 55.93 3igq s PHE 54 Cb -0.57 0.05 0.01 0.00 -1.21 0.00 0.00 43.02 41.30 3igq s PHE 54 CO 0.57 -0.58 0.78 0.34 -1.34 0.00 0.00 175.22 174.99 3igq s ASP 55 N -2.70 6.55 0.43 1.98 -1.08 -1.26 -4.59 116.67 116.00 3igq s ASP 55 Ca 0.03 0.36 0.24 0.00 -0.52 0.00 0.00 52.55 52.65 3igq s ASP 55 Cb 0.03 -2.40 0.61 0.00 -1.46 0.00 0.00 42.92 39.70 3igq s ASP 55 CO -0.10 -0.72 1.69 1.55 0.52 0.00 0.00 175.17 178.11 3igq h PRO 56 N 8.46 0.00 0.31 4.34 0.13 -1.93 0.20 132.00 143.51 3igq h PRO 56 Ca -0.25 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 3igq h PRO 56 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3igq h PRO 56 CO 0.91 0.16 -0.15 0.28 -0.23 0.00 0.00 178.00 178.97 3igq h VAL 57 N 0.00 0.00 -0.67 1.56 2.07 -1.93 0.34 116.25 117.62 3igq h VAL 57 Ca -0.00 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 3igq h VAL 57 Cb 0.93 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3igq h VAL 57 CO 0.02 0.00 0.18 0.03 0.02 0.00 0.00 177.57 177.82 3igq h ARG 58 N -0.80 1.04 -0.00 1.57 3.08 -1.97 -3.02 114.38 114.29 3igq h ARG 58 Ca -0.04 -0.23 -0.14 0.00 0.07 0.00 0.00 59.98 59.64 3igq h ARG 58 Cb 0.32 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3igq h ARG 58 CO 0.07 0.91 -0.66 0.66 -1.07 0.00 0.00 179.97 179.89 3igq h SER 59 N 1.00 0.01 0.00 7.04 4.64 -1.06 -3.47 113.55 121.71 3igq h SER 59 Ca 0.21 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3igq h SER 59 Cb 0.33 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3igq h SER 59 CO -0.00 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 3igq n GLY 60 N 0.36 0.63 3.09 -0.77 0.00 0.10 -5.03 105.19 103.56 3igq n GLY 60 Ca -0.01 -0.77 -0.07 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.00 0.22 -0.01 1.61 -7.23 -0.13 -5.00 120.40 107.86 3igq s VAL 61 Ca 0.00 -1.78 0.06 0.00 -1.81 0.00 0.00 61.98 58.45 3igq s VAL 61 Cb 0.00 -1.49 -0.10 0.00 0.56 0.00 0.00 36.38 35.36 3igq s VAL 61 CO 0.00 -0.98 0.13 0.54 -0.31 0.00 0.00 175.10 174.48 3igq n ARG 62 N 0.14 0.36 -3.78 4.82 5.12 -1.26 -3.99 116.66 118.07 3igq n ARG 62 Ca -0.14 -0.05 -0.13 0.00 -1.93 0.00 0.00 57.85 55.60 3igq n ARG 62 Cb 0.61 -1.15 -0.13 0.00 -1.16 0.00 0.00 32.46 30.63 3igq n ARG 62 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3igq s VAL 63 N -2.42 -0.02 0.00 1.55 1.01 -1.26 -4.15 120.40 115.12 3igq s VAL 63 Ca -0.02 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.05 3igq s VAL 63 Cb 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 3igq s VAL 63 CO 0.26 0.03 -0.07 -0.54 0.00 0.00 0.00 175.10 174.78 3igq s LYS 64 N 0.55 2.55 -0.06 2.72 1.02 -0.49 -4.91 119.74 121.11 3igq s LYS 64 Ca -0.04 -0.72 -0.01 0.00 0.02 0.00 0.00 55.97 55.21 3igq s LYS 64 Cb -0.05 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.73 3igq s LYS 64 CO -0.03 0.60 0.02 0.99 -0.92 0.00 0.00 175.35 176.02 3igq s THR 65 N -1.00 4.44 0.18 2.17 2.01 -1.26 0.21 115.64 122.39 3igq s THR 65 Ca 0.17 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 61.90 3igq s THR 65 Cb -0.11 -2.92 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 3igq s THR 65 CO 0.07 0.53 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.20 3igq s TYR 66 N -0.98 1.29 -0.08 4.92 1.51 -1.01 -4.99 117.35 118.01 3igq s TYR 66 Ca 0.16 -0.93 -0.04 0.00 -1.01 0.00 0.00 57.07 55.25 3igq s TYR 66 Cb -0.12 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.98 3igq s TYR 66 CO 0.06 -0.10 0.08 -2.00 -1.11 0.00 0.00 175.55 172.48 3igq s GLU 67 N -3.86 3.21 0.54 -0.62 2.56 -1.26 -4.39 118.70 114.88 3igq s GLU 67 Ca 0.22 -0.30 0.29 0.00 0.00 0.00 0.00 54.97 55.18 3igq s GLU 67 Cb 0.05 -2.98 1.45 0.00 2.00 0.00 0.00 34.13 34.65 3igq s GLU 67 CO 0.04 0.72 1.93 -1.00 -0.56 0.00 0.00 175.26 176.39 3igq h PRO 68 N 4.82 0.00 0.00 4.30 0.13 -1.99 0.14 132.00 139.40 3igq h PRO 68 Ca -0.52 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 3igq h PRO 68 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3igq h PRO 68 CO 0.58 0.00 -0.06 0.93 -0.23 0.00 0.00 178.00 179.22 3igq h GLU 69 N 0.00 0.00 0.00 0.86 3.07 -2.01 -3.19 114.58 113.30 3igq h GLU 69 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3igq h GLU 69 Cb 1.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.35 3igq h GLU 69 CO -0.00 0.06 -0.51 0.00 -1.40 0.00 0.00 179.01 177.16 3igq n ALA 70 N -2.13 2.98 -2.22 3.43 0.00 0.51 -4.93 120.51 118.16 3igq n ALA 70 Ca 0.01 -0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 3igq n ALA 70 Cb 0.36 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 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 -3.11 0.72 0.24 0.00 -4.36 -1.21 -4.70 121.20 108.79 3igq s ILE 71 Ca 0.08 -1.97 -0.30 0.00 -0.26 0.00 0.00 60.65 58.20 3igq s ILE 71 Cb 0.15 -1.95 -0.09 0.00 1.25 0.00 0.00 42.46 41.82 3igq s ILE 71 CO 0.69 -0.63 1.17 0.86 0.24 0.00 0.00 174.94 177.28 3igq s TRP 72 N -3.62 3.44 -0.04 1.37 -0.00 -1.11 -4.82 118.94 114.16 3igq s TRP 72 Ca 0.19 1.53 0.01 0.00 -0.00 0.00 0.00 56.10 57.83 3igq s TRP 72 Cb 0.05 -3.41 0.02 0.00 -0.00 0.00 0.00 33.47 30.14 3igq s TRP 72 CO 0.01 -1.04 -0.03 0.42 -0.00 0.00 0.00 176.95 176.31 3igq s ILE 73 N -0.64 0.41 0.42 5.86 1.01 -1.26 -5.04 121.20 121.96 3igq s ILE 73 Ca 0.49 -0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.84 3igq s ILE 73 Cb -0.33 -0.47 -0.10 0.00 0.01 0.00 0.00 42.46 41.57 3igq s ILE 73 CO 0.41 0.20 1.27 -0.81 0.00 0.00 0.00 174.94 176.00 3igq n PRO 74 N 4.13 1.92 -3.23 2.79 -0.04 -1.26 -4.93 135.00 134.37 3igq n PRO 74 Ca -0.24 0.68 -0.43 0.00 -0.04 0.00 0.00 63.50 63.47 3igq n PRO 74 Cb 0.51 -2.38 -0.08 0.00 -0.04 0.00 0.00 33.50 31.51 3igq n PRO 74 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3igq s GLU 75 N -2.21 3.21 -0.10 0.54 2.02 -1.26 -5.03 118.70 115.87 3igq s GLU 75 Ca 0.61 -0.57 -0.11 0.00 0.02 0.00 0.00 54.97 54.92 3igq s GLU 75 Cb -0.51 -3.95 -0.05 0.00 0.10 0.00 0.00 34.13 29.73 3igq s GLU 75 CO 0.58 -0.90 0.25 0.42 0.02 0.00 0.00 175.26 175.64 3igq s ILE 76 N 2.42 5.31 -0.13 -1.63 -1.09 -1.26 -0.74 121.20 124.07 3igq s ILE 76 Ca 0.17 0.47 0.02 0.00 -2.23 0.00 0.00 60.65 59.07 3igq s ILE 76 Cb -0.16 -3.55 0.02 0.00 -1.58 0.00 0.00 42.46 37.19 3igq s ILE 76 CO 0.16 0.54 -0.17 -0.13 -1.23 0.00 0.00 174.94 174.10 3igq s ARG 77 N -0.58 2.50 0.08 2.79 1.81 0.14 -4.99 118.95 120.70 3igq s ARG 77 Ca 0.17 -0.66 -0.30 0.00 -1.72 0.00 0.00 55.73 53.22 3igq s ARG 77 Cb -0.14 -2.12 -0.06 0.00 -0.45 0.00 0.00 34.95 32.19 3igq s ARG 77 CO 0.06 -0.09 1.19 -0.06 -0.68 0.00 0.00 175.30 175.72 3igq s PHE 78 N 1.05 3.45 -0.09 -0.53 0.40 -1.26 -1.23 117.98 119.76 3igq s PHE 78 Ca -0.04 1.34 -0.15 0.00 -0.60 0.00 0.00 56.93 57.48 3igq s PHE 78 Cb -0.15 -3.41 -0.12 0.00 0.51 0.00 0.00 43.02 39.85 3igq s PHE 78 CO -0.04 -1.22 0.51 0.28 0.70 0.00 0.00 175.22 175.46 3igq h VAL 79 N 4.37 0.73 -2.04 -0.44 2.07 -1.07 -3.38 116.25 116.49 3igq h VAL 79 Ca -0.42 -1.36 -0.79 0.00 0.82 0.00 0.00 66.70 64.95 3igq h VAL 79 Cb 1.21 1.32 -0.22 0.00 -1.52 0.00 0.00 31.29 32.09 3igq h VAL 79 CO 0.80 0.23 1.45 -0.46 0.02 0.00 0.00 177.57 179.61 3igq n ASN 80 N -4.81 6.78 -4.29 0.57 6.94 -1.26 -4.92 115.26 114.27 3igq n ASN 80 Ca -0.05 -3.38 -0.21 0.00 -0.02 0.00 0.00 54.58 50.92 3igq n ASN 80 Cb 0.22 -1.30 -0.11 0.00 -2.36 0.00 0.00 39.78 36.23 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 -2.27 1.62 0.06 3.53 -7.23 -1.26 -0.75 120.40 114.11 3igq s VAL 81 Ca 0.40 -1.75 -0.36 0.00 -1.81 0.00 0.00 61.98 58.46 3igq s VAL 81 Cb 0.13 -1.65 -0.20 0.00 0.56 0.00 0.00 36.38 35.22 3igq s VAL 81 CO -0.02 -0.28 1.55 -0.08 -0.31 0.00 0.00 175.10 175.95 3igq h GLU 82 N 3.56 -1.22 -6.32 4.82 4.81 -1.27 -3.45 114.58 115.51 3igq h GLU 82 Ca -0.42 0.08 -0.62 0.00 -0.13 0.00 0.00 59.36 58.27 3igq h GLU 82 Cb 1.20 0.28 -0.15 0.00 0.63 0.00 0.00 28.75 30.70 3igq h GLU 82 CO 0.48 -0.81 -0.77 -0.80 -0.73 0.00 0.00 179.01 176.37 3igq s ASN 83 N -3.98 3.57 0.18 1.04 0.01 -1.26 -5.09 114.94 109.41 3igq s ASN 83 Ca -0.19 -0.98 -0.30 0.00 -0.71 0.00 0.00 52.86 50.68 3igq s ASN 83 Cb 0.02 -0.30 -0.17 0.00 0.41 0.00 0.00 41.25 41.21 3igq s ASN 83 CO 0.58 0.06 0.67 0.00 -1.51 0.00 0.00 177.10 176.90 3igq n ALA 84 N -0.39 -2.66 -0.86 0.60 0.00 -1.26 -4.76 120.51 111.18 3igq n ALA 84 Ca -0.07 0.46 -0.32 0.00 0.00 0.00 0.00 53.44 53.50 3igq n ALA 84 Cb 0.59 -1.68 0.14 0.00 0.00 0.00 0.00 19.45 18.50 3igq n ALA 84 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3igq n ARG 85 N 1.08 -0.20 -3.58 0.00 1.85 -1.26 -4.97 116.66 109.58 3igq n ARG 85 Ca 0.17 0.01 -0.40 0.00 -1.00 0.00 0.00 57.85 56.63 3igq n ARG 85 Cb 0.23 -2.26 -0.11 0.00 -1.05 0.00 0.00 32.46 29.27 3igq n ARG 85 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3igq s ASP 86 N -2.30 5.82 0.01 2.89 2.15 0.11 -4.93 116.67 120.42 3igq s ASP 86 Ca 0.67 -0.63 0.08 0.00 0.43 0.00 0.00 52.55 53.10 3igq s ASP 86 Cb -0.25 -2.07 -0.02 0.00 -0.30 0.00 0.00 42.92 40.28 3igq s ASP 86 CO 0.58 -0.28 -0.24 0.00 -0.17 0.00 0.00 175.17 175.07 3igq s ALA 87 N 1.65 1.98 -0.16 3.66 0.00 -1.26 -0.25 121.76 127.38 3igq s ALA 87 Ca 0.05 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.92 3igq s ALA 87 Cb -0.18 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.52 3igq s ALA 87 CO 0.08 0.47 -0.14 -0.51 0.00 0.00 0.00 175.76 175.67 3igq s ASP 88 N -0.88 2.90 0.18 0.00 1.01 -0.05 -4.99 116.67 114.83 3igq s ASP 88 Ca 0.09 -0.60 -0.33 0.00 0.71 0.00 0.00 52.55 52.43 3igq s ASP 88 Cb -0.09 -1.22 -0.13 0.00 1.01 0.00 0.00 42.92 42.49 3igq s ASP 88 CO 0.01 -0.07 1.66 0.52 0.21 0.00 0.00 175.17 177.50 3igq n VAL 89 N 4.74 0.03 -0.14 -1.27 0.31 -1.26 -1.36 118.33 119.38 3igq n VAL 89 Ca -0.17 -0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.89 3igq n VAL 89 Cb 0.49 -1.78 -0.10 0.00 -0.91 0.00 0.00 33.84 31.54 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 3.77 1.49 -3.70 2.52 0.31 0.81 -4.89 118.33 118.63 3igq n VAL 90 Ca 0.17 -0.41 -0.11 0.00 -0.01 0.00 0.00 64.34 63.98 3igq n VAL 90 Cb 0.32 -1.79 -0.11 0.00 -0.91 0.00 0.00 33.84 31.35 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 -7.28 -0.46 -0.20 4.52 2.15 -0.94 -5.01 116.67 109.46 3igq s ASP 91 Ca -0.37 0.81 0.01 0.00 0.43 0.00 0.00 52.55 53.43 3igq s ASP 91 Cb 0.14 0.69 0.04 0.00 -0.30 0.00 0.00 42.92 43.49 3igq s ASP 91 CO 0.50 -0.19 -0.11 -0.63 -0.17 0.00 0.00 175.17 174.57 3igq s ILE 92 N 1.33 1.73 -0.00 4.11 1.01 -1.26 0.46 121.20 128.58 3igq s ILE 92 Ca -0.09 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.54 3igq s ILE 92 Cb -0.09 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 3igq s ILE 92 CO -0.11 0.20 -0.06 -0.94 0.00 0.00 0.00 174.94 174.02 3igq s SER 93 N 1.36 0.74 -0.09 3.58 1.04 -0.31 -2.39 113.70 117.63 3igq s SER 93 Ca -0.01 -0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.30 3igq s SER 93 Cb -0.16 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 65.86 3igq s SER 93 CO -0.08 0.07 -0.13 -0.69 0.98 0.00 0.00 173.24 173.38 3igq s VAL 94 N -0.19 3.13 0.62 5.02 1.01 0.13 -0.68 120.40 129.44 3igq s VAL 94 Ca 0.02 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 3igq s VAL 94 Cb -0.03 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 34.09 3igq s VAL 94 CO -0.00 0.56 0.95 -0.44 0.00 0.00 0.00 175.10 176.17 3igq s SER 95 N -0.22 5.52 0.47 3.32 0.01 -0.28 -1.40 113.70 121.12 3igq s SER 95 Ca 0.01 0.80 0.17 0.00 1.31 0.00 0.00 55.95 58.24 3igq s SER 95 Cb -0.13 -1.73 1.15 0.00 0.21 0.00 0.00 66.02 65.52 3igq s SER 95 CO 0.03 -1.16 1.99 -0.65 0.41 0.00 0.00 173.24 173.87 3igq h PRO 96 N -0.31 0.25 -0.09 12.44 0.11 -1.82 -1.13 132.00 141.46 3igq h PRO 96 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3igq h PRO 96 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3igq h PRO 96 CO 0.61 0.17 0.00 -0.40 -0.21 0.00 0.00 178.00 178.17 3igq n ASP 97 N -4.45 0.65 0.00 -2.05 5.75 -1.26 -1.31 116.55 113.87 3igq n ASP 97 Ca 0.09 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 3igq n ASP 97 Cb 0.43 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 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 0.83 0.65 3.67 6.12 0.00 -0.43 -4.68 105.19 111.36 3igq n GLY 98 Ca 0.10 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 4.02 -0.17 2.61 2.01 -1.26 -0.26 115.64 120.60 3igq s THR 99 Ca 0.00 1.31 -0.13 0.00 0.31 0.00 0.00 61.69 63.18 3igq s THR 99 Cb 0.00 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 3igq s THR 99 CO 0.00 -0.06 0.25 -0.69 -0.69 0.00 0.00 174.62 173.43 3igq s VAL 100 N 2.97 5.34 -0.24 3.82 1.01 0.63 -1.12 120.40 132.80 3igq s VAL 100 Ca 0.60 0.44 -0.04 0.00 0.00 0.00 0.00 61.98 62.99 3igq s VAL 100 Cb -0.27 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.54 3igq s VAL 100 CO 0.22 0.41 -0.03 -1.10 0.00 0.00 0.00 175.10 174.60 3igq s GLN 101 N 0.36 3.14 -0.07 2.72 -0.21 0.14 -2.25 119.66 123.50 3igq s GLN 101 Ca 0.14 -0.79 0.03 0.00 0.02 0.00 0.00 55.36 54.77 3igq s GLN 101 Cb -0.12 -3.07 -0.02 0.00 1.00 0.00 0.00 33.01 30.80 3igq s GLN 101 CO 0.02 -0.31 -0.16 -0.47 -2.12 0.00 0.00 175.29 172.26 3igq s TYR 102 N 1.43 2.68 -0.06 0.91 6.14 0.15 -1.16 117.35 127.44 3igq s TYR 102 Ca 0.03 -0.37 0.01 0.00 0.64 0.00 0.00 57.07 57.38 3igq s TYR 102 Cb -0.16 -1.68 0.02 0.00 0.42 0.00 0.00 41.96 40.57 3igq s TYR 102 CO -0.03 0.02 -0.05 -1.17 0.64 0.00 0.00 175.55 174.97 3igq s LEU 103 N -0.37 1.23 0.15 6.97 2.96 0.17 -0.78 118.68 129.02 3igq s LEU 103 Ca 0.04 -0.16 0.07 0.00 -0.22 0.00 0.00 54.13 53.85 3igq s LEU 103 Cb -0.12 -0.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.98 3igq s LEU 103 CO 0.02 -0.07 -0.15 -1.83 -1.32 0.00 0.00 176.35 173.00 3igq s GLU 104 N 1.14 1.16 -0.13 1.98 -1.05 -0.26 -0.13 118.70 121.40 3igq s GLU 104 Ca -0.07 -1.36 -0.05 0.00 -0.15 0.00 0.00 54.97 53.34 3igq s GLU 104 Cb -0.14 -1.06 -0.04 0.00 -0.44 0.00 0.00 34.13 32.45 3igq s GLU 104 CO -0.01 0.20 0.05 0.50 0.95 0.00 0.00 175.26 176.95 3igq s ARG 105 N -2.93 3.46 0.16 -4.83 3.00 -0.47 -1.25 118.95 116.10 3igq s ARG 105 Ca 0.14 -0.33 0.01 0.00 -1.00 0.00 0.00 55.73 54.55 3igq s ARG 105 Cb -0.04 -3.03 -0.04 0.00 0.00 0.00 0.00 34.95 31.83 3igq s ARG 105 CO 0.05 0.55 0.00 -0.59 0.00 0.00 0.00 175.30 175.31 3igq s PHE 106 N -0.42 1.14 -0.02 5.12 -0.12 0.62 -0.87 117.98 123.43 3igq s PHE 106 Ca 0.09 -1.04 0.03 0.00 -0.05 0.00 0.00 56.93 55.96 3igq s PHE 106 Cb -0.12 -0.65 -0.00 0.00 -0.63 0.00 0.00 43.02 41.62 3igq s PHE 106 CO 0.02 -0.24 -0.09 0.45 -0.05 0.00 0.00 175.22 175.30 3igq s SER 107 N -3.15 1.16 0.06 1.98 0.15 0.66 -1.91 113.70 112.65 3igq s SER 107 Ca 0.23 -0.18 -0.23 0.00 0.70 0.00 0.00 55.95 56.47 3igq s SER 107 Cb 0.06 -0.21 0.06 0.00 -1.71 0.00 0.00 66.02 64.22 3igq s SER 107 CO 0.03 0.09 0.55 0.00 1.20 0.00 0.00 173.24 175.11 3igq s ALA 108 N -0.04 -1.42 -0.40 5.45 0.00 -0.82 -0.71 121.76 123.82 3igq s ALA 108 Ca 0.01 0.65 -0.14 0.00 0.00 0.00 0.00 51.96 52.47 3igq s ALA 108 Cb -0.06 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.52 3igq s ALA 108 CO -0.00 -0.54 0.28 0.50 0.00 0.00 0.00 175.76 176.00 3igq s ARG 109 N -2.57 3.01 -0.06 0.00 3.52 -1.26 -0.70 118.95 120.89 3igq s ARG 109 Ca -0.05 -0.99 -0.19 0.00 -0.13 0.00 0.00 55.73 54.37 3igq s ARG 109 Cb -0.01 -3.92 -0.05 0.00 -1.56 0.00 0.00 34.95 29.42 3igq s ARG 109 CO -0.03 -0.71 0.54 0.08 -0.81 0.00 0.00 175.30 174.38 3igq s VAL 110 N 1.67 5.06 -0.69 7.11 1.01 0.13 -0.71 120.40 133.97 3igq s VAL 110 Ca 0.05 1.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.97 3igq s VAL 110 Cb -0.19 -3.88 0.15 0.00 0.00 0.00 0.00 36.38 32.46 3igq s VAL 110 CO 0.10 0.37 0.72 -0.76 0.00 0.00 0.00 175.10 175.53 3igq s LEU 111 N 0.21 5.95 -0.41 3.92 1.43 0.07 -2.28 118.68 127.57 3igq s LEU 111 Ca 0.29 -1.96 0.06 0.00 -1.03 0.00 0.00 54.13 51.49 3igq s LEU 111 Cb -0.17 -2.26 0.17 0.00 0.03 0.00 0.00 46.19 43.96 3igq s LEU 111 CO 0.14 -0.89 0.54 -0.55 0.23 0.00 0.00 176.35 175.82 3igq s SER 112 N 3.20 -0.39 0.32 2.29 0.15 -0.94 -4.82 113.70 113.51 3igq s SER 112 Ca 0.14 -1.36 -0.29 0.00 0.70 0.00 0.00 55.95 55.13 3igq s SER 112 Cb -0.19 1.31 -0.11 0.00 -1.71 0.00 0.00 66.02 65.32 3igq s SER 112 CO -0.01 -0.18 1.50 -2.84 1.20 0.00 0.00 173.24 172.91 3igq s PRO 113 N 1.43 4.17 0.27 5.44 0.02 -1.04 -4.70 135.00 140.58 3igq s PRO 113 Ca 0.20 2.49 -0.29 0.00 0.02 0.00 0.00 61.00 63.42 3igq s PRO 113 Cb -0.07 -3.02 -0.09 0.00 0.02 0.00 0.00 34.50 31.34 3igq s PRO 113 CO -0.06 -0.51 1.05 -0.51 -0.33 0.00 0.00 177.00 176.64 3igq s LEU 114 N -1.22 4.56 0.00 -5.54 1.02 0.40 -4.98 118.68 112.92 3igq s LEU 114 Ca 0.57 2.16 0.00 0.00 0.02 0.00 0.00 54.13 56.88 3igq s LEU 114 Cb -0.45 -3.65 0.00 0.00 0.02 0.00 0.00 46.19 42.11 3igq s LEU 114 CO 0.53 -0.06 0.23 -0.67 0.02 0.00 0.00 176.35 176.41 3igq n ASP 115 N 1.23 0.00 -0.55 2.29 -0.08 -1.26 -4.90 116.55 113.27 3igq n ASP 115 Ca -0.01 0.24 0.05 0.00 -1.51 0.00 0.00 54.79 53.55 3igq n ASP 115 Cb 0.46 -0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.90 3igq n ASP 115 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3igq n ASP 122 N -0.51 -3.29 -4.42 1.67 8.00 -1.26 -5.18 116.55 111.56 3igq n ASP 122 Ca 0.00 0.40 -0.22 0.00 0.71 0.00 0.00 54.79 55.68 3igq n ASP 122 Cb 0.00 -1.29 -0.10 0.00 -0.02 0.00 0.00 41.12 39.71 3igq n ASP 122 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3igq s SER 123 N -3.83 3.21 0.34 -2.24 1.04 -1.26 -3.40 113.70 107.57 3igq s SER 123 Ca 0.00 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.41 3igq s SER 123 Cb 0.00 -0.24 -0.00 0.00 0.10 0.00 0.00 66.02 65.88 3igq s SER 123 CO 0.00 -0.03 0.43 0.00 0.98 0.00 0.00 173.24 174.62 3igq s GLN 124 N -3.52 1.89 -0.16 4.02 -2.07 0.55 -4.96 119.66 115.42 3igq s GLN 124 Ca 0.27 -1.84 -0.00 0.00 -1.82 0.00 0.00 55.36 51.96 3igq s GLN 124 Cb -0.04 0.42 0.04 0.00 -1.09 0.00 0.00 33.01 32.34 3igq s GLN 124 CO 0.12 -0.77 -0.06 0.99 -1.32 0.00 0.00 175.29 174.25 3igq s THR 125 N -3.11 1.15 0.35 3.63 2.01 -1.26 0.26 115.64 118.66 3igq s THR 125 Ca 0.33 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.76 3igq s THR 125 Cb 0.00 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 3igq s THR 125 CO 0.23 0.20 0.54 -0.76 -0.69 0.00 0.00 174.62 174.13 3igq s LEU 126 N 1.63 3.99 0.01 4.42 1.43 -0.09 -4.92 118.68 125.15 3igq s LEU 126 Ca 0.02 0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.50 3igq s LEU 126 Cb -0.15 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 42.85 3igq s LEU 126 CO -0.08 -0.33 -0.10 -1.00 0.23 0.00 0.00 176.35 175.07 3igq s HIS 127 N -2.31 0.85 -0.17 0.29 3.76 -1.26 -1.09 115.29 115.36 3igq s HIS 127 Ca 0.41 -0.25 0.01 0.00 -0.15 0.00 0.00 55.06 55.08 3igq s HIS 127 Cb -0.10 -0.53 0.02 0.00 1.11 0.00 0.00 32.58 33.09 3igq s HIS 127 CO 0.35 -0.01 -0.19 0.42 -0.85 0.00 0.00 174.74 174.46 3igq s ILE 128 N -0.55 1.95 -0.12 0.60 1.01 -0.48 -4.75 121.20 118.86 3igq s ILE 128 Ca 0.01 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 3igq s ILE 128 Cb -0.05 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 3igq s ILE 128 CO 0.00 0.52 0.05 -0.31 0.00 0.00 0.00 174.94 175.20 3igq s TYR 129 N 1.29 3.27 -0.03 3.97 2.02 -1.26 0.01 117.35 126.63 3igq s TYR 129 Ca 0.04 0.21 0.05 0.00 -0.37 0.00 0.00 57.07 56.99 3igq s TYR 129 Cb -0.13 -1.91 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 3igq s TYR 129 CO -0.12 0.42 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.61 3igq s LEU 130 N -0.52 1.95 0.40 -1.29 1.02 -0.41 -0.36 118.68 119.47 3igq s LEU 130 Ca 0.10 -0.32 0.04 0.00 0.02 0.00 0.00 54.13 53.97 3igq s LEU 130 Cb -0.12 -0.90 -0.04 0.00 0.02 0.00 0.00 46.19 45.15 3igq s LEU 130 CO 0.02 0.17 0.06 0.27 0.02 0.00 0.00 176.35 176.89 3igq s ILE 131 N -0.12 1.15 0.03 -0.59 -4.36 -0.37 -0.30 121.20 116.65 3igq s ILE 131 Ca 0.00 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.45 3igq s ILE 131 Cb -0.09 -2.57 -0.02 0.00 1.25 0.00 0.00 42.46 41.03 3igq s ILE 131 CO 0.01 0.00 -0.16 0.54 0.24 0.00 0.00 174.94 175.57 3igq s VAL 132 N -3.08 1.24 0.22 8.37 0.11 -1.26 -0.68 120.40 125.31 3igq s VAL 132 Ca 0.26 -1.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.02 3igq s VAL 132 Cb 0.06 -1.10 -0.09 0.00 -1.53 0.00 0.00 36.38 33.72 3igq s VAL 132 CO 0.13 0.09 1.18 -0.13 -3.33 0.00 0.00 175.10 173.04 3igq s ARG 133 N -1.04 4.52 0.59 1.54 0.52 0.08 -4.96 118.95 120.19 3igq s ARG 133 Ca 0.03 1.88 -0.15 0.00 -0.52 0.00 0.00 55.73 56.98 3igq s ARG 133 Cb -0.08 -3.21 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 3igq s ARG 133 CO 0.01 -0.02 1.04 -1.12 0.02 0.00 0.00 175.30 175.23 3igq s SER 134 N -0.16 5.93 0.10 0.23 0.01 -1.26 -4.75 113.70 113.80 3igq s SER 134 Ca 0.50 1.74 0.04 0.00 1.31 0.00 0.00 55.95 59.55 3igq s SER 134 Cb -0.33 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.34 3igq s SER 134 CO 0.39 -1.07 -0.12 0.68 0.41 0.00 0.00 173.24 173.53 3igq s VAL 135 N -2.56 1.07 -0.10 3.43 -7.23 -1.26 -5.10 120.40 108.66 3igq s VAL 135 Ca 0.62 -1.62 0.14 0.00 -1.81 0.00 0.00 61.98 59.31 3igq s VAL 135 Cb -0.14 -1.36 -0.06 0.00 0.56 0.00 0.00 36.38 35.38 3igq s VAL 135 CO 0.38 -0.47 1.19 -2.24 -0.31 0.00 0.00 175.10 173.65 3igq h ASP 136 N 3.65 0.00 0.85 4.85 3.04 -2.04 -3.30 116.42 123.46 3igq h ASP 136 Ca -0.38 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.41 3igq h ASP 136 Cb 1.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 3igq h ASP 136 CO 0.51 0.63 0.00 0.35 -2.04 0.00 0.00 179.24 178.69 3igq n THR 137 N -3.14 0.11 -3.95 1.15 -2.24 -1.26 -4.86 114.28 100.09 3igq n THR 137 Ca -0.03 0.03 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 3igq n THR 137 Cb 0.82 -0.56 -0.09 0.00 -2.10 0.00 0.00 70.33 68.40 3igq n THR 137 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3igq s ARG 138 N -2.91 0.63 -0.36 -0.78 1.81 -1.24 -4.70 118.95 111.39 3igq s ARG 138 Ca 0.16 -0.89 -0.17 0.00 -1.72 0.00 0.00 55.73 53.11 3igq s ARG 138 Cb 0.18 0.24 -0.00 0.00 -0.45 0.00 0.00 34.95 34.92 3igq s ARG 138 CO 0.48 -0.16 0.44 0.54 -0.68 0.00 0.00 175.30 175.93 3igq s ASN 139 N -2.41 6.23 -0.21 0.23 2.20 -1.26 -4.40 114.94 115.32 3igq s ASN 139 Ca -0.01 -0.26 -0.15 0.00 -0.94 0.00 0.00 52.86 51.50 3igq s ASN 139 Cb 0.02 -2.23 -0.04 0.00 -2.00 0.00 0.00 41.25 37.00 3igq s ASN 139 CO -0.07 -0.45 0.36 -0.63 -2.94 0.00 0.00 177.10 173.37 3igq s ILE 140 N 2.19 5.22 -0.11 0.54 1.01 -1.25 -2.47 121.20 126.33 3igq s ILE 140 Ca 0.14 0.60 0.03 0.00 0.00 0.00 0.00 60.65 61.43 3igq s ILE 140 Cb -0.16 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.63 3igq s ILE 140 CO 0.13 0.26 -0.21 -0.69 0.00 0.00 0.00 174.94 174.42 3igq s VAL 141 N 1.34 1.91 0.05 2.92 1.01 -0.34 -4.29 120.40 123.01 3igq s VAL 141 Ca 0.17 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 3igq s VAL 141 Cb -0.15 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.50 3igq s VAL 141 CO 0.07 0.52 0.75 -0.76 0.00 0.00 0.00 175.10 175.69 3igq s LEU 142 N 0.62 4.46 0.32 3.92 1.43 -1.26 -0.32 118.68 127.84 3igq s LEU 142 Ca -0.13 1.44 0.03 0.00 -1.03 0.00 0.00 54.13 54.44 3igq s LEU 142 Cb -0.17 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 42.80 3igq s LEU 142 CO 0.03 0.04 0.09 0.00 0.23 0.00 0.00 176.35 176.74 3igq s ALA 143 N -0.15 2.29 -0.14 4.21 0.00 0.44 -4.89 121.76 123.54 3igq s ALA 143 Ca 0.38 -1.81 0.01 0.00 0.00 0.00 0.00 51.96 50.54 3igq s ALA 143 Cb -0.20 0.82 -0.00 0.00 0.00 0.00 0.00 23.12 23.73 3igq s ALA 143 CO 0.23 -0.37 -0.17 0.08 0.00 0.00 0.00 175.76 175.53 3igq s VAL 144 N -3.42 2.59 -0.46 0.00 1.01 -1.26 -0.98 120.40 117.88 3igq s VAL 144 Ca 0.34 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 3igq s VAL 144 Cb 0.07 -2.07 0.09 0.00 0.00 0.00 0.00 36.38 34.47 3igq s VAL 144 CO 0.15 0.53 0.34 -0.62 0.00 0.00 0.00 175.10 175.49 3igq s ASP 145 N 0.62 5.82 0.58 3.32 -1.08 -0.16 -4.82 116.67 120.95 3igq s ASP 145 Ca -0.09 -1.60 0.35 0.00 -0.52 0.00 0.00 52.55 50.69 3igq s ASP 145 Cb -0.16 -2.06 1.72 0.00 -1.46 0.00 0.00 42.92 40.96 3igq s ASP 145 CO 0.03 -0.64 2.13 -0.07 0.52 0.00 0.00 175.17 177.14 3igq h LEU 146 N 8.55 0.00 -1.73 -1.34 3.38 -1.93 -0.28 115.31 121.96 3igq h LEU 146 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3igq h LEU 146 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3igq h LEU 146 CO 0.84 0.04 0.00 -0.33 0.09 0.00 0.00 178.44 179.08 3igq h GLU 147 N 0.00 0.00 -0.54 1.13 5.08 -1.96 -2.85 114.58 115.45 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 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3igq h GLU 147 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 3igq n LYS 148 N -3.03 2.88 -3.93 2.33 4.76 -0.12 -4.89 118.16 116.16 3igq n LYS 148 Ca -0.00 -2.41 -0.35 0.00 -2.87 0.00 0.00 58.31 52.68 3igq n LYS 148 Cb 0.25 -1.47 -0.13 0.00 -1.84 0.00 0.00 35.03 31.84 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 -1.12 3.67 0.00 -0.18 1.01 -1.08 -2.48 120.40 120.22 3igq s VAL 149 Ca 0.37 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3igq s VAL 149 Cb 0.20 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.91 3igq s VAL 149 CO 0.24 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.36 3igq n GLY 150 N 4.68 1.51 3.19 4.51 0.00 -0.78 -4.96 105.19 113.35 3igq n GLY 150 Ca -0.18 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.97 0.50 0.36 1.61 -2.85 -1.26 -1.05 119.74 115.08 3igq s LYS 151 Ca 0.00 0.04 0.06 0.00 -1.00 0.00 0.00 55.97 55.06 3igq s LYS 151 Cb 0.00 0.23 0.69 0.00 -2.06 0.00 0.00 37.83 36.68 3igq s LYS 151 CO 0.00 -0.11 1.92 -0.97 0.10 0.00 0.00 175.35 176.29 3igq h ASN 152 N 4.71 0.44 -0.71 0.03 -0.73 -1.32 -3.47 115.58 114.53 3igq h ASN 152 Ca -0.28 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 57.82 3igq h ASN 152 Cb 1.18 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.66 3igq h ASN 152 CO 0.37 0.48 0.00 -0.90 -0.37 0.00 0.00 177.43 177.01 3igq n ASP 153 N -4.32 0.00 -0.60 1.15 5.75 -1.26 -5.05 116.55 112.22 3igq n ASP 153 Ca 0.01 -0.67 0.12 0.00 -0.01 0.00 0.00 54.79 54.24 3igq n ASP 153 Cb 0.21 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.41 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 -0.76 2.17 -4.52 -1.12 8.00 -1.26 -4.86 116.55 114.20 3igq n ASP 154 Ca 0.00 -1.59 -0.36 0.00 0.71 0.00 0.00 54.79 53.56 3igq n ASP 154 Cb 0.00 0.27 -0.12 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 -2.31 4.46 -0.01 2.53 1.01 -1.26 0.79 120.40 125.61 3igq s VAL 155 Ca 0.23 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 3igq s VAL 155 Cb 0.19 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3igq s VAL 155 CO 0.47 0.39 0.55 0.15 0.00 0.00 0.00 175.10 176.66 3igq h PHE 156 N 7.56 -0.21 -2.43 5.22 3.57 -0.98 -3.45 116.94 126.22 3igq h PHE 156 Ca -0.37 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.11 3igq h PHE 156 Cb 1.18 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.99 3igq h PHE 156 CO 0.62 -0.13 0.10 1.47 -2.23 0.00 0.00 178.31 178.15 3igq n LEU 157 N -3.16 0.00 -4.53 0.59 -0.00 -1.21 -4.11 117.00 104.59 3igq n LEU 157 Ca -0.03 -1.07 -0.47 0.00 -0.00 0.00 0.00 56.01 54.45 3igq n LEU 157 Cb 0.09 1.55 -0.05 0.00 -0.00 0.00 0.00 43.42 45.01 3igq n LEU 157 CO 0.07 -0.35 1.83 0.41 -0.00 0.00 0.00 177.39 179.35 3igq n THR 158 N -0.22 0.27 0.00 1.47 -1.04 -1.26 -1.44 114.28 112.06 3igq n THR 158 Ca -0.03 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 3igq n THR 158 Cb 0.24 -2.14 0.00 0.00 -1.82 0.00 0.00 70.33 66.61 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 6.14 1.59 2.83 3.41 0.00 -1.26 -5.09 105.19 112.82 3igq n GLY 159 Ca 0.35 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.09 0.18 0.33 1.61 0.52 -0.52 -0.89 118.94 118.08 3igq s TRP 160 Ca 0.00 0.02 -0.01 0.00 0.02 0.00 0.00 56.10 56.13 3igq s TRP 160 Cb 0.00 -0.25 -0.04 0.00 -1.15 0.00 0.00 33.47 32.03 3igq s TRP 160 CO 0.00 -0.07 0.56 -0.51 0.02 0.00 0.00 176.95 176.94 3igq s ASP 161 N 0.65 6.33 -0.27 2.95 1.01 0.30 -0.43 116.67 127.23 3igq s ASP 161 Ca -0.06 0.55 -0.13 0.00 0.71 0.00 0.00 52.55 53.62 3igq s ASP 161 Cb -0.09 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 3igq s ASP 161 CO -0.01 -0.28 0.28 -0.63 0.21 0.00 0.00 175.17 174.73 3igq s ILE 162 N -2.26 5.25 -0.11 0.77 1.01 0.24 -1.51 121.20 124.58 3igq s ILE 162 Ca 0.41 0.37 -0.27 0.00 0.00 0.00 0.00 60.65 61.16 3igq s ILE 162 Cb -0.10 -3.61 -0.26 0.00 0.01 0.00 0.00 42.46 38.50 3igq s ILE 162 CO 0.35 0.22 0.85 -0.33 0.00 0.00 0.00 174.94 176.03 3igq h GLU 163 N 8.15 0.06 -3.29 2.79 4.39 -0.16 -3.46 114.58 123.06 3igq h GLU 163 Ca -0.34 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.25 3igq h GLU 163 Cb 1.17 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.75 3igq h GLU 163 CO 0.61 0.98 0.03 -1.54 -1.16 0.00 0.00 179.01 177.93 3igq s SER 164 N -6.28 -0.28 -0.15 1.42 1.04 -1.13 -5.02 113.70 103.30 3igq s SER 164 Ca -0.18 -0.43 -0.04 0.00 0.48 0.00 0.00 55.95 55.78 3igq s SER 164 Cb -0.02 0.57 0.05 0.00 0.10 0.00 0.00 66.02 66.72 3igq s SER 164 CO 0.71 -1.02 0.08 0.12 0.98 0.00 0.00 173.24 174.10 3igq s PHE 165 N -3.86 0.28 0.27 5.02 5.36 -1.26 -1.43 117.98 122.37 3igq s PHE 165 Ca 0.08 -0.27 0.04 0.00 -0.96 0.00 0.00 56.93 55.82 3igq s PHE 165 Cb -0.01 -0.70 -0.02 0.00 -0.34 0.00 0.00 43.02 41.96 3igq s PHE 165 CO -0.05 -0.46 0.15 0.25 -1.46 0.00 0.00 175.22 173.66 3igq n THR 166 N 5.25 0.00 -4.04 0.12 -2.24 -0.87 -4.79 114.28 107.70 3igq n THR 166 Ca -0.07 -1.76 -0.10 0.00 -2.27 0.00 0.00 64.05 59.85 3igq n THR 166 Cb 0.49 0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 69.36 3igq n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3igq s ALA 167 N -2.90 0.41 -0.01 6.98 0.00 -1.26 0.13 121.76 125.11 3igq s ALA 167 Ca 0.22 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.36 3igq s ALA 167 Cb 0.01 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.27 3igq s ALA 167 CO 0.15 -0.16 -0.03 0.08 0.00 0.00 0.00 175.76 175.81 3igq s VAL 168 N -2.05 0.26 -0.26 0.00 1.01 -0.60 -4.97 120.40 113.80 3igq s VAL 168 Ca -0.08 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 3igq s VAL 168 Cb -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 3igq s VAL 168 CO -0.02 0.09 0.70 -0.69 0.00 0.00 0.00 175.10 175.17 3igq s VAL 169 N 0.12 4.92 0.36 2.92 1.01 -1.26 -0.56 120.40 127.91 3igq s VAL 169 Ca -0.01 1.22 0.09 0.00 0.00 0.00 0.00 61.98 63.28 3igq s VAL 169 Cb -0.04 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 3igq s VAL 169 CO -0.00 -0.04 -0.00 -0.54 0.00 0.00 0.00 175.10 174.51 3igq s LYS 170 N 2.64 2.00 0.27 2.72 1.02 -0.64 -4.99 119.74 122.76 3igq s LYS 170 Ca 0.29 -1.86 -0.30 0.00 0.02 0.00 0.00 55.97 54.11 3igq s LYS 170 Cb -0.15 -1.83 -0.11 0.00 -0.52 0.00 0.00 37.83 35.22 3igq s LYS 170 CO 0.09 0.09 1.56 -2.14 -0.92 0.00 0.00 175.35 174.03 3igq s PRO 171 N -3.70 4.16 0.64 -1.68 0.02 -1.26 -2.73 135.00 130.45 3igq s PRO 171 Ca 0.35 2.50 -0.15 0.00 0.02 0.00 0.00 61.00 63.72 3igq s PRO 171 Cb 0.02 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.48 3igq s PRO 171 CO 0.19 -0.59 1.09 -0.51 -0.33 0.00 0.00 177.00 176.84 3igq s LEU 180 N -0.29 3.39 0.00 -5.54 1.43 -1.26 -4.47 118.68 111.93 3igq s LEU 180 Ca 0.63 1.89 -0.02 0.00 -1.03 0.00 0.00 54.13 55.60 3igq s LEU 180 Cb -0.46 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.23 3igq s LEU 180 CO 0.45 -1.47 0.12 1.21 0.23 0.00 0.00 176.35 176.89 3igq n GLU 181 N -2.39 0.08 -3.91 1.70 2.13 -1.26 -3.91 120.64 113.07 3igq n GLU 181 Ca 0.09 -0.18 0.04 0.00 0.66 0.00 0.00 57.16 57.77 3igq n GLU 181 Cb 0.52 0.24 0.01 0.00 0.27 0.00 0.00 31.44 32.48 3igq n GLU 181 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3igq s SER 182 N -1.28 -0.00 -0.02 4.31 1.04 -1.26 -4.80 113.70 111.68 3igq s SER 182 Ca 0.03 -0.10 -0.06 0.00 0.48 0.00 0.00 55.95 56.30 3igq s SER 182 Cb -0.00 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.20 3igq s SER 182 CO 0.01 -0.15 0.13 -1.59 0.98 0.00 0.00 173.24 172.61 3igq s LYS 183 N -2.05 0.35 -0.11 4.02 -2.85 -1.11 -4.74 119.74 113.25 3igq s LYS 183 Ca 0.27 -0.19 -0.09 0.00 -1.00 0.00 0.00 55.97 54.96 3igq s LYS 183 Cb 0.01 0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.89 3igq s LYS 183 CO -0.03 -0.07 0.19 -0.51 0.10 0.00 0.00 175.35 175.03 3igq s LEU 184 N -0.83 4.38 -0.37 2.77 1.43 0.59 -1.62 118.68 125.03 3igq s LEU 184 Ca -0.09 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 3igq s LEU 184 Cb -0.05 -2.18 0.10 0.00 0.03 0.00 0.00 46.19 44.09 3igq s LEU 184 CO 0.01 0.36 0.11 -0.62 0.23 0.00 0.00 176.35 176.44 3igq s ASP 185 N -0.83 5.01 -0.11 2.29 2.15 0.28 -1.29 116.67 124.16 3igq s ASP 185 Ca 0.16 -2.00 -0.28 0.00 0.43 0.00 0.00 52.55 50.86 3igq s ASP 185 Cb -0.13 -1.73 -0.01 0.00 -0.30 0.00 0.00 42.92 40.75 3igq s ASP 185 CO 0.05 -0.44 0.95 -0.31 -0.17 0.00 0.00 175.17 175.25 3igq s TYR 186 N 1.05 3.51 -0.22 -5.34 1.51 0.10 -1.55 117.35 116.41 3igq s TYR 186 Ca 0.08 1.51 -0.04 0.00 -1.01 0.00 0.00 57.07 57.60 3igq s TYR 186 Cb -0.21 -3.13 -0.01 0.00 -0.11 0.00 0.00 41.96 38.50 3igq s TYR 186 CO -0.05 -0.19 -0.02 -0.65 -1.11 0.00 0.00 175.55 173.52 3igq s GLN 187 N 1.90 3.44 -0.43 -0.62 -0.21 0.34 -1.38 119.66 122.69 3igq s GLN 187 Ca 0.46 -0.60 -0.07 0.00 0.02 0.00 0.00 55.36 55.17 3igq s GLN 187 Cb -0.18 -3.05 0.10 0.00 1.00 0.00 0.00 33.01 30.88 3igq s GLN 187 CO 0.17 -0.17 0.27 -1.17 -2.12 0.00 0.00 175.29 172.27 3igq s LEU 188 N 1.44 5.33 -0.20 2.90 2.96 -0.25 -2.06 118.68 128.81 3igq s LEU 188 Ca 0.05 -1.79 -0.22 0.00 -0.22 0.00 0.00 54.13 51.96 3igq s LEU 188 Cb -0.14 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 3igq s LEU 188 CO -0.02 -0.59 0.68 -0.60 -1.32 0.00 0.00 176.35 174.51 3igq s ARG 189 N 1.32 4.21 0.19 1.98 3.52 -0.51 -0.92 118.95 128.75 3igq s ARG 189 Ca 0.05 0.71 0.06 0.00 -0.13 0.00 0.00 55.73 56.42 3igq s ARG 189 Cb -0.24 -3.59 -0.05 0.00 -1.56 0.00 0.00 34.95 29.51 3igq s ARG 189 CO -0.01 -0.30 -0.12 0.96 -0.81 0.00 0.00 175.30 175.03 3igq s ILE 190 N 2.09 1.53 0.04 4.11 -4.36 0.14 0.58 121.20 125.33 3igq s ILE 190 Ca 0.31 -2.15 -0.14 0.00 -0.26 0.00 0.00 60.65 58.40 3igq s ILE 190 Cb -0.16 -2.03 0.02 0.00 1.25 0.00 0.00 42.46 41.55 3igq s ILE 190 CO 0.10 -0.61 0.32 -0.94 0.24 0.00 0.00 174.94 174.05 3igq s SER 191 N -3.28 -0.15 0.40 4.36 1.04 -0.57 -0.33 113.70 115.17 3igq s SER 191 Ca 0.21 -0.15 -0.26 0.00 0.48 0.00 0.00 55.95 56.23 3igq s SER 191 Cb 0.01 0.36 -0.09 0.00 0.10 0.00 0.00 66.02 66.40 3igq s SER 191 CO 0.05 -0.61 1.32 -0.13 0.98 0.00 0.00 173.24 174.85 3igq s ARG 192 N -2.49 3.99 0.00 4.02 0.52 -1.22 -0.54 118.95 123.24 3igq s ARG 192 Ca -0.05 2.20 0.23 0.00 -0.52 0.00 0.00 55.73 57.59 3igq s ARG 192 Cb -0.01 -2.79 1.34 0.00 0.52 0.00 0.00 34.95 34.01 3igq s ARG 192 CO -0.03 -0.49 1.72 1.04 0.02 0.00 0.00 175.30 177.56