#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ior s VAL 2 N 0.00 4.54 0.56 3.15 1.01 -1.26 -1.07 120.40 127.32 1ior s VAL 2 Ca 0.00 -1.17 -0.18 0.00 0.00 0.00 0.00 61.98 60.64 1ior s VAL 2 Cb 0.00 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1ior s VAL 2 CO 0.00 -0.44 1.07 -0.36 0.00 0.00 0.00 175.10 175.37 1ior s PHE 3 N 1.51 2.90 0.45 5.22 0.40 -0.29 -5.00 117.98 123.16 1ior s PHE 3 Ca 0.03 1.54 -0.03 0.00 -0.60 0.00 0.00 56.93 57.87 1ior s PHE 3 Cb -0.22 -3.09 -0.03 0.00 0.51 0.00 0.00 43.02 40.19 1ior s PHE 3 CO 0.04 -1.16 0.72 0.20 0.70 0.00 0.00 175.22 175.72 1ior s GLY 4 N -2.35 1.46 0.10 4.36 0.00 -1.26 -4.85 107.32 104.77 1ior s GLY 4 Ca 0.67 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 44.43 1ior s GLY 4 CO 0.30 -0.51 1.62 -0.09 0.00 0.00 0.00 173.10 174.42 1ior h ARG 5 N 0.37 -0.63 0.00 2.90 2.43 -1.97 -1.47 114.38 116.02 1ior h ARG 5 Ca -0.48 0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.64 1ior h ARG 5 Cb 1.21 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 1ior h ARG 5 CO 0.61 -0.42 -0.48 0.00 -1.51 0.00 0.00 179.97 178.18 1ior h GLU 7 N 0.00 0.31 -0.24 0.00 4.81 -1.89 -1.84 114.58 115.73 1ior h GLU 7 Ca -0.00 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1ior h GLU 7 Cb 0.92 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1ior h GLU 7 CO 0.06 0.38 0.09 1.25 -0.73 0.00 0.00 179.01 180.06 1ior h LEU 8 N 0.17 0.33 -0.74 1.64 5.85 -1.17 -1.59 115.31 119.80 1ior h LEU 8 Ca 0.07 -0.18 0.13 0.00 0.84 0.00 0.00 57.88 58.74 1ior h LEU 8 Cb 0.19 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 1ior h LEU 8 CO -0.00 0.42 0.29 0.00 -0.34 0.00 0.00 178.44 178.81 1ior h ALA 9 N 0.92 1.02 -0.30 1.25 0.00 -1.27 0.99 119.26 121.88 1ior h ALA 9 Ca 0.08 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1ior h ALA 9 Cb 0.20 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ior h ALA 9 CO -0.00 -0.20 -0.43 0.00 0.00 0.00 0.00 179.25 178.61 1ior h ALA 10 N 1.53 0.67 -0.53 0.00 0.00 -1.16 -1.43 119.26 118.34 1ior h ALA 10 Ca 0.40 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1ior h ALA 10 Cb 0.59 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1ior h ALA 10 CO -0.39 0.67 -0.13 0.00 0.00 0.00 0.00 179.25 179.40 1ior h ALA 11 N 0.90 0.76 -0.40 0.00 0.00 -0.36 -1.74 119.26 118.42 1ior h ALA 11 Ca 0.04 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1ior h ALA 11 Cb 0.99 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1ior h ALA 11 CO 0.09 0.67 -0.02 -0.07 0.00 0.00 0.00 179.25 179.92 1ior h LEU 12 N 0.90 0.71 -0.30 0.00 3.38 -0.75 -1.64 115.31 117.60 1ior h LEU 12 Ca 0.14 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1ior h LEU 12 Cb 0.70 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1ior h LEU 12 CO 0.05 0.86 0.15 0.50 0.09 0.00 0.00 178.44 180.10 1ior h LYS 13 N 0.54 0.31 -0.67 1.13 3.64 -1.16 -1.47 116.57 118.89 1ior h LYS 13 Ca 0.11 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1ior h LYS 13 Cb 0.51 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1ior h LYS 13 CO 0.03 0.21 0.44 -0.09 -2.27 0.00 0.00 179.45 177.77 1ior h ARG 14 N 0.32 0.81 -0.48 1.90 2.43 -1.17 -0.26 114.38 117.93 1ior h ARG 14 Ca 0.13 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1ior h ARG 14 Cb 0.04 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1ior h ARG 14 CO -0.08 0.54 0.00 0.72 -1.51 0.00 0.00 179.97 179.63 1ior n HIS 15 N -4.45 0.24 -1.60 2.20 8.25 -0.63 -4.90 115.22 114.33 1ior n HIS 15 Ca 0.08 -0.09 -0.07 0.00 -0.26 0.00 0.00 57.72 57.38 1ior n HIS 15 Cb 0.10 -0.07 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 1ior n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ior n GLY 16 N 0.43 0.55 0.14 -1.41 0.00 -0.11 -4.96 105.19 99.82 1ior n GLY 16 Ca 0.04 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.46 1ior n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ior h LEU 17 N 0.00 0.00 -9.11 0.99 3.38 -1.50 -3.40 115.31 105.67 1ior h LEU 17 Ca -0.15 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.25 1ior h LEU 17 Cb 0.74 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.49 1ior h LEU 17 CO 0.20 0.17 1.40 -0.67 0.09 0.00 0.00 178.44 179.64 1ior n ASP 18 N -2.88 3.56 -0.94 -0.43 2.03 -1.26 -1.33 116.55 115.31 1ior n ASP 18 Ca -0.01 0.44 -0.12 0.00 0.52 0.00 0.00 54.79 55.62 1ior n ASP 18 Cb 0.63 -1.54 -0.05 0.00 -0.72 0.00 0.00 41.12 39.43 1ior n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1ior n ASN 19 N 10.25 -4.61 -4.69 1.67 4.13 0.33 -4.89 115.26 117.45 1ior n ASN 19 Ca 0.27 0.30 -0.42 0.00 1.68 0.00 0.00 54.58 56.41 1ior n ASN 19 Cb 0.43 -3.19 -0.03 0.00 -1.54 0.00 0.00 39.78 35.46 1ior n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1ior s TYR 20 N -2.41 2.66 -1.73 3.10 5.04 -0.44 -1.56 117.35 122.02 1ior s TYR 20 Ca 0.00 0.62 0.00 0.00 -2.44 0.00 0.00 57.07 55.25 1ior s TYR 20 Cb 0.00 -3.78 0.00 0.00 0.35 0.00 0.00 41.96 38.53 1ior s TYR 20 CO 0.00 -3.00 0.00 0.54 -1.34 0.00 0.00 175.55 171.75 1ior n ARG 21 N 5.54 -1.49 -0.76 4.97 3.00 -1.26 -1.77 116.66 124.89 1ior n ARG 21 Ca 0.14 0.98 0.00 0.00 -0.01 0.00 0.00 57.85 58.96 1ior n ARG 21 Cb 0.42 -5.50 0.00 0.00 0.00 0.00 0.00 32.46 27.39 1ior n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ior n GLY 22 N -0.93 0.84 3.49 -0.13 0.00 -0.60 -5.03 105.19 102.82 1ior n GLY 22 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1ior n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ior s TYR 23 N -3.28 3.22 0.87 1.61 2.02 -0.73 -4.89 117.35 116.17 1ior s TYR 23 Ca 0.00 -0.38 -0.12 0.00 -0.37 0.00 0.00 57.07 56.20 1ior s TYR 23 Cb 0.00 -2.66 0.12 0.00 -0.40 0.00 0.00 41.96 39.02 1ior s TYR 23 CO 0.00 -0.55 1.16 -1.13 -1.57 0.00 0.00 175.55 173.46 1ior n SER 24 N 5.29 0.64 -0.35 2.29 3.41 -1.26 -0.51 113.62 123.13 1ior n SER 24 Ca -0.10 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.13 1ior n SER 24 Cb 0.48 -1.49 0.31 0.00 -0.26 0.00 0.00 64.21 63.25 1ior n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ior h LEU 25 N -1.42 0.80 -1.80 1.04 5.85 -1.90 -0.57 115.31 117.31 1ior h LEU 25 Ca -0.45 0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.45 1ior h LEU 25 Cb 1.28 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1ior h LEU 25 CO 0.43 0.32 0.33 1.23 -0.34 0.00 0.00 178.44 180.41 1ior h GLY 26 N 0.80 0.32 0.94 3.75 0.00 -1.91 -1.96 103.07 105.01 1ior h GLY 26 Ca 0.56 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.75 1ior h GLY 26 CO -0.35 0.06 0.09 3.43 0.00 0.00 0.00 176.54 179.77 1ior h ASN 27 N 0.23 0.65 -0.31 0.19 2.35 -1.33 -1.35 115.58 116.01 1ior h ASN 27 Ca 0.22 -0.24 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 1ior h ASN 27 Cb 0.58 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1ior h ASN 27 CO -0.04 0.73 -0.13 -0.50 -1.65 0.00 0.00 177.43 175.83 1ior h TRP 28 N 0.54 0.74 -0.62 1.19 4.06 -1.45 -0.54 115.95 119.87 1ior h TRP 28 Ca 0.13 -0.18 -0.07 0.00 2.06 0.00 0.00 58.89 60.83 1ior h TRP 28 Cb 0.34 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.30 1ior h TRP 28 CO 0.02 0.86 0.10 0.28 -3.56 0.00 0.00 178.44 176.14 1ior h VAL 29 N 0.41 1.25 -0.36 1.49 2.07 -1.39 -1.29 116.25 118.44 1ior h VAL 29 Ca 0.07 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.54 1ior h VAL 29 Cb 0.65 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1ior h VAL 29 CO 0.04 0.37 -0.03 0.00 0.02 0.00 0.00 177.57 177.97 1ior h ALA 31 N 0.85 0.64 -0.70 0.00 0.00 -0.95 -2.21 119.26 116.88 1ior h ALA 31 Ca 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ior h ALA 31 Cb 0.50 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1ior h ALA 31 CO 0.02 0.11 0.38 0.00 0.00 0.00 0.00 179.25 179.76 1ior h ALA 32 N 1.16 0.90 0.03 0.00 0.00 -1.12 0.38 119.26 120.60 1ior h ALA 32 Ca 0.18 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ior h ALA 32 Cb -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1ior h ALA 32 CO -0.04 0.42 -0.13 -0.22 0.00 0.00 0.00 179.25 179.29 1ior h LYS 33 N 0.97 -0.22 0.00 0.00 1.63 -0.90 -1.19 116.57 116.86 1ior h LYS 33 Ca 0.25 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.03 1ior h LYS 33 Cb 0.05 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1ior h LYS 33 CO -0.04 -0.15 -0.21 0.74 -3.45 0.00 0.00 179.45 176.35 1ior h PHE 34 N -0.23 0.00 0.18 1.91 0.04 -1.30 -0.57 116.94 116.97 1ior h PHE 34 Ca 0.04 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.52 1ior h PHE 34 Cb 0.28 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.45 1ior h PHE 34 CO -0.18 0.16 -1.32 0.93 -0.60 0.00 0.00 178.31 177.30 1ior h GLU 35 N 0.00 0.39 0.00 1.51 4.39 -0.80 -3.42 114.58 116.64 1ior h GLU 35 Ca -0.00 -0.66 0.00 0.00 0.34 0.00 0.00 59.36 59.04 1ior h GLU 35 Cb 1.12 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1ior h GLU 35 CO 0.02 1.32 0.00 -1.13 -1.16 0.00 0.00 179.01 178.05 1ior n SER 36 N -3.86 0.22 -2.30 1.42 3.41 -0.49 -4.85 113.62 107.17 1ior n SER 36 Ca -0.19 -0.78 -0.18 0.00 -0.26 0.00 0.00 58.87 57.46 1ior n SER 36 Cb 0.98 0.08 0.01 0.00 -0.26 0.00 0.00 64.21 65.02 1ior n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ior n ASN 37 N -0.08 -5.24 -0.85 4.04 5.15 -0.22 -1.88 115.26 116.19 1ior n ASN 37 Ca 0.00 -0.15 -0.11 0.00 -0.60 0.00 0.00 54.58 53.72 1ior n ASN 37 Cb 0.13 -4.18 -0.05 0.00 -0.53 0.00 0.00 39.78 35.16 1ior n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ior n PHE 38 N -4.19 0.00 -3.56 1.20 3.72 -1.18 -4.85 117.46 108.60 1ior n PHE 38 Ca -0.14 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.86 1ior n PHE 38 Cb 0.62 -2.17 -0.11 0.00 -0.94 0.00 0.00 39.48 36.88 1ior n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ior s ASN 39 N -2.76 5.96 0.52 4.37 2.47 -0.79 -1.14 114.94 123.58 1ior s ASN 39 Ca 0.00 -0.41 0.26 0.00 0.42 0.00 0.00 52.86 53.13 1ior s ASN 39 Cb 0.00 -2.11 1.46 0.00 -1.45 0.00 0.00 41.25 39.15 1ior s ASN 39 CO 0.00 -0.21 2.09 0.71 -3.72 0.00 0.00 177.10 175.97 1ior h THR 40 N 5.51 0.62 -0.23 -5.21 1.35 -1.42 -2.77 112.91 110.76 1ior h THR 40 Ca -0.32 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1ior h THR 40 Cb 1.16 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1ior h THR 40 CO 0.62 0.11 0.00 0.00 -0.25 0.00 0.00 175.52 176.00 1ior n GLN 41 N -3.75 1.81 -2.15 4.72 6.02 -1.26 -3.98 117.38 118.80 1ior n GLN 41 Ca -0.02 -1.23 -0.42 0.00 -0.01 0.00 0.00 57.00 55.32 1ior n GLN 41 Cb 0.21 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 30.07 1ior n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ior s ALA 42 N -1.70 3.58 0.06 -1.58 0.00 -1.05 -4.83 121.76 116.25 1ior s ALA 42 Ca 0.31 1.17 0.03 0.00 0.00 0.00 0.00 51.96 53.47 1ior s ALA 42 Cb 0.17 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1ior s ALA 42 CO 0.24 -0.61 -0.10 0.95 0.00 0.00 0.00 175.76 176.24 1ior s THR 43 N 0.44 0.77 -0.16 0.00 -4.23 -1.26 -0.69 115.64 110.51 1ior s THR 43 Ca 0.60 -1.29 -0.08 0.00 -1.18 0.00 0.00 61.69 59.74 1ior s THR 43 Cb -0.38 -0.92 0.06 0.00 1.34 0.00 0.00 72.50 72.59 1ior s THR 43 CO 0.36 -0.40 0.38 0.20 -0.54 0.00 0.00 174.62 174.62 1ior s ASN 44 N -1.86 -0.45 0.08 3.99 0.01 -0.71 -4.96 114.94 111.04 1ior s ASN 44 Ca -0.04 0.83 -0.22 0.00 -0.71 0.00 0.00 52.86 52.72 1ior s ASN 44 Cb -0.08 0.73 -0.07 0.00 0.41 0.00 0.00 41.25 42.25 1ior s ASN 44 CO 0.01 -0.19 0.67 -0.60 -1.51 0.00 0.00 177.10 175.47 1ior s ARG 45 N 1.45 4.38 0.29 -0.60 6.06 -1.26 0.11 118.95 129.38 1ior s ARG 45 Ca -0.09 0.92 0.06 0.00 -2.50 0.00 0.00 55.73 54.12 1ior s ARG 45 Cb -0.09 -3.29 -0.02 0.00 0.06 0.00 0.00 34.95 31.61 1ior s ARG 45 CO -0.12 0.50 0.39 -0.80 -2.50 0.00 0.00 175.30 172.76 1ior s ASN 46 N -0.72 6.01 0.35 -2.12 0.01 0.11 -4.97 114.94 113.61 1ior s ASN 46 Ca 0.33 -0.12 0.02 0.00 -0.71 0.00 0.00 52.86 52.39 1ior s ASN 46 Cb -0.20 -1.47 0.64 0.00 0.41 0.00 0.00 41.25 40.63 1ior s ASN 46 CO 0.21 -0.25 2.01 0.71 -1.51 0.00 0.00 177.10 178.28 1ior h THR 47 N 1.09 1.16 0.00 1.60 1.35 -1.98 -1.57 112.91 114.55 1ior h THR 47 Ca -0.48 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1ior h THR 47 Cb 1.24 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1ior h THR 47 CO 0.57 0.16 0.00 -0.90 -0.25 0.00 0.00 175.52 175.10 1ior n ASP 48 N -4.44 0.00 0.00 5.36 5.68 -1.26 -4.84 116.55 117.05 1ior n ASP 48 Ca 0.06 -1.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.30 1ior n ASP 48 Cb 0.04 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1ior n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ior n GLY 49 N 0.29 1.42 3.92 6.12 0.00 -0.59 -5.04 105.19 111.31 1ior n GLY 49 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1ior n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ior s SER 50 N -3.05 4.11 0.03 1.61 1.04 -1.26 -4.79 113.70 111.38 1ior s SER 50 Ca 0.00 0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.90 1ior s SER 50 Cb 0.00 -0.83 -0.02 0.00 0.10 0.00 0.00 66.02 65.28 1ior s SER 50 CO 0.00 -2.10 -0.06 -0.89 0.98 0.00 0.00 173.24 171.17 1ior s THR 51 N -3.57 0.46 -0.13 2.02 2.01 -1.26 -0.71 115.64 114.46 1ior s THR 51 Ca 0.66 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 61.82 1ior s THR 51 Cb -0.08 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1ior s THR 51 CO 0.49 -0.22 0.11 -1.81 -0.69 0.00 0.00 174.62 172.50 1ior s ASP 52 N -1.08 6.15 -0.03 3.53 1.01 0.12 -1.01 116.67 125.36 1ior s ASP 52 Ca -0.06 0.36 0.04 0.00 0.71 0.00 0.00 52.55 53.60 1ior s ASP 52 Cb -0.07 -1.98 -0.01 0.00 1.01 0.00 0.00 42.92 41.87 1ior s ASP 52 CO 0.00 0.36 -0.16 -0.31 0.21 0.00 0.00 175.17 175.27 1ior s TYR 53 N -0.71 1.54 0.00 4.23 1.51 -0.06 -1.74 117.35 122.12 1ior s TYR 53 Ca 0.13 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 1ior s TYR 53 Cb -0.12 -1.03 0.00 0.00 -0.11 0.00 0.00 41.96 40.70 1ior s TYR 53 CO 0.03 -0.12 0.00 0.41 -1.11 0.00 0.00 175.55 174.76 1ior n GLY 54 N 3.03 -1.88 0.39 0.71 0.00 0.13 -1.57 105.19 106.00 1ior n GLY 54 Ca -0.17 -1.35 0.17 0.00 0.00 0.00 0.00 46.02 44.67 1ior n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ior h ILE 55 N 0.00 0.67 -0.28 -0.61 6.09 -1.71 -0.52 117.51 121.16 1ior h ILE 55 Ca 0.00 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 1ior h ILE 55 Cb 0.00 0.08 0.00 0.00 0.47 0.00 0.00 36.82 37.37 1ior h ILE 55 CO 0.00 0.10 0.00 0.49 -3.07 0.00 0.00 178.15 175.67 1ior n PHE 56 N -4.61 0.35 -3.78 2.19 0.99 -1.26 -4.05 117.46 107.30 1ior n PHE 56 Ca 0.21 -0.22 -0.27 0.00 -0.00 0.00 0.00 57.45 57.17 1ior n PHE 56 Cb 0.67 -0.00 0.02 0.00 -1.00 0.00 0.00 39.48 39.17 1ior n PHE 56 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1ior n GLN 57 N 1.19 -2.60 -2.50 -1.08 1.13 -0.20 -4.91 117.38 108.41 1ior n GLN 57 Ca 0.15 0.47 -0.42 0.00 -1.94 0.00 0.00 57.00 55.26 1ior n GLN 57 Cb 0.52 -4.46 -0.03 0.00 0.11 0.00 0.00 30.24 26.38 1ior n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ior s ILE 58 N -3.68 4.28 0.14 5.09 1.01 -0.61 -4.33 121.20 123.10 1ior s ILE 58 Ca 0.22 1.63 -0.30 0.00 0.00 0.00 0.00 60.65 62.21 1ior s ILE 58 Cb -0.08 -4.05 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 1ior s ILE 58 CO 0.86 0.11 1.03 0.21 0.00 0.00 0.00 174.94 177.15 1ior s ASN 59 N 1.11 7.39 0.44 3.58 3.84 -1.26 -0.88 114.94 129.15 1ior s ASN 59 Ca 0.56 1.92 0.29 0.00 0.21 0.00 0.00 52.86 55.85 1ior s ASN 59 Cb -0.27 -2.59 1.13 0.00 -0.55 0.00 0.00 41.25 38.97 1ior s ASN 59 CO 0.28 -0.14 1.86 0.77 -2.79 0.00 0.00 177.10 177.08 1ior h SER 60 N 5.42 0.00 -0.32 -4.21 4.64 -1.32 -2.14 113.55 115.62 1ior h SER 60 Ca -0.43 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 1ior h SER 60 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1ior h SER 60 CO 0.72 0.00 0.11 -0.09 -0.87 0.00 0.00 176.83 176.70 1ior h ARG 61 N 0.00 0.58 0.00 4.77 2.43 -1.83 -3.39 114.38 116.93 1ior h ARG 61 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1ior h ARG 61 Cb 0.54 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1ior h ARG 61 CO 0.00 0.52 -0.76 0.91 -1.51 0.00 0.00 179.97 179.13 1ior n TRP 62 N -4.34 0.00 -0.09 2.20 7.02 -1.20 -1.17 117.44 119.86 1ior n TRP 62 Ca 0.02 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.38 1ior n TRP 62 Cb 0.18 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 28.93 1ior n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1ior n TRP 63 N -1.59 0.23 -4.08 -5.99 7.02 -0.81 0.18 117.44 112.40 1ior n TRP 63 Ca 0.00 0.07 -0.08 0.00 -1.02 0.00 0.00 57.50 56.47 1ior n TRP 63 Cb 0.34 -1.04 -0.10 0.00 -2.42 0.00 0.00 31.31 28.09 1ior n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ior s ASN 65 N -2.96 5.67 0.00 0.00 2.47 -0.52 -4.40 114.94 115.20 1ior s ASN 65 Ca 0.14 0.02 0.05 0.00 0.42 0.00 0.00 52.86 53.49 1ior s ASN 65 Cb 0.07 -2.00 0.07 0.00 -1.45 0.00 0.00 41.25 37.94 1ior s ASN 65 CO -0.05 0.09 0.81 -0.90 -3.72 0.00 0.00 177.10 173.32 1ior n ASP 66 N 4.10 1.74 -0.08 -4.21 5.75 -1.26 -0.97 116.55 121.63 1ior n ASP 66 Ca -0.16 -1.47 -0.01 0.00 -0.01 0.00 0.00 54.79 53.14 1ior n ASP 66 Cb 0.52 -0.03 -0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1ior n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ior n GLY 67 N 0.16 0.35 0.58 6.12 0.00 -1.26 -4.80 105.19 106.34 1ior n GLY 67 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ior n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ior n ARG 68 N -1.29 0.00 -3.94 1.61 1.85 -1.26 -4.99 116.66 108.64 1ior n ARG 68 Ca -0.01 -0.95 -0.30 0.00 -1.00 0.00 0.00 57.85 55.59 1ior n ARG 68 Cb 0.24 -0.39 -0.14 0.00 -1.05 0.00 0.00 32.46 31.12 1ior n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ior s THR 69 N 0.00 2.52 0.11 8.89 2.01 -1.26 -4.90 115.64 123.01 1ior s THR 69 Ca 0.02 -3.25 -0.36 0.00 0.31 0.00 0.00 61.69 58.42 1ior s THR 69 Cb 0.03 -2.75 -0.16 0.00 0.01 0.00 0.00 72.50 69.62 1ior s THR 69 CO -0.01 -0.80 1.38 -2.65 -0.69 0.00 0.00 174.62 171.85 1ior n PRO 70 N 3.18 1.40 -1.73 4.92 -0.02 -1.26 -2.26 135.00 139.22 1ior n PRO 70 Ca 0.05 0.50 -0.15 0.00 -2.02 0.00 0.00 63.50 61.89 1ior n PRO 70 Cb 0.33 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 1ior n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ior n GLY 71 N 2.67 0.87 3.89 -1.23 0.00 -1.26 -5.01 105.19 105.12 1ior n GLY 71 Ca 0.18 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1ior n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ior s SER 72 N -2.66 5.11 -0.02 1.61 1.04 -0.96 -5.05 113.70 112.77 1ior s SER 72 Ca 0.00 0.97 0.18 0.00 0.48 0.00 0.00 55.95 57.58 1ior s SER 72 Cb 0.00 -1.67 -0.27 0.00 0.10 0.00 0.00 66.02 64.19 1ior s SER 72 CO 0.00 -1.53 0.43 0.54 0.98 0.00 0.00 173.24 173.66 1ior n ARG 73 N -3.09 0.62 -3.83 4.02 5.12 -0.32 -4.98 116.66 114.20 1ior n ARG 73 Ca 0.07 -0.15 -0.27 0.00 -1.93 0.00 0.00 57.85 55.57 1ior n ARG 73 Cb 0.59 -1.41 0.01 0.00 -1.16 0.00 0.00 32.46 30.48 1ior n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1ior n ASN 74 N -2.04 -2.22 0.25 0.55 5.15 -0.96 -4.89 115.26 111.09 1ior n ASN 74 Ca -0.03 -0.99 0.12 0.00 -0.60 0.00 0.00 54.58 53.08 1ior n ASN 74 Cb 0.44 -3.26 0.67 0.00 -0.53 0.00 0.00 39.78 37.10 1ior n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ior h LEU 75 N -1.88 0.00 -0.88 1.20 3.38 -0.26 -2.02 115.31 114.85 1ior h LEU 75 Ca -0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1ior h LEU 75 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1ior h LEU 75 CO 0.56 0.14 -0.06 0.00 0.09 0.00 0.00 178.44 179.18 1ior n ASN 77 N 0.01 -3.09 -3.66 0.00 3.02 -0.76 -4.99 115.26 105.78 1ior n ASN 77 Ca 0.17 -0.83 -0.13 0.00 -0.03 0.00 0.00 54.58 53.76 1ior n ASN 77 Cb 0.36 -4.18 -0.06 0.00 -0.61 0.00 0.00 39.78 35.28 1ior n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1ior s ILE 78 N -3.56 0.05 0.31 2.41 -4.36 -1.26 -5.07 121.20 109.72 1ior s ILE 78 Ca 0.19 -0.43 -0.28 0.00 -0.26 0.00 0.00 60.65 59.87 1ior s ILE 78 Cb -0.05 -0.92 -0.09 0.00 1.25 0.00 0.00 42.46 42.65 1ior s ILE 78 CO 0.80 -0.24 1.04 -2.16 0.24 0.00 0.00 174.94 174.62 1ior s PRO 79 N -2.31 4.54 0.57 0.37 0.04 -1.26 -1.44 135.00 135.51 1ior s PRO 79 Ca -0.06 1.60 0.27 0.00 0.04 0.00 0.00 61.00 62.84 1ior s PRO 79 Cb -0.01 -2.97 1.57 0.00 0.04 0.00 0.00 34.50 33.13 1ior s PRO 79 CO -0.01 0.17 2.09 0.00 0.04 0.00 0.00 177.00 179.29 1ior h SER 81 N 0.00 0.00 0.14 0.00 4.64 -1.91 -0.91 113.55 115.51 1ior h SER 81 Ca 0.11 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1ior h SER 81 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1ior h SER 81 CO -0.00 0.11 -0.09 0.00 -0.87 0.00 0.00 176.83 175.98 1ior h ALA 82 N 1.89 1.63 0.00 5.18 0.00 -1.60 -1.93 119.26 124.43 1ior h ALA 82 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ior h ALA 82 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ior h ALA 82 CO 0.01 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.65 1ior n LEU 83 N -4.10 0.00 -0.65 0.00 4.77 -0.35 -2.95 117.00 113.73 1ior n LEU 83 Ca -0.03 0.19 0.08 0.00 -0.03 0.00 0.00 56.01 56.22 1ior n LEU 83 Cb 0.17 -0.19 0.09 0.00 -2.33 0.00 0.00 43.42 41.15 1ior n LEU 83 CO 0.32 -0.06 0.52 0.18 -1.33 0.00 0.00 177.39 177.02 1ior n LEU 84 N -1.19 2.42 -4.73 2.23 4.77 -0.72 -4.02 117.00 115.75 1ior n LEU 84 Ca 0.12 -1.16 -0.33 0.00 -0.03 0.00 0.00 56.01 54.61 1ior n LEU 84 Cb 0.14 -0.05 0.10 0.00 -2.33 0.00 0.00 43.42 41.27 1ior n LEU 84 CO 0.15 0.47 0.74 -0.55 -1.33 0.00 0.00 177.39 176.87 1ior s SER 85 N -1.22 4.23 0.52 -1.43 0.15 -1.15 -4.14 113.70 110.65 1ior s SER 85 Ca 0.20 2.13 0.30 0.00 0.70 0.00 0.00 55.95 59.28 1ior s SER 85 Cb 0.13 -2.56 1.10 0.00 -1.71 0.00 0.00 66.02 62.98 1ior s SER 85 CO 0.19 -2.23 1.89 0.77 1.20 0.00 0.00 173.24 175.06 1ior h SER 86 N -0.69 0.00 -3.56 5.45 4.64 -1.94 -3.40 113.55 114.05 1ior h SER 86 Ca -0.46 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.25 1ior h SER 86 Cb 1.27 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.24 1ior h SER 86 CO 0.49 0.03 0.37 -0.62 -0.87 0.00 0.00 176.83 176.23 1ior s ASP 87 N -5.86 6.51 0.00 4.97 -1.08 -1.26 -4.94 116.67 115.02 1ior s ASP 87 Ca 0.02 0.23 0.31 0.00 -0.52 0.00 0.00 52.55 52.60 1ior s ASP 87 Cb 0.08 -2.39 1.86 0.00 -1.46 0.00 0.00 42.92 41.01 1ior s ASP 87 CO 0.58 -0.78 2.20 2.30 0.52 0.00 0.00 175.17 179.99 1ior n ILE 88 N 5.88 0.00 -0.24 4.11 -5.35 -1.26 -4.33 119.36 118.17 1ior n ILE 88 Ca 0.03 -0.01 0.04 0.00 -0.27 0.00 0.00 62.75 62.55 1ior n ILE 88 Cb 0.48 -0.47 0.15 0.00 -1.74 0.00 0.00 39.64 38.07 1ior n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ior h THR 89 N 0.05 0.45 -0.18 7.28 2.02 -1.94 0.21 112.91 120.79 1ior h THR 89 Ca 0.00 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1ior h THR 89 Cb 0.01 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1ior h THR 89 CO 0.00 0.03 0.08 0.00 0.37 0.00 0.00 175.52 176.00 1ior h ALA 90 N 1.63 0.24 -0.69 6.16 0.00 -1.87 0.47 119.26 125.19 1ior h ALA 90 Ca 0.39 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1ior h ALA 90 Cb 0.67 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1ior h ALA 90 CO -0.57 -0.18 0.40 0.77 0.00 0.00 0.00 179.25 179.67 1ior h SER 91 N 0.15 0.61 -0.27 0.00 0.02 -1.62 -1.11 113.55 111.35 1ior h SER 91 Ca 0.06 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1ior h SER 91 Cb 0.15 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1ior h SER 91 CO -0.01 0.40 0.04 0.58 -1.14 0.00 0.00 176.83 176.71 1ior h VAL 92 N 0.75 1.23 -0.71 2.27 2.07 -0.65 0.43 116.25 121.63 1ior h VAL 92 Ca 0.30 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1ior h VAL 92 Cb 0.15 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1ior h VAL 92 CO -0.17 0.25 0.29 0.78 0.02 0.00 0.00 177.57 178.75 1ior h ASN 93 N 0.26 0.97 -0.28 0.57 -0.26 -0.63 -1.58 115.58 114.62 1ior h ASN 93 Ca 0.08 -0.14 -0.17 0.00 -0.56 0.00 0.00 56.30 55.51 1ior h ASN 93 Cb 0.34 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.35 1ior h ASN 93 CO 0.01 0.86 -0.49 0.00 -1.06 0.00 0.00 177.43 176.75 1ior h ALA 95 N 0.68 1.52 -0.92 0.00 0.00 -0.51 -0.68 119.26 119.35 1ior h ALA 95 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ior h ALA 95 Cb 1.09 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1ior h ALA 95 CO 0.11 0.44 0.54 0.87 0.00 0.00 0.00 179.25 181.20 1ior h LYS 96 N 0.87 1.25 -0.32 0.00 1.57 -1.20 -0.03 116.57 118.71 1ior h LYS 96 Ca 0.23 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 1ior h LYS 96 Cb -0.08 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 31.97 1ior h LYS 96 CO -0.05 0.89 -0.18 0.87 -0.57 0.00 0.00 179.45 180.41 1ior h LYS 97 N 1.27 0.68 -0.14 3.15 1.57 -1.02 -2.66 116.57 119.43 1ior h LYS 97 Ca 0.33 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1ior h LYS 97 Cb -0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1ior h LYS 97 CO -0.06 0.91 0.08 0.82 -0.57 0.00 0.00 179.45 180.63 1ior h ILE 98 N 0.45 1.09 0.00 1.86 2.04 -0.82 -2.67 117.51 119.45 1ior h ILE 98 Ca 0.07 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1ior h ILE 98 Cb 0.72 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1ior h ILE 98 CO 0.05 0.08 -0.06 1.62 0.00 0.00 0.00 178.15 179.84 1ior h VAL 99 N 0.14 0.25 -0.00 1.67 3.04 -1.02 -0.83 116.25 119.50 1ior h VAL 99 Ca 0.05 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1ior h VAL 99 Cb 0.06 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 1ior h VAL 99 CO -0.01 0.06 -0.13 -1.20 -1.01 0.00 0.00 177.57 175.28 1ior n SER 100 N -3.31 0.51 0.00 3.17 7.64 -1.00 -3.64 113.62 116.99 1ior n SER 100 Ca -0.01 -0.55 0.05 0.00 1.01 0.00 0.00 58.87 59.36 1ior n SER 100 Cb 0.24 -0.06 0.27 0.00 -1.01 0.00 0.00 64.21 63.65 1ior n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ior n ASP 101 N -0.96 0.00 0.00 6.43 2.03 -0.32 -4.84 116.55 118.89 1ior n ASP 101 Ca 0.14 -0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1ior n ASP 101 Cb 0.29 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1ior n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ior n GLY 102 N -0.43 2.14 0.49 0.27 0.00 -1.26 -4.85 105.19 101.55 1ior n GLY 102 Ca 0.06 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.07 1ior n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ior n ASN 103 N 0.09 1.68 0.00 1.61 5.15 -1.26 -5.05 115.26 117.48 1ior n ASN 103 Ca 0.00 -1.40 0.00 0.00 -0.60 0.00 0.00 54.58 52.58 1ior n ASN 103 Cb 0.00 0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 1ior n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ior n GLY 104 N 1.29 2.01 0.00 8.20 0.00 -1.24 -2.43 105.19 113.02 1ior n GLY 104 Ca 0.15 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.80 1ior n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ior n MET 105 N 7.18 0.55 0.07 1.61 2.81 -1.26 -3.02 117.12 125.05 1ior n MET 105 Ca 0.00 0.03 0.08 0.00 -1.81 0.00 0.00 57.70 56.00 1ior n MET 105 Cb 0.00 -1.50 0.35 0.00 -0.71 0.00 0.00 33.22 31.36 1ior n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ior n ASN 106 N -1.16 0.31 0.29 7.83 3.02 -1.02 -1.31 115.26 123.22 1ior n ASN 106 Ca 0.15 0.60 0.16 0.00 -0.03 0.00 0.00 54.58 55.46 1ior n ASN 106 Cb 0.15 -0.66 0.89 0.00 -0.61 0.00 0.00 39.78 39.56 1ior n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ior h ALA 107 N 2.23 1.28 -2.61 5.41 0.00 -1.70 -3.37 119.26 120.50 1ior h ALA 107 Ca 0.00 -0.04 -0.72 0.00 0.00 0.00 0.00 54.91 54.15 1ior h ALA 107 Cb 0.18 -0.01 -0.25 0.00 0.00 0.00 0.00 17.79 17.72 1ior h ALA 107 CO 0.00 0.06 -0.43 -1.58 0.00 0.00 0.00 179.25 177.30 1ior s TRP 108 N -4.29 3.27 0.35 0.00 0.51 -0.43 -4.98 118.94 113.38 1ior s TRP 108 Ca -0.04 -1.10 0.07 0.00 -2.12 0.00 0.00 56.10 52.91 1ior s TRP 108 Cb 0.13 -2.86 0.77 0.00 -0.81 0.00 0.00 33.47 30.70 1ior s TRP 108 CO 0.53 -0.76 1.88 -0.24 -0.51 0.00 0.00 176.95 177.86 1ior h VAL 109 N 5.88 0.88 -0.12 4.03 3.04 -1.85 -0.59 116.25 127.53 1ior h VAL 109 Ca -0.26 -0.26 -0.11 0.00 -1.01 0.00 0.00 66.70 65.07 1ior h VAL 109 Cb 1.10 0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 1ior h VAL 109 CO 0.77 0.14 -0.41 0.00 -1.01 0.00 0.00 177.57 177.05 1ior h ALA 110 N 1.59 1.07 -0.24 3.17 0.00 -1.93 -1.15 119.26 121.78 1ior h ALA 110 Ca 0.43 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ior h ALA 110 Cb 0.61 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1ior h ALA 110 CO -0.19 0.60 -0.03 2.35 0.00 0.00 0.00 179.25 181.97 1ior h TRP 111 N 0.23 0.49 -0.60 0.00 7.01 -1.44 0.56 115.95 122.19 1ior h TRP 111 Ca 0.02 -0.10 0.00 0.00 2.11 0.00 0.00 58.89 60.92 1ior h TRP 111 Cb 0.83 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.74 1ior h TRP 111 CO 0.02 0.65 0.38 -0.09 -2.79 0.00 0.00 178.44 176.60 1ior h ARG 112 N 0.19 0.81 0.00 2.65 2.43 -1.10 0.40 114.38 119.76 1ior h ARG 112 Ca 0.06 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1ior h ARG 112 Cb 0.47 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1ior h ARG 112 CO 0.02 0.56 -0.69 -0.91 -1.51 0.00 0.00 179.97 177.44 1ior h ASN 113 N 0.82 0.00 0.00 -3.80 2.35 -1.16 -3.36 115.58 110.43 1ior h ASN 113 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1ior h ASN 113 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1ior h ASN 113 CO -0.04 0.03 -0.03 0.54 -1.65 0.00 0.00 177.43 176.28 1ior n ARG 114 N -2.83 3.87 -0.02 0.81 1.74 0.18 -4.88 116.66 115.52 1ior n ARG 114 Ca 0.01 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.05 1ior n ARG 114 Cb 0.56 -0.31 -0.02 0.00 -1.02 0.00 0.00 32.46 31.67 1ior n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ior n LYS 116 N -2.80 1.82 -1.01 0.00 4.81 0.12 -1.51 118.16 119.59 1ior n LYS 116 Ca -0.09 0.66 -0.00 0.00 -0.87 0.00 0.00 58.31 58.01 1ior n LYS 116 Cb 0.59 -2.43 -0.00 0.00 0.02 0.00 0.00 35.03 33.20 1ior n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ior n GLY 117 N 3.93 0.45 3.87 3.14 0.00 -1.26 -4.96 105.19 110.37 1ior n GLY 117 Ca 0.22 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1ior n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ior s THR 118 N -1.90 3.04 -1.12 2.61 -4.23 -0.57 -5.00 115.64 108.48 1ior s THR 118 Ca 0.00 -1.35 -0.21 0.00 -1.18 0.00 0.00 61.69 58.96 1ior s THR 118 Cb 0.00 -3.08 -0.07 0.00 1.34 0.00 0.00 72.50 70.70 1ior s THR 118 CO 0.00 -0.07 1.93 -0.67 -0.54 0.00 0.00 174.62 175.26 1ior n ASP 119 N -1.48 3.35 0.16 3.99 2.03 -1.26 -4.70 116.55 118.64 1ior n ASP 119 Ca 0.01 -2.75 0.12 0.00 0.52 0.00 0.00 54.79 52.70 1ior n ASP 119 Cb 0.61 -1.55 0.58 0.00 -0.72 0.00 0.00 41.12 40.04 1ior n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1ior h VAL 120 N 5.32 0.00 0.00 5.18 -1.51 -1.90 -2.06 116.25 121.28 1ior h VAL 120 Ca 0.36 -0.14 -0.03 0.00 -1.23 0.00 0.00 66.70 65.67 1ior h VAL 120 Cb 0.81 0.79 -0.00 0.00 -2.13 0.00 0.00 31.29 30.75 1ior h VAL 120 CO 1.56 0.00 -0.14 1.56 -1.23 0.00 0.00 177.57 179.32 1ior h GLN 121 N 0.00 0.00 -0.02 5.19 7.50 -1.88 -1.77 115.11 124.12 1ior h GLN 121 Ca 0.00 0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.16 1ior h GLN 121 Cb 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.73 1ior h GLN 121 CO 0.00 0.14 0.03 0.00 -1.50 0.00 0.00 178.83 177.50 1ior h ALA 122 N 1.86 1.49 0.00 3.87 0.00 -1.77 -2.43 119.26 122.28 1ior h ALA 122 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ior h ALA 122 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ior h ALA 122 CO 0.02 -0.04 0.00 -1.49 0.00 0.00 0.00 179.25 177.74 1ior h TRP 123 N 0.00 0.00 -0.02 0.00 4.06 -1.53 -3.01 115.95 115.45 1ior h TRP 123 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1ior h TRP 123 Cb 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.23 1ior h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1ior n ILE 124 N -3.07 0.04 -1.69 1.49 -5.35 -0.93 -4.83 119.36 105.02 1ior n ILE 124 Ca 0.01 -0.52 -0.45 0.00 -0.27 0.00 0.00 62.75 61.52 1ior n ILE 124 Cb 0.33 1.15 -0.03 0.00 -1.74 0.00 0.00 39.64 39.35 1ior n ILE 124 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1ior n ARG 125 N 0.48 2.29 -0.36 6.28 0.63 -1.13 -1.84 116.66 123.00 1ior n ARG 125 Ca 0.05 0.82 0.00 0.00 -0.92 0.00 0.00 57.85 57.80 1ior n ARG 125 Cb 0.22 -2.58 0.00 0.00 0.45 0.00 0.00 32.46 30.55 1ior n ARG 125 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ior n GLY 126 N 3.14 1.56 3.81 5.14 0.00 -1.26 -5.03 105.19 112.54 1ior n GLY 126 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1ior n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ior s ARG 128 N -1.65 3.33 0.00 0.00 6.06 -1.26 -5.13 118.95 120.30 1ior s ARG 128 Ca 0.38 -0.23 0.00 0.00 -2.50 0.00 0.00 55.73 53.38 1ior s ARG 128 Cb -0.18 -4.08 0.00 0.00 0.06 0.00 0.00 34.95 30.75 1ior s ARG 128 CO 0.21 -1.63 0.40 1.28 -2.50 0.00 0.00 175.30 173.07