#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ioq s VAL 2 N 0.00 4.81 0.49 3.15 1.01 -1.26 -1.51 120.40 127.09 1ioq s VAL 2 Ca 0.00 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 1ioq s VAL 2 Cb 0.00 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 1ioq s VAL 2 CO 0.00 -0.17 0.99 -0.36 0.00 0.00 0.00 175.10 175.56 1ioq s PHE 3 N 1.61 3.26 0.45 5.22 0.40 0.20 -5.00 117.98 124.11 1ioq s PHE 3 Ca 0.04 1.54 -0.04 0.00 -0.60 0.00 0.00 56.93 57.86 1ioq s PHE 3 Cb -0.19 -2.89 -0.04 0.00 0.51 0.00 0.00 43.02 40.42 1ioq s PHE 3 CO 0.08 -0.47 0.74 0.20 0.70 0.00 0.00 175.22 176.46 1ioq s GLY 4 N -2.54 1.50 0.11 4.36 0.00 -1.26 -4.86 107.32 104.63 1ioq s GLY 4 Ca 0.62 -0.56 -0.31 0.00 0.00 0.00 0.00 44.72 44.46 1ioq s GLY 4 CO 0.24 -0.42 1.59 -0.09 0.00 0.00 0.00 173.10 174.42 1ioq h ARG 5 N 0.41 -0.67 -0.02 2.90 2.43 -1.97 -1.39 114.38 116.07 1ioq h ARG 5 Ca -0.47 0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 58.63 1ioq h ARG 5 Cb 1.21 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 1ioq h ARG 5 CO 0.62 -0.45 -0.53 0.00 -1.51 0.00 0.00 179.97 178.10 1ioq h GLU 7 N 0.03 0.65 -0.51 0.00 4.81 -1.92 -2.17 114.58 115.47 1ioq h GLU 7 Ca -0.00 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 58.97 1ioq h GLU 7 Cb 0.94 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1ioq h GLU 7 CO 0.07 0.69 -0.04 1.25 -0.73 0.00 0.00 179.01 180.25 1ioq h LEU 8 N 0.51 0.92 -0.83 1.64 5.85 -1.13 -1.56 115.31 120.71 1ioq h LEU 8 Ca 0.12 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.59 1ioq h LEU 8 Cb 0.34 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1ioq h LEU 8 CO 0.00 1.02 0.50 0.00 -0.34 0.00 0.00 178.44 179.63 1ioq h ALA 9 N 0.93 1.15 -0.36 1.25 0.00 -1.25 0.20 119.26 121.18 1ioq h ALA 9 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1ioq h ALA 9 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ioq h ALA 9 CO 0.03 0.22 -0.12 0.00 0.00 0.00 0.00 179.25 179.39 1ioq h ALA 10 N 1.41 0.49 -0.77 0.00 0.00 -1.22 -1.13 119.26 118.04 1ioq h ALA 10 Ca 0.37 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1ioq h ALA 10 Cb 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1ioq h ALA 10 CO -0.19 0.37 0.28 0.00 0.00 0.00 0.00 179.25 179.72 1ioq h ALA 11 N 0.81 1.00 -0.42 0.00 0.00 -0.81 -1.54 119.26 118.30 1ioq h ALA 11 Ca 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1ioq h ALA 11 Cb 0.64 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1ioq h ALA 11 CO 0.04 0.64 0.17 0.74 0.00 0.00 0.00 179.25 180.84 1ioq h PHE 12 N 1.12 0.63 -0.39 0.00 0.05 -0.84 -1.82 116.94 115.70 1ioq h PHE 12 Ca 0.25 -0.05 -0.00 0.00 3.82 0.00 0.00 57.97 61.99 1ioq h PHE 12 Cb 0.25 -0.19 -0.02 0.00 2.00 0.00 0.00 35.95 37.99 1ioq h PHE 12 CO 0.02 0.55 0.22 -0.22 -0.18 0.00 0.00 178.31 178.71 1ioq h LYS 13 N 0.53 0.53 -0.29 1.51 3.64 -0.95 -1.68 116.57 119.87 1ioq h LYS 13 Ca 0.14 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1ioq h LYS 13 Cb 0.19 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1ioq h LYS 13 CO -0.01 0.41 0.04 -0.09 -2.27 0.00 0.00 179.45 177.53 1ioq h ARG 14 N 0.50 0.42 -0.09 1.90 2.43 -1.19 -1.36 114.38 116.99 1ioq h ARG 14 Ca 0.14 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1ioq h ARG 14 Cb 0.03 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1ioq h ARG 14 CO -0.02 0.41 0.00 0.72 -1.51 0.00 0.00 179.97 179.57 1ioq n HIS 15 N -4.35 0.12 -1.99 2.20 8.25 -0.69 -4.91 115.22 113.84 1ioq n HIS 15 Ca 0.01 -0.06 -0.05 0.00 -0.26 0.00 0.00 57.72 57.37 1ioq n HIS 15 Cb 0.19 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.29 1ioq n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ioq n GLY 16 N 0.71 0.24 0.11 -1.41 0.00 -0.51 -4.98 105.19 99.35 1ioq n GLY 16 Ca 0.06 -0.71 0.06 0.00 0.00 0.00 0.00 46.02 45.43 1ioq n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ioq h LEU 17 N 0.00 0.00 -9.19 0.99 3.38 -1.49 -3.40 115.31 105.59 1ioq h LEU 17 Ca -0.11 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.30 1ioq h LEU 17 Cb 1.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.76 1ioq h LEU 17 CO 0.13 0.29 1.34 -0.62 0.09 0.00 0.00 178.44 179.67 1ioq s ASP 18 N -5.65 6.02 -1.59 -0.43 2.15 -1.26 -1.56 116.67 114.35 1ioq s ASP 18 Ca -0.01 2.31 0.00 0.00 0.43 0.00 0.00 52.55 55.28 1ioq s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1ioq s ASP 18 CO 0.79 -1.45 0.00 0.59 -0.17 0.00 0.00 175.17 174.93 1ioq n ASN 19 N 9.35 -5.00 -4.69 -0.34 4.13 0.03 -4.91 115.26 113.83 1ioq n ASN 19 Ca 0.24 0.37 -0.42 0.00 1.68 0.00 0.00 54.58 56.45 1ioq n ASN 19 Cb 0.43 -3.81 -0.03 0.00 -1.54 0.00 0.00 39.78 34.82 1ioq n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1ioq s TYR 20 N -2.49 2.58 -1.62 3.10 5.04 -0.60 -0.76 117.35 122.60 1ioq s TYR 20 Ca 0.00 0.42 0.00 0.00 -2.44 0.00 0.00 57.07 55.05 1ioq s TYR 20 Cb 0.00 -3.93 0.00 0.00 0.35 0.00 0.00 41.96 38.38 1ioq s TYR 20 CO 0.00 -3.67 0.00 0.54 -1.34 0.00 0.00 175.55 171.08 1ioq n ARG 21 N 5.26 -1.81 -1.00 4.97 5.12 -1.26 -1.63 116.66 126.32 1ioq n ARG 21 Ca 0.15 0.92 0.00 0.00 -1.93 0.00 0.00 57.85 56.99 1ioq n ARG 21 Cb 0.40 -5.56 0.00 0.00 -1.16 0.00 0.00 32.46 26.15 1ioq n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ioq n GLY 22 N -0.94 0.60 3.49 -0.13 0.00 0.06 -5.02 105.19 103.24 1ioq n GLY 22 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1ioq n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ioq s TYR 23 N -2.42 3.23 0.97 1.61 2.02 -0.64 -4.89 117.35 117.23 1ioq s TYR 23 Ca 0.00 -0.42 -0.11 0.00 -0.37 0.00 0.00 57.07 56.18 1ioq s TYR 23 Cb 0.00 -2.49 0.18 0.00 -0.40 0.00 0.00 41.96 39.24 1ioq s TYR 23 CO 0.00 -0.46 1.12 -1.54 -1.57 0.00 0.00 175.55 173.10 1ioq s SER 24 N 1.69 2.49 0.32 2.29 1.04 -1.26 -0.79 113.70 119.47 1ioq s SER 24 Ca 0.05 2.07 0.05 0.00 0.48 0.00 0.00 55.95 58.59 1ioq s SER 24 Cb -0.18 -2.52 0.67 0.00 0.10 0.00 0.00 66.02 64.09 1ioq s SER 24 CO 0.10 -3.35 1.86 0.25 0.98 0.00 0.00 173.24 173.07 1ioq h LEU 25 N -2.04 0.81 -1.69 2.42 5.85 -1.91 -1.15 115.31 117.60 1ioq h LEU 25 Ca -0.47 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.34 1ioq h LEU 25 Cb 1.28 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1ioq h LEU 25 CO 0.43 0.43 0.30 1.23 -0.34 0.00 0.00 178.44 180.49 1ioq h GLY 26 N 0.86 0.48 0.94 3.75 0.00 -1.91 -2.08 103.07 105.11 1ioq h GLY 26 Ca 0.47 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1ioq h GLY 26 CO -0.23 0.13 0.15 3.43 0.00 0.00 0.00 176.54 180.02 1ioq h ASN 27 N 0.40 0.44 -0.43 0.19 2.35 -1.45 -0.55 115.58 116.52 1ioq h ASN 27 Ca 0.19 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 1ioq h ASN 27 Cb 0.25 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1ioq h ASN 27 CO -0.05 0.45 -0.06 -0.50 -1.65 0.00 0.00 177.43 175.63 1ioq h TRP 28 N 0.39 0.89 -0.63 1.19 4.06 -1.48 -0.80 115.95 119.58 1ioq h TRP 28 Ca 0.11 -0.18 -0.09 0.00 2.06 0.00 0.00 58.89 60.80 1ioq h TRP 28 Cb 0.13 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.05 1ioq h TRP 28 CO -0.01 0.89 0.05 0.28 -3.56 0.00 0.00 178.44 176.09 1ioq h VAL 29 N 0.64 1.26 -0.42 1.49 2.07 -1.33 -1.77 116.25 118.19 1ioq h VAL 29 Ca 0.12 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 1ioq h VAL 29 Cb 0.57 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1ioq h VAL 29 CO 0.03 0.40 0.15 0.00 0.02 0.00 0.00 177.57 178.18 1ioq h ALA 31 N 1.00 0.72 -0.58 0.00 0.00 -1.02 -2.46 119.26 116.91 1ioq h ALA 31 Ca 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ioq h ALA 31 Cb 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1ioq h ALA 31 CO -0.01 0.38 0.31 0.00 0.00 0.00 0.00 179.25 179.93 1ioq h ALA 32 N 1.04 0.75 0.04 0.00 0.00 -1.18 0.08 119.26 119.99 1ioq h ALA 32 Ca 0.18 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1ioq h ALA 32 Cb 0.27 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1ioq h ALA 32 CO -0.01 0.27 -0.28 -0.22 0.00 0.00 0.00 179.25 179.01 1ioq h LYS 33 N 0.79 -0.44 0.00 0.00 1.63 -0.97 -1.20 116.57 116.39 1ioq h LYS 33 Ca 0.20 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1ioq h LYS 33 Cb 0.06 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1ioq h LYS 33 CO -0.03 -0.29 -0.04 0.74 -3.45 0.00 0.00 179.45 176.38 1ioq h PHE 34 N -0.45 0.00 0.13 1.91 0.04 -1.31 0.12 116.94 117.38 1ioq h PHE 34 Ca 0.05 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.48 1ioq h PHE 34 Cb 0.52 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 1ioq h PHE 34 CO -0.30 0.00 -1.78 0.93 -0.60 0.00 0.00 178.31 176.57 1ioq h GLU 35 N 0.00 0.28 0.00 1.51 4.39 -0.83 -3.43 114.58 116.50 1ioq h GLU 35 Ca 0.00 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1ioq h GLU 35 Cb 0.82 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1ioq h GLU 35 CO 0.00 1.15 0.00 -1.13 -1.16 0.00 0.00 179.01 177.87 1ioq n SER 36 N -3.47 0.07 -2.37 1.42 3.41 -0.49 -4.82 113.62 107.37 1ioq n SER 36 Ca -0.24 -0.81 -0.19 0.00 -0.26 0.00 0.00 58.87 57.37 1ioq n SER 36 Cb 1.06 0.02 0.01 0.00 -0.26 0.00 0.00 64.21 65.04 1ioq n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ioq n ASN 37 N -0.02 -5.38 -1.17 4.04 5.15 0.43 -2.12 115.26 116.19 1ioq n ASN 37 Ca 0.00 -0.15 -0.14 0.00 -0.60 0.00 0.00 54.58 53.69 1ioq n ASN 37 Cb 0.18 -4.32 -0.05 0.00 -0.53 0.00 0.00 39.78 35.07 1ioq n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ioq n PHE 38 N -4.21 -0.13 -3.67 1.20 3.72 -1.19 -4.83 117.46 108.34 1ioq n PHE 38 Ca -0.15 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.87 1ioq n PHE 38 Cb 0.63 -2.58 -0.12 0.00 -0.94 0.00 0.00 39.48 36.47 1ioq n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ioq s ASN 39 N -2.76 5.47 0.56 4.37 3.84 -0.90 -0.63 114.94 124.89 1ioq s ASN 39 Ca 0.00 -0.76 0.28 0.00 0.21 0.00 0.00 52.86 52.58 1ioq s ASN 39 Cb 0.00 -1.97 1.65 0.00 -0.55 0.00 0.00 41.25 40.39 1ioq s ASN 39 CO 0.00 -0.26 2.18 0.71 -2.79 0.00 0.00 177.10 176.94 1ioq h THR 40 N 5.82 0.59 -0.01 -5.21 1.35 -1.58 -2.75 112.91 111.12 1ioq h THR 40 Ca -0.29 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1ioq h THR 40 Cb 1.12 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1ioq h THR 40 CO 0.63 0.04 -0.06 0.00 -0.25 0.00 0.00 175.52 175.88 1ioq n GLN 41 N -3.84 1.18 -1.86 4.72 6.02 -1.26 -3.90 117.38 118.44 1ioq n GLN 41 Ca -0.03 -0.53 -0.42 0.00 -0.01 0.00 0.00 57.00 56.02 1ioq n GLN 41 Cb 0.14 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.88 1ioq n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ioq s ALA 42 N -2.18 3.75 0.06 -1.58 0.00 -1.03 -4.82 121.76 115.96 1ioq s ALA 42 Ca 0.36 1.47 0.02 0.00 0.00 0.00 0.00 51.96 53.82 1ioq s ALA 42 Cb 0.21 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1ioq s ALA 42 CO 0.40 -0.87 -0.08 0.95 0.00 0.00 0.00 175.76 176.16 1ioq s THR 43 N 0.41 0.63 -0.20 0.00 -4.23 -1.26 -1.01 115.64 109.98 1ioq s THR 43 Ca 0.65 -1.37 -0.11 0.00 -1.18 0.00 0.00 61.69 59.69 1ioq s THR 43 Cb -0.46 -0.98 0.07 0.00 1.34 0.00 0.00 72.50 72.47 1ioq s THR 43 CO 0.41 -0.53 0.48 0.20 -0.54 0.00 0.00 174.62 174.64 1ioq s ASN 44 N -2.06 -0.60 0.12 3.99 0.01 -0.83 -4.97 114.94 110.59 1ioq s ASN 44 Ca -0.02 1.05 -0.14 0.00 -0.71 0.00 0.00 52.86 53.04 1ioq s ASN 44 Cb -0.05 0.99 -0.07 0.00 0.41 0.00 0.00 41.25 42.54 1ioq s ASN 44 CO -0.01 -0.21 0.52 -0.60 -1.51 0.00 0.00 177.10 175.29 1ioq s ARG 45 N 1.60 3.96 0.30 -0.60 3.52 -1.26 0.06 118.95 126.53 1ioq s ARG 45 Ca -0.09 0.46 0.07 0.00 -0.13 0.00 0.00 55.73 56.04 1ioq s ARG 45 Cb -0.08 -3.00 -0.02 0.00 -1.56 0.00 0.00 34.95 30.29 1ioq s ARG 45 CO -0.15 0.53 0.33 -0.80 -0.81 0.00 0.00 175.30 174.40 1ioq s ASN 46 N -1.61 5.71 0.50 -2.12 0.01 0.17 -4.96 114.94 112.65 1ioq s ASN 46 Ca 0.35 -0.26 0.20 0.00 -0.71 0.00 0.00 52.86 52.44 1ioq s ASN 46 Cb -0.15 -1.29 1.30 0.00 0.41 0.00 0.00 41.25 41.52 1ioq s ASN 46 CO 0.18 -0.26 2.09 0.71 -1.51 0.00 0.00 177.10 178.32 1ioq h THR 47 N 1.19 0.88 0.00 1.60 1.35 -1.99 -2.04 112.91 113.90 1ioq h THR 47 Ca -0.47 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1ioq h THR 47 Cb 1.25 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1ioq h THR 47 CO 0.58 0.09 0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 1ioq n ASP 48 N -4.16 0.00 0.00 5.36 5.75 -1.26 -4.86 116.55 117.38 1ioq n ASP 48 Ca -0.03 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 1ioq n ASP 48 Cb 0.18 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1ioq n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ioq n GLY 49 N 0.47 2.28 3.87 6.12 0.00 -0.77 -5.04 105.19 112.13 1ioq n GLY 49 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1ioq n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ioq s SER 50 N -2.68 4.15 0.03 1.61 1.04 -1.26 -4.80 113.70 111.79 1ioq s SER 50 Ca 0.00 0.80 0.02 0.00 0.48 0.00 0.00 55.95 57.25 1ioq s SER 50 Cb 0.00 -1.29 -0.02 0.00 0.10 0.00 0.00 66.02 64.81 1ioq s SER 50 CO 0.00 -2.13 -0.07 -0.89 0.98 0.00 0.00 173.24 171.12 1ioq s THR 51 N -3.51 0.54 -0.15 2.02 2.01 -1.26 -0.65 115.64 114.62 1ioq s THR 51 Ca 0.63 -0.85 -0.07 0.00 0.31 0.00 0.00 61.69 61.72 1ioq s THR 51 Cb -0.12 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 1ioq s THR 51 CO 0.50 -0.23 0.08 -1.81 -0.69 0.00 0.00 174.62 172.48 1ioq s ASP 52 N -1.17 5.84 -0.03 3.53 1.01 0.11 -1.20 116.67 124.75 1ioq s ASP 52 Ca -0.06 0.21 0.06 0.00 0.71 0.00 0.00 52.55 53.47 1ioq s ASP 52 Cb -0.08 -1.93 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 1ioq s ASP 52 CO 0.00 0.27 -0.22 -0.31 0.21 0.00 0.00 175.17 175.12 1ioq s TYR 53 N -0.17 2.04 0.00 4.23 1.51 0.07 -1.97 117.35 123.05 1ioq s TYR 53 Ca 0.08 -0.48 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 1ioq s TYR 53 Cb -0.12 -1.33 0.00 0.00 -0.11 0.00 0.00 41.96 40.40 1ioq s TYR 53 CO 0.01 -0.11 0.00 0.41 -1.11 0.00 0.00 175.55 174.76 1ioq n GLY 54 N 2.76 -1.67 0.37 0.71 0.00 -0.18 -1.54 105.19 105.64 1ioq n GLY 54 Ca -0.16 -1.31 0.11 0.00 0.00 0.00 0.00 46.02 44.65 1ioq n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ioq h ILE 55 N 0.00 0.87 -0.25 -0.61 6.09 -1.71 -1.28 117.51 120.61 1ioq h ILE 55 Ca 0.00 -0.24 0.00 0.00 -1.37 0.00 0.00 64.86 63.25 1ioq h ILE 55 Cb 0.00 0.11 0.00 0.00 0.47 0.00 0.00 36.82 37.40 1ioq h ILE 55 CO 0.00 0.13 0.00 0.49 -3.07 0.00 0.00 178.15 175.70 1ioq n PHE 56 N -4.54 0.31 -3.74 2.19 3.72 -1.26 -4.05 117.46 110.09 1ioq n PHE 56 Ca 0.16 -0.18 -0.25 0.00 -0.05 0.00 0.00 57.45 57.13 1ioq n PHE 56 Cb 0.43 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.99 1ioq n PHE 56 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1ioq n GLN 57 N 1.28 -3.20 -2.40 -1.08 1.13 -0.48 -4.91 117.38 107.71 1ioq n GLN 57 Ca 0.16 0.52 -0.42 0.00 -1.94 0.00 0.00 57.00 55.32 1ioq n GLN 57 Cb 0.55 -4.71 -0.03 0.00 0.11 0.00 0.00 30.24 26.16 1ioq n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ioq s ILE 58 N -3.68 3.89 0.13 5.09 1.01 -0.59 -4.33 121.20 122.72 1ioq s ILE 58 Ca 0.17 1.41 -0.30 0.00 0.00 0.00 0.00 60.65 61.93 1ioq s ILE 58 Cb -0.05 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 1ioq s ILE 58 CO 0.84 0.14 0.98 0.21 0.00 0.00 0.00 174.94 177.11 1ioq s ASN 59 N 0.79 7.48 0.17 3.58 3.84 -1.26 -0.75 114.94 128.79 1ioq s ASN 59 Ca 0.57 1.84 0.24 0.00 0.21 0.00 0.00 52.86 55.72 1ioq s ASN 59 Cb -0.30 -2.59 0.91 0.00 -0.55 0.00 0.00 41.25 38.71 1ioq s ASN 59 CO 0.31 -0.07 1.73 -1.54 -2.79 0.00 0.00 177.10 174.74 1ioq n SER 60 N 2.64 0.53 0.09 -4.21 3.41 -0.34 -1.58 113.62 114.15 1ioq n SER 60 Ca 0.02 0.59 -0.04 0.00 -0.26 0.00 0.00 58.87 59.18 1ioq n SER 60 Cb 0.49 -0.72 0.16 0.00 -0.26 0.00 0.00 64.21 63.88 1ioq n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ioq h ARG 61 N 0.00 0.23 0.00 4.33 2.43 -1.84 -3.40 114.38 116.13 1ioq h ARG 61 Ca 0.00 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1ioq h ARG 61 Cb 0.49 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1ioq h ARG 61 CO 0.00 0.70 -0.84 0.91 -1.51 0.00 0.00 179.97 179.22 1ioq n TRP 62 N -3.93 0.00 -0.09 2.20 7.02 -1.19 -1.22 117.44 120.23 1ioq n TRP 62 Ca -0.02 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.33 1ioq n TRP 62 Cb 0.56 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 29.31 1ioq n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1ioq n TRP 63 N -1.89 0.18 -4.14 -5.99 7.02 -0.62 -0.25 117.44 111.76 1ioq n TRP 63 Ca 0.00 0.06 -0.09 0.00 -1.02 0.00 0.00 57.50 56.44 1ioq n TRP 63 Cb 0.42 -1.03 -0.10 0.00 -2.42 0.00 0.00 31.31 28.18 1ioq n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ioq s ASN 65 N -3.02 5.53 0.00 0.00 2.47 -0.48 -4.45 114.94 114.98 1ioq s ASN 65 Ca 0.19 -0.07 0.08 0.00 0.42 0.00 0.00 52.86 53.47 1ioq s ASN 65 Cb 0.07 -1.99 0.16 0.00 -1.45 0.00 0.00 41.25 38.04 1ioq s ASN 65 CO -0.02 0.02 1.03 -0.90 -3.72 0.00 0.00 177.10 173.51 1ioq n ASP 66 N 4.59 2.31 0.00 -4.21 5.68 -1.26 -0.92 116.55 122.74 1ioq n ASP 66 Ca -0.16 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 1ioq n ASP 66 Cb 0.52 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 1ioq n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ioq n GLY 67 N 0.30 0.32 0.67 6.12 0.00 -1.26 -4.79 105.19 106.55 1ioq n GLY 67 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 1ioq n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ioq n ARG 68 N -1.26 0.00 -3.94 1.61 1.85 -1.26 -5.00 116.66 108.65 1ioq n ARG 68 Ca 0.00 -1.09 -0.31 0.00 -1.00 0.00 0.00 57.85 55.45 1ioq n ARG 68 Cb 0.18 -0.36 -0.15 0.00 -1.05 0.00 0.00 32.46 31.08 1ioq n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ioq s THR 69 N 0.00 1.89 0.17 8.89 2.01 -1.26 -4.92 115.64 122.41 1ioq s THR 69 Ca 0.06 -2.10 -0.33 0.00 0.31 0.00 0.00 61.69 59.63 1ioq s THR 69 Cb 0.06 -2.40 -0.12 0.00 0.01 0.00 0.00 72.50 70.05 1ioq s THR 69 CO -0.03 -0.63 1.70 -2.65 -0.69 0.00 0.00 174.62 172.32 1ioq n PRO 70 N 4.39 2.54 -0.98 4.92 -0.02 -1.26 -2.19 135.00 142.40 1ioq n PRO 70 Ca 0.02 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1ioq n PRO 70 Cb 0.42 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1ioq n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ioq n GLY 71 N 3.84 0.42 3.77 -1.23 0.00 -1.26 -5.01 105.19 105.72 1ioq n GLY 71 Ca 0.17 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 1ioq n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ioq s SER 72 N -2.73 6.37 0.11 1.61 0.15 -0.93 -4.90 113.70 113.38 1ioq s SER 72 Ca 0.00 2.80 0.23 0.00 0.70 0.00 0.00 55.95 59.68 1ioq s SER 72 Cb 0.00 -2.65 0.16 0.00 -1.71 0.00 0.00 66.02 61.82 1ioq s SER 72 CO 0.00 -0.83 1.14 0.54 1.20 0.00 0.00 173.24 175.30 1ioq n ARG 73 N 0.33 0.37 -4.15 5.44 1.74 -0.35 -4.97 116.66 115.06 1ioq n ARG 73 Ca 0.02 0.06 -0.31 0.00 -0.77 0.00 0.00 57.85 56.86 1ioq n ARG 73 Cb 0.42 -1.69 -0.06 0.00 -1.02 0.00 0.00 32.46 30.12 1ioq n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ioq n ASN 74 N -2.20 -0.19 0.28 0.55 5.15 -1.07 -4.86 115.26 112.92 1ioq n ASN 74 Ca 0.02 -1.18 0.12 0.00 -0.60 0.00 0.00 54.58 52.94 1ioq n ASN 74 Cb 0.47 -2.15 0.79 0.00 -0.53 0.00 0.00 39.78 38.37 1ioq n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ioq h LEU 75 N -1.89 0.00 -1.16 1.20 3.38 -0.59 0.49 115.31 116.73 1ioq h LEU 75 Ca -0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1ioq h LEU 75 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1ioq h LEU 75 CO 0.65 0.02 0.00 0.00 0.09 0.00 0.00 178.44 179.21 1ioq n ASN 77 N 0.41 -3.99 -3.67 0.00 3.02 0.16 -5.00 115.26 106.19 1ioq n ASN 77 Ca 0.18 -1.04 -0.13 0.00 -0.03 0.00 0.00 54.58 53.56 1ioq n ASN 77 Cb 0.40 -3.15 -0.07 0.00 -0.61 0.00 0.00 39.78 36.35 1ioq n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1ioq s ILE 78 N -3.59 0.05 0.31 2.41 -4.36 -1.26 -5.07 121.20 109.69 1ioq s ILE 78 Ca 0.36 -0.43 -0.28 0.00 -0.26 0.00 0.00 60.65 60.05 1ioq s ILE 78 Cb -0.14 -0.89 -0.09 0.00 1.25 0.00 0.00 42.46 42.59 1ioq s ILE 78 CO 0.88 -0.24 1.04 -2.16 0.24 0.00 0.00 174.94 174.70 1ioq s PRO 79 N -2.13 4.55 0.53 0.37 0.04 -1.26 -1.38 135.00 135.71 1ioq s PRO 79 Ca -0.07 1.61 0.24 0.00 0.04 0.00 0.00 61.00 62.81 1ioq s PRO 79 Cb -0.02 -2.98 1.40 0.00 0.04 0.00 0.00 34.50 32.94 1ioq s PRO 79 CO 0.00 0.18 2.03 0.00 0.04 0.00 0.00 177.00 179.25 1ioq h SER 81 N 0.00 0.00 0.08 0.00 4.64 -1.91 -1.22 113.55 115.14 1ioq h SER 81 Ca 0.20 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 1ioq h SER 81 Cb 0.82 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1ioq h SER 81 CO -0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.92 1ioq h ALA 82 N 1.99 1.60 0.00 5.18 0.00 -1.70 -1.66 119.26 124.68 1ioq h ALA 82 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ioq h ALA 82 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ioq h ALA 82 CO -0.00 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1ioq n LEU 83 N -4.01 0.00 -0.76 0.00 4.77 -0.46 -3.21 117.00 113.33 1ioq n LEU 83 Ca -0.03 0.15 0.09 0.00 -0.03 0.00 0.00 56.01 56.20 1ioq n LEU 83 Cb 0.12 -0.15 0.10 0.00 -2.33 0.00 0.00 43.42 41.16 1ioq n LEU 83 CO 0.30 -0.01 0.56 0.18 -1.33 0.00 0.00 177.39 177.09 1ioq n LEU 84 N -1.15 2.64 -4.76 2.23 4.77 -0.63 -4.05 117.00 116.05 1ioq n LEU 84 Ca 0.17 -1.16 -0.34 0.00 -0.03 0.00 0.00 56.01 54.64 1ioq n LEU 84 Cb 0.16 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1ioq n LEU 84 CO 0.19 0.50 0.78 -0.55 -1.33 0.00 0.00 177.39 176.99 1ioq s SER 85 N -1.40 5.27 0.33 -1.43 0.15 -1.20 -4.17 113.70 111.25 1ioq s SER 85 Ca 0.23 2.18 0.26 0.00 0.70 0.00 0.00 55.95 59.32 1ioq s SER 85 Cb 0.15 -2.58 1.07 0.00 -1.71 0.00 0.00 66.02 62.96 1ioq s SER 85 CO 0.23 -1.53 1.78 0.77 1.20 0.00 0.00 173.24 175.69 1ioq h SER 86 N 0.61 0.00 -3.58 5.45 4.64 -1.94 -3.38 113.55 115.34 1ioq h SER 86 Ca -0.49 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.19 1ioq h SER 86 Cb 1.27 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.22 1ioq h SER 86 CO 0.55 0.00 0.07 -0.62 -0.87 0.00 0.00 176.83 175.96 1ioq s ASP 87 N -4.65 6.38 0.00 4.97 -1.08 -1.26 -4.95 116.67 116.07 1ioq s ASP 87 Ca 0.04 0.02 0.28 0.00 -0.52 0.00 0.00 52.55 52.37 1ioq s ASP 87 Cb 0.09 -2.31 1.56 0.00 -1.46 0.00 0.00 42.92 40.81 1ioq s ASP 87 CO 0.44 -0.58 2.01 2.30 0.52 0.00 0.00 175.17 179.87 1ioq n ILE 88 N 5.56 0.05 -0.26 4.11 -5.35 -1.26 -4.37 119.36 117.85 1ioq n ILE 88 Ca -0.02 0.01 -0.02 0.00 -0.27 0.00 0.00 62.75 62.45 1ioq n ILE 88 Cb 0.49 -0.56 0.04 0.00 -1.74 0.00 0.00 39.64 37.87 1ioq n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ioq h THR 89 N 0.00 0.16 -0.36 7.28 2.02 -1.93 -0.27 112.91 119.82 1ioq h THR 89 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1ioq h THR 89 Cb 0.13 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 1ioq h THR 89 CO 0.00 0.00 0.19 0.00 0.37 0.00 0.00 175.52 176.08 1ioq h ALA 90 N 1.33 0.46 -0.48 6.16 0.00 -1.87 0.36 119.26 125.22 1ioq h ALA 90 Ca 0.30 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1ioq h ALA 90 Cb 0.56 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1ioq h ALA 90 CO -0.77 -0.00 0.22 0.77 0.00 0.00 0.00 179.25 179.47 1ioq h SER 91 N 0.44 0.31 -0.25 0.00 0.02 -1.59 -1.32 113.55 111.16 1ioq h SER 91 Ca 0.12 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1ioq h SER 91 Cb 0.08 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1ioq h SER 91 CO -0.02 0.22 0.09 0.58 -1.14 0.00 0.00 176.83 176.56 1ioq h VAL 92 N 0.44 1.18 -0.65 2.27 2.07 -0.74 -0.37 116.25 120.46 1ioq h VAL 92 Ca 0.21 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1ioq h VAL 92 Cb 0.14 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1ioq h VAL 92 CO -0.17 0.18 0.28 0.78 0.02 0.00 0.00 177.57 178.67 1ioq h ASN 93 N 0.24 0.85 -0.22 0.57 -0.26 -0.69 -1.49 115.58 114.58 1ioq h ASN 93 Ca 0.08 -0.10 -0.14 0.00 -0.56 0.00 0.00 56.30 55.58 1ioq h ASN 93 Cb 0.20 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 1ioq h ASN 93 CO -0.01 0.74 -0.40 0.00 -1.06 0.00 0.00 177.43 176.70 1ioq h ALA 95 N 0.62 1.51 -0.97 0.00 0.00 -0.74 -1.24 119.26 118.44 1ioq h ALA 95 Ca 0.01 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ioq h ALA 95 Cb 1.00 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1ioq h ALA 95 CO 0.09 0.40 0.64 0.87 0.00 0.00 0.00 179.25 181.26 1ioq h LYS 96 N 1.00 1.28 -0.42 0.00 1.57 -1.24 -0.25 116.57 118.52 1ioq h LYS 96 Ca 0.33 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.90 1ioq h LYS 96 Cb 0.06 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1ioq h LYS 96 CO -0.10 0.85 -0.24 0.87 -0.57 0.00 0.00 179.45 180.26 1ioq h LYS 97 N 1.32 0.91 -0.00 3.15 1.57 -1.16 -2.78 116.57 119.57 1ioq h LYS 97 Ca 0.35 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1ioq h LYS 97 Cb -0.15 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1ioq h LYS 97 CO -0.08 1.07 0.00 0.82 -0.57 0.00 0.00 179.45 180.69 1ioq h ILE 98 N 0.74 1.06 0.00 1.86 2.04 -0.80 -2.66 117.51 119.74 1ioq h ILE 98 Ca 0.09 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1ioq h ILE 98 Cb 0.82 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1ioq h ILE 98 CO 0.07 0.05 -0.10 1.62 0.00 0.00 0.00 178.15 179.79 1ioq h VAL 99 N -0.08 0.43 -0.00 1.67 3.04 -1.09 -0.76 116.25 119.46 1ioq h VAL 99 Ca 0.00 -0.50 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1ioq h VAL 99 Cb 0.08 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 1ioq h VAL 99 CO -0.00 0.09 -0.12 -1.20 -1.01 0.00 0.00 177.57 175.33 1ioq n SER 100 N -3.49 0.33 0.18 3.17 7.64 -1.04 -3.50 113.62 116.91 1ioq n SER 100 Ca -0.02 -0.30 0.13 0.00 1.01 0.00 0.00 58.87 59.69 1ioq n SER 100 Cb 0.24 -0.14 0.62 0.00 -1.01 0.00 0.00 64.21 63.93 1ioq n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1ioq h ASP 101 N 0.33 0.00 0.00 6.43 3.58 -0.80 -3.46 116.42 122.49 1ioq h ASP 101 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ioq h ASP 101 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1ioq h ASP 101 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1ioq n GLY 102 N -0.81 1.19 0.91 -0.78 0.00 -1.26 -4.92 105.19 99.53 1ioq n GLY 102 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1ioq n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ioq n ASN 103 N 0.00 2.93 0.00 1.61 4.13 -1.26 -5.07 115.26 117.60 1ioq n ASN 103 Ca 0.00 -1.91 0.00 0.00 1.68 0.00 0.00 54.58 54.35 1ioq n ASN 103 Cb 0.00 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 1ioq n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ioq n GLY 104 N 1.24 2.04 0.00 7.41 0.00 -1.23 -2.05 105.19 112.60 1ioq n GLY 104 Ca 0.14 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.81 1ioq n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ioq n MET 105 N 7.84 0.49 0.16 1.61 2.81 -1.26 -2.95 117.12 125.82 1ioq n MET 105 Ca 0.00 0.04 0.12 0.00 -1.81 0.00 0.00 57.70 56.05 1ioq n MET 105 Cb 0.00 -1.50 0.57 0.00 -0.71 0.00 0.00 33.22 31.58 1ioq n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1ioq h ASN 106 N 0.00 0.00 0.02 7.83 2.35 -1.83 -1.06 115.58 122.89 1ioq h ASN 106 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ioq h ASN 106 Cb 0.13 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1ioq h ASN 106 CO 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 177.43 175.77 1ioq h ALA 107 N 2.12 1.62 -2.43 -0.83 0.00 -1.68 -3.36 119.26 114.70 1ioq h ALA 107 Ca 0.00 -0.01 -0.73 0.00 0.00 0.00 0.00 54.91 54.17 1ioq h ALA 107 Cb 0.19 -0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.75 1ioq h ALA 107 CO 0.00 0.01 -0.38 -1.58 0.00 0.00 0.00 179.25 177.31 1ioq s TRP 108 N -4.70 3.25 0.28 0.00 0.51 -0.40 -4.97 118.94 112.92 1ioq s TRP 108 Ca -0.05 -0.90 0.02 0.00 -2.12 0.00 0.00 56.10 53.06 1ioq s TRP 108 Cb 0.15 -2.96 0.60 0.00 -0.81 0.00 0.00 33.47 30.46 1ioq s TRP 108 CO 0.58 -0.74 1.81 -0.24 -0.51 0.00 0.00 176.95 177.85 1ioq h VAL 109 N 5.76 0.83 0.00 4.03 3.04 -1.84 0.32 116.25 128.39 1ioq h VAL 109 Ca -0.27 -0.30 -0.08 0.00 -1.01 0.00 0.00 66.70 65.03 1ioq h VAL 109 Cb 1.11 -0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.26 1ioq h VAL 109 CO 0.82 0.16 -0.39 0.00 -1.01 0.00 0.00 177.57 177.14 1ioq h ALA 110 N 1.57 1.24 -0.02 3.17 0.00 -1.93 0.06 119.26 123.35 1ioq h ALA 110 Ca 0.52 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ioq h ALA 110 Cb 0.63 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ioq h ALA 110 CO -0.31 0.49 -0.02 2.35 0.00 0.00 0.00 179.25 181.76 1ioq h TRP 111 N 0.00 0.05 -0.40 0.00 7.01 -1.29 0.13 115.95 121.46 1ioq h TRP 111 Ca -0.00 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.02 1ioq h TRP 111 Cb 0.75 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.76 1ioq h TRP 111 CO 0.00 0.50 0.17 -0.09 -2.79 0.00 0.00 178.44 176.23 1ioq h ARG 112 N -0.40 0.34 0.00 2.65 2.43 -0.97 0.12 114.38 118.55 1ioq h ARG 112 Ca 0.00 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1ioq h ARG 112 Cb 0.49 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1ioq h ARG 112 CO 0.00 0.23 -0.47 -0.91 -1.51 0.00 0.00 179.97 177.31 1ioq h ASN 113 N 0.35 0.00 0.00 -3.80 2.35 -0.99 -3.37 115.58 110.13 1ioq h ASN 113 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1ioq h ASN 113 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1ioq h ASN 113 CO -0.16 0.15 0.00 0.54 -1.65 0.00 0.00 177.43 176.31 1ioq n ARG 114 N -3.00 3.50 -0.01 0.81 1.74 0.46 -4.88 116.66 115.27 1ioq n ARG 114 Ca 0.01 -0.06 -0.02 0.00 -0.77 0.00 0.00 57.85 57.01 1ioq n ARG 114 Cb 0.60 -0.42 -0.01 0.00 -1.02 0.00 0.00 32.46 31.61 1ioq n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ioq n LYS 116 N -2.79 1.31 -1.00 0.00 4.81 0.23 -1.34 118.16 119.38 1ioq n LYS 116 Ca -0.03 0.48 -0.00 0.00 -0.87 0.00 0.00 58.31 57.88 1ioq n LYS 116 Cb 0.53 -2.17 -0.00 0.00 0.02 0.00 0.00 35.03 33.41 1ioq n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ioq n GLY 117 N 3.57 0.41 3.89 3.14 0.00 -1.26 -4.97 105.19 109.97 1ioq n GLY 117 Ca 0.23 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 1ioq n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ioq s THR 118 N -1.81 2.52 -1.27 2.61 -4.23 -0.45 -5.01 115.64 108.00 1ioq s THR 118 Ca 0.00 -1.34 -0.19 0.00 -1.18 0.00 0.00 61.69 58.99 1ioq s THR 118 Cb 0.00 -2.85 0.02 0.00 1.34 0.00 0.00 72.50 71.01 1ioq s THR 118 CO 0.00 0.00 1.85 -0.67 -0.54 0.00 0.00 174.62 175.26 1ioq n ASP 119 N -1.62 4.30 0.11 3.99 2.03 -1.26 -4.76 116.55 119.34 1ioq n ASP 119 Ca 0.04 -2.85 0.11 0.00 0.52 0.00 0.00 54.79 52.60 1ioq n ASP 119 Cb 0.62 -1.71 0.46 0.00 -0.72 0.00 0.00 41.12 39.77 1ioq n ASP 119 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1ioq n VAL 120 N 6.55 0.90 0.26 5.18 0.24 -1.26 -2.32 118.33 127.87 1ioq n VAL 120 Ca 0.48 0.27 0.11 0.00 -2.04 0.00 0.00 64.34 63.16 1ioq n VAL 120 Cb 0.45 -1.18 0.68 0.00 -1.47 0.00 0.00 33.84 32.32 1ioq n VAL 120 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1ioq h GLN 121 N 0.00 0.00 -0.14 7.34 7.50 -1.89 -1.40 115.11 126.52 1ioq h GLN 121 Ca 0.00 0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.19 1ioq h GLN 121 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.84 1ioq h GLN 121 CO 0.00 0.12 0.11 0.00 -1.50 0.00 0.00 178.83 177.56 1ioq h ALA 122 N 1.88 2.06 0.00 3.87 0.00 -1.87 -2.32 119.26 122.88 1ioq h ALA 122 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ioq h ALA 122 Cb 0.28 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ioq h ALA 122 CO 0.02 -0.18 -0.02 -1.49 0.00 0.00 0.00 179.25 177.58 1ioq h TRP 123 N 0.00 0.00 -0.09 0.00 4.06 -1.47 -2.95 115.95 115.50 1ioq h TRP 123 Ca 0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.02 1ioq h TRP 123 Cb 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 1ioq h TRP 123 CO 0.00 0.02 0.00 0.44 -3.56 0.00 0.00 178.44 175.34 1ioq n ILE 124 N -3.15 0.53 -1.81 1.49 -5.35 -0.89 -4.83 119.36 105.35 1ioq n ILE 124 Ca -0.01 -0.77 -0.42 0.00 -0.27 0.00 0.00 62.75 61.29 1ioq n ILE 124 Cb 0.24 0.79 -0.03 0.00 -1.74 0.00 0.00 39.64 38.90 1ioq n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1ioq s ARG 125 N -0.74 4.16 0.00 6.28 3.52 -1.12 -2.35 118.95 128.70 1ioq s ARG 125 Ca 0.09 2.52 0.00 0.00 -0.13 0.00 0.00 55.73 58.21 1ioq s ARG 125 Cb 0.05 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.35 1ioq s ARG 125 CO 0.07 -0.68 0.00 0.41 -0.81 0.00 0.00 175.30 174.29 1ioq n GLY 126 N 3.56 1.84 3.78 8.12 0.00 -1.26 -5.04 105.19 116.19 1ioq n GLY 126 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1ioq n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ioq s ARG 128 N -1.40 3.55 0.00 0.00 3.52 -1.26 -5.13 118.95 118.23 1ioq s ARG 128 Ca 0.40 0.16 0.00 0.00 -0.13 0.00 0.00 55.73 56.16 1ioq s ARG 128 Cb -0.22 -3.91 0.00 0.00 -1.56 0.00 0.00 34.95 29.26 1ioq s ARG 128 CO 0.26 -1.16 0.31 1.28 -0.81 0.00 0.00 175.30 175.18