#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iot s VAL 2 N 0.00 4.79 0.66 3.15 1.01 -1.26 -1.46 120.40 127.30 1iot s VAL 2 Ca 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 1iot s VAL 2 Cb 0.00 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 1iot s VAL 2 CO 0.00 -0.30 1.07 -0.36 0.00 0.00 0.00 175.10 175.51 1iot s PHE 3 N 1.59 2.97 0.42 5.22 0.40 -0.03 -5.00 117.98 123.55 1iot s PHE 3 Ca 0.03 1.48 -0.01 0.00 -0.60 0.00 0.00 56.93 57.83 1iot s PHE 3 Cb -0.20 -2.97 -0.02 0.00 0.51 0.00 0.00 43.02 40.34 1iot s PHE 3 CO 0.07 -1.29 0.66 0.20 0.70 0.00 0.00 175.22 175.57 1iot s GLY 4 N -3.29 1.45 0.09 4.36 0.00 -1.26 -4.87 107.32 103.81 1iot s GLY 4 Ca 0.61 -0.83 -0.31 0.00 0.00 0.00 0.00 44.72 44.19 1iot s GLY 4 CO 0.47 -0.70 1.62 -0.09 0.00 0.00 0.00 173.10 174.40 1iot h ARG 5 N 0.47 -0.72 0.00 2.90 2.43 -1.97 -1.42 114.38 116.08 1iot h ARG 5 Ca -0.48 0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.64 1iot h ARG 5 Cb 1.23 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 1iot h ARG 5 CO 0.60 -0.48 -0.48 0.00 -1.51 0.00 0.00 179.97 178.10 1iot h GLU 7 N 0.00 0.44 -0.38 0.00 4.81 -1.93 -1.86 114.58 115.67 1iot h GLU 7 Ca -0.00 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 1iot h GLU 7 Cb 0.88 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1iot h GLU 7 CO 0.06 0.51 0.02 1.25 -0.73 0.00 0.00 179.01 180.13 1iot h LEU 8 N 0.29 0.64 -0.55 1.64 5.85 -1.11 -1.27 115.31 120.80 1iot h LEU 8 Ca 0.09 -0.29 0.10 0.00 0.84 0.00 0.00 57.88 58.62 1iot h LEU 8 Cb 0.26 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 1iot h LEU 8 CO -0.00 0.78 0.07 0.00 -0.34 0.00 0.00 178.44 178.95 1iot h ALA 9 N 0.89 0.60 -0.46 1.25 0.00 -1.21 0.12 119.26 120.44 1iot h ALA 9 Ca 0.11 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1iot h ALA 9 Cb 0.44 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1iot h ALA 9 CO 0.02 -0.34 0.07 0.00 0.00 0.00 0.00 179.25 178.99 1iot h ALA 10 N 1.46 0.61 -0.65 0.00 0.00 -1.18 -0.99 119.26 118.51 1iot h ALA 10 Ca 0.28 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1iot h ALA 10 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1iot h ALA 10 CO -0.40 0.34 0.06 0.00 0.00 0.00 0.00 179.25 179.25 1iot h ALA 11 N 0.95 0.88 -0.56 0.00 0.00 -0.44 -1.39 119.26 118.70 1iot h ALA 11 Ca 0.14 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1iot h ALA 11 Cb 0.40 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1iot h ALA 11 CO 0.01 0.67 0.12 -0.07 0.00 0.00 0.00 179.25 179.98 1iot h LEU 12 N 1.02 0.87 -0.36 0.00 3.38 -0.66 -1.74 115.31 117.82 1iot h LEU 12 Ca 0.19 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1iot h LEU 12 Cb 0.49 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1iot h LEU 12 CO 0.02 0.89 0.16 0.50 0.09 0.00 0.00 178.44 180.10 1iot h LYS 13 N 0.81 0.54 -0.08 1.13 3.64 -1.03 -1.50 116.57 120.09 1iot h LYS 13 Ca 0.17 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1iot h LYS 13 Cb 0.37 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1iot h LYS 13 CO 0.01 0.51 -0.06 -0.09 -2.27 0.00 0.00 179.45 177.54 1iot h ARG 14 N 0.45 0.11 -0.50 1.90 2.43 -1.10 -0.98 114.38 116.69 1iot h ARG 14 Ca 0.12 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1iot h ARG 14 Cb 0.16 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1iot h ARG 14 CO -0.01 0.18 0.00 0.72 -1.51 0.00 0.00 179.97 179.35 1iot n HIS 15 N -4.40 0.49 -1.06 2.20 8.25 -0.67 -4.91 115.22 115.13 1iot n HIS 15 Ca -0.02 -0.20 -0.02 0.00 -0.26 0.00 0.00 57.72 57.22 1iot n HIS 15 Cb 0.18 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 1iot n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1iot n GLY 16 N 0.63 0.54 0.12 -1.41 0.00 -0.37 -4.97 105.19 99.72 1iot n GLY 16 Ca 0.09 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 45.26 1iot n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1iot h LEU 17 N 0.00 0.00 -9.10 0.99 3.38 -1.44 -3.40 115.31 105.73 1iot h LEU 17 Ca -0.04 -0.07 -0.56 0.00 0.09 0.00 0.00 57.88 57.30 1iot h LEU 17 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1iot h LEU 17 CO 0.06 0.03 1.27 -0.62 0.09 0.00 0.00 178.44 179.28 1iot s ASP 18 N -5.10 6.10 -0.96 -0.43 2.15 -1.26 -1.93 116.67 115.23 1iot s ASP 18 Ca 0.04 1.99 0.00 0.00 0.43 0.00 0.00 52.55 55.00 1iot s ASP 18 Cb 0.10 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1iot s ASP 18 CO 0.74 -1.43 0.00 0.59 -0.17 0.00 0.00 175.17 174.89 1iot n ASN 19 N 9.25 -4.28 -4.70 -0.34 4.13 -0.23 -4.90 115.26 114.19 1iot n ASN 19 Ca 0.23 0.22 -0.42 0.00 1.68 0.00 0.00 54.58 56.29 1iot n ASN 19 Cb 0.44 -2.58 -0.03 0.00 -1.54 0.00 0.00 39.78 36.07 1iot n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1iot s TYR 20 N -2.27 2.93 -1.59 3.10 5.04 -0.81 -1.95 117.35 121.80 1iot s TYR 20 Ca 0.00 0.80 -0.01 0.00 -2.44 0.00 0.00 57.07 55.42 1iot s TYR 20 Cb 0.00 -3.71 0.00 0.00 0.35 0.00 0.00 41.96 38.61 1iot s TYR 20 CO 0.00 -2.59 0.10 0.54 -1.34 0.00 0.00 175.55 172.26 1iot n ARG 21 N 4.91 -2.32 -0.82 4.97 5.12 -1.26 -1.72 116.66 125.54 1iot n ARG 21 Ca 0.13 0.89 0.00 0.00 -1.93 0.00 0.00 57.85 56.94 1iot n ARG 21 Cb 0.43 -5.58 0.00 0.00 -1.16 0.00 0.00 32.46 26.15 1iot n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1iot n GLY 22 N -1.05 0.88 3.49 -0.13 0.00 -0.82 -5.02 105.19 102.54 1iot n GLY 22 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1iot n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iot s TYR 23 N -3.48 3.20 0.90 1.61 2.02 -0.70 -4.91 117.35 116.00 1iot s TYR 23 Ca 0.00 -0.34 -0.10 0.00 -0.37 0.00 0.00 57.07 56.26 1iot s TYR 23 Cb 0.00 -2.73 0.14 0.00 -0.40 0.00 0.00 41.96 38.97 1iot s TYR 23 CO 0.00 -0.58 1.14 -1.54 -1.57 0.00 0.00 175.55 173.00 1iot s SER 24 N 1.75 3.05 0.29 2.29 1.04 -1.26 -1.07 113.70 119.79 1iot s SER 24 Ca 0.10 2.17 0.03 0.00 0.48 0.00 0.00 55.95 58.73 1iot s SER 24 Cb -0.17 -2.56 0.63 0.00 0.10 0.00 0.00 66.02 64.01 1iot s SER 24 CO 0.12 -3.02 1.80 0.25 0.98 0.00 0.00 173.24 173.38 1iot h LEU 25 N -1.79 0.83 -1.62 2.42 5.85 -1.91 -1.18 115.31 117.92 1iot h LEU 25 Ca -0.43 0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.48 1iot h LEU 25 Cb 1.27 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 1iot h LEU 25 CO 0.42 0.37 0.45 1.23 -0.34 0.00 0.00 178.44 180.57 1iot h GLY 26 N 0.86 0.61 0.97 3.75 0.00 -1.91 -1.67 103.07 105.69 1iot h GLY 26 Ca 0.53 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 1iot h GLY 26 CO -0.33 0.08 0.17 3.43 0.00 0.00 0.00 176.54 179.90 1iot h ASN 27 N 0.40 0.69 -0.43 0.19 2.35 -1.46 -1.53 115.58 115.80 1iot h ASN 27 Ca 0.32 -0.19 -0.13 0.00 -0.55 0.00 0.00 56.30 55.75 1iot h ASN 27 Cb 0.69 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1iot h ASN 27 CO -0.09 0.69 -0.23 -0.50 -1.65 0.00 0.00 177.43 175.65 1iot h TRP 28 N 0.65 1.05 -0.40 1.19 4.06 -1.39 -1.11 115.95 120.00 1iot h TRP 28 Ca 0.16 -0.27 -0.15 0.00 2.06 0.00 0.00 58.89 60.69 1iot h TRP 28 Cb 0.23 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1iot h TRP 28 CO 0.01 1.07 -0.34 0.28 -3.56 0.00 0.00 178.44 175.90 1iot h VAL 29 N 0.74 1.27 -0.26 1.49 2.07 -1.36 -1.58 116.25 118.63 1iot h VAL 29 Ca 0.09 -1.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.08 1iot h VAL 29 Cb 0.80 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1iot h VAL 29 CO 0.07 0.51 0.08 0.00 0.02 0.00 0.00 177.57 178.24 1iot h ALA 31 N 0.90 1.16 -0.33 0.00 0.00 -1.16 -2.42 119.26 117.42 1iot h ALA 31 Ca 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1iot h ALA 31 Cb 0.25 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1iot h ALA 31 CO -0.00 0.67 0.11 0.00 0.00 0.00 0.00 179.25 180.02 1iot h ALA 32 N 1.27 0.43 -0.17 0.00 0.00 -1.13 -0.21 119.26 119.46 1iot h ALA 32 Ca 0.32 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1iot h ALA 32 Cb 0.03 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1iot h ALA 32 CO -0.05 0.06 -0.24 -0.22 0.00 0.00 0.00 179.25 178.80 1iot h LYS 33 N 0.38 -0.28 0.00 0.00 1.63 -1.11 -0.94 116.57 116.24 1iot h LYS 33 Ca 0.11 0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.82 1iot h LYS 33 Cb 0.24 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 1iot h LYS 33 CO -0.00 -0.18 -0.52 0.74 -3.45 0.00 0.00 179.45 176.03 1iot h PHE 34 N -0.29 0.00 0.04 1.91 0.04 -1.40 0.39 116.94 117.64 1iot h PHE 34 Ca 0.11 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.70 1iot h PHE 34 Cb 0.46 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.63 1iot h PHE 34 CO -0.36 0.52 -0.74 0.93 -0.60 0.00 0.00 178.31 178.05 1iot h GLU 35 N 0.00 0.43 0.00 1.51 4.39 -0.86 -3.42 114.58 116.64 1iot h GLU 35 Ca -0.01 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1iot h GLU 35 Cb 1.37 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 1iot h GLU 35 CO 0.07 1.18 0.00 -1.13 -1.16 0.00 0.00 179.01 177.96 1iot n SER 36 N -4.13 0.15 -2.20 1.42 3.41 -0.40 -4.86 113.62 107.01 1iot n SER 36 Ca -0.11 -0.54 -0.16 0.00 -0.26 0.00 0.00 58.87 57.79 1iot n SER 36 Cb 0.75 0.18 0.02 0.00 -0.26 0.00 0.00 64.21 64.90 1iot n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1iot n ASN 37 N -0.18 -4.90 -0.74 4.04 5.15 0.13 -2.41 115.26 116.35 1iot n ASN 37 Ca 0.00 -0.18 -0.10 0.00 -0.60 0.00 0.00 54.58 53.70 1iot n ASN 37 Cb 0.08 -3.80 -0.04 0.00 -0.53 0.00 0.00 39.78 35.49 1iot n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1iot n PHE 38 N -4.16 0.00 -3.64 1.20 3.72 -1.21 -4.86 117.46 108.52 1iot n PHE 38 Ca -0.10 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.91 1iot n PHE 38 Cb 0.60 -1.94 -0.11 0.00 -0.94 0.00 0.00 39.48 37.08 1iot n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1iot s ASN 39 N -2.78 5.64 0.52 4.37 2.47 -1.01 -0.85 114.94 123.30 1iot s ASN 39 Ca 0.00 -0.46 0.26 0.00 0.42 0.00 0.00 52.86 53.09 1iot s ASN 39 Cb 0.00 -2.03 1.43 0.00 -1.45 0.00 0.00 41.25 39.20 1iot s ASN 39 CO 0.00 -0.18 2.07 0.71 -3.72 0.00 0.00 177.10 175.98 1iot h THR 40 N 5.61 0.61 -0.17 -5.21 1.35 -1.57 -2.84 112.91 110.70 1iot h THR 40 Ca -0.33 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1iot h THR 40 Cb 1.15 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1iot h THR 40 CO 0.61 0.12 0.00 0.00 -0.25 0.00 0.00 175.52 176.00 1iot n GLN 41 N -3.71 1.77 -2.08 4.72 6.02 -1.26 -3.95 117.38 118.89 1iot n GLN 41 Ca -0.02 -1.16 -0.41 0.00 -0.01 0.00 0.00 57.00 55.40 1iot n GLN 41 Cb 0.23 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.06 1iot n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iot s ALA 42 N -1.79 3.57 0.03 -1.58 0.00 -1.07 -4.83 121.76 116.09 1iot s ALA 42 Ca 0.33 1.27 0.01 0.00 0.00 0.00 0.00 51.96 53.57 1iot s ALA 42 Cb 0.18 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1iot s ALA 42 CO 0.27 -0.68 -0.05 0.95 0.00 0.00 0.00 175.76 176.25 1iot s THR 43 N -0.29 0.32 -0.12 0.00 -4.23 -1.26 -1.05 115.64 109.02 1iot s THR 43 Ca 0.56 -0.87 -0.05 0.00 -1.18 0.00 0.00 61.69 60.15 1iot s THR 43 Cb -0.40 -0.40 0.05 0.00 1.34 0.00 0.00 72.50 73.09 1iot s THR 43 CO 0.45 -0.36 0.27 0.20 -0.54 0.00 0.00 174.62 174.63 1iot s ASN 44 N -1.31 -0.10 0.12 3.99 0.01 -0.81 -4.97 114.94 111.87 1iot s ASN 44 Ca -0.11 0.58 -0.18 0.00 -0.71 0.00 0.00 52.86 52.44 1iot s ASN 44 Cb -0.09 0.53 -0.07 0.00 0.41 0.00 0.00 41.25 42.04 1iot s ASN 44 CO -0.00 -0.19 0.60 -0.60 -1.51 0.00 0.00 177.10 175.40 1iot s ARG 45 N 1.63 4.18 0.32 -0.60 3.52 -1.26 -0.00 118.95 126.73 1iot s ARG 45 Ca -0.06 0.72 0.06 0.00 -0.13 0.00 0.00 55.73 56.32 1iot s ARG 45 Cb -0.11 -3.12 -0.02 0.00 -1.56 0.00 0.00 34.95 30.15 1iot s ARG 45 CO -0.09 0.56 0.42 -0.80 -0.81 0.00 0.00 175.30 174.58 1iot s ASN 46 N -1.34 5.93 0.34 -2.12 0.01 0.52 -4.97 114.94 113.32 1iot s ASN 46 Ca 0.33 -0.19 0.03 0.00 -0.71 0.00 0.00 52.86 52.32 1iot s ASN 46 Cb -0.18 -1.31 0.61 0.00 0.41 0.00 0.00 41.25 40.78 1iot s ASN 46 CO 0.20 -0.35 1.95 0.71 -1.51 0.00 0.00 177.10 178.11 1iot h THR 47 N 1.01 1.17 0.00 1.60 1.35 -1.99 -1.63 112.91 114.43 1iot h THR 47 Ca -0.47 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1iot h THR 47 Cb 1.25 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1iot h THR 47 CO 0.55 0.20 0.00 -0.90 -0.25 0.00 0.00 175.52 175.12 1iot n ASP 48 N -4.38 0.00 0.00 5.36 5.68 -1.26 -4.82 116.55 117.13 1iot n ASP 48 Ca 0.05 -0.85 0.00 0.00 -0.50 0.00 0.00 54.79 53.49 1iot n ASP 48 Cb 0.12 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1iot n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iot n GLY 49 N 0.20 1.47 3.92 6.12 0.00 -0.61 -5.04 105.19 111.25 1iot n GLY 49 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1iot n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iot s SER 50 N -2.61 3.55 0.01 1.61 1.04 -1.26 -4.80 113.70 111.24 1iot s SER 50 Ca 0.00 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.84 1iot s SER 50 Cb 0.00 -0.59 -0.01 0.00 0.10 0.00 0.00 66.02 65.51 1iot s SER 50 CO 0.00 -2.47 -0.02 -0.89 0.98 0.00 0.00 173.24 170.84 1iot s THR 51 N -3.79 0.07 -0.13 2.02 2.01 -1.26 -0.35 115.64 114.21 1iot s THR 51 Ca 0.70 -0.59 -0.07 0.00 0.31 0.00 0.00 61.69 62.05 1iot s THR 51 Cb -0.06 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 1iot s THR 51 CO 0.52 -0.32 0.11 -1.81 -0.69 0.00 0.00 174.62 172.43 1iot s ASP 52 N -0.94 6.13 -0.03 3.53 1.01 1.00 -1.22 116.67 126.15 1iot s ASP 52 Ca -0.10 0.35 0.05 0.00 0.71 0.00 0.00 52.55 53.56 1iot s ASP 52 Cb -0.06 -1.98 -0.01 0.00 1.01 0.00 0.00 42.92 41.88 1iot s ASP 52 CO -0.01 0.35 -0.17 -0.31 0.21 0.00 0.00 175.17 175.24 1iot s TYR 53 N -0.66 1.69 0.00 4.23 1.51 0.17 -1.93 117.35 122.36 1iot s TYR 53 Ca 0.13 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1iot s TYR 53 Cb -0.12 -1.12 0.00 0.00 -0.11 0.00 0.00 41.96 40.61 1iot s TYR 53 CO 0.02 -0.12 0.00 0.41 -1.11 0.00 0.00 175.55 174.75 1iot n GLY 54 N 2.99 -2.33 0.35 0.71 0.00 -0.21 -1.57 105.19 105.12 1iot n GLY 54 Ca -0.17 -1.58 0.15 0.00 0.00 0.00 0.00 46.02 44.42 1iot n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1iot h ILE 55 N 0.00 0.84 -0.37 -0.61 2.10 -1.68 -0.83 117.51 116.96 1iot h ILE 55 Ca 0.00 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.90 1iot h ILE 55 Cb 0.00 0.70 0.00 0.00 -1.09 0.00 0.00 36.82 36.43 1iot h ILE 55 CO 0.00 0.02 0.00 0.18 -1.08 0.00 0.00 178.15 177.27 1iot n LEU 56 N -4.44 3.00 -3.78 2.19 4.77 -1.26 -4.04 117.00 113.44 1iot n LEU 56 Ca 0.07 -1.86 -0.32 0.00 -0.03 0.00 0.00 56.01 53.87 1iot n LEU 56 Cb 0.43 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1iot n LEU 56 CO 0.35 0.73 -0.12 0.00 -1.33 0.00 0.00 177.39 177.03 1iot n GLN 57 N 0.75 -1.61 -2.64 3.23 1.13 -0.32 -4.92 117.38 113.00 1iot n GLN 57 Ca 0.13 0.40 -0.41 0.00 -1.94 0.00 0.00 57.00 55.18 1iot n GLN 57 Cb 0.45 -4.05 -0.04 0.00 0.11 0.00 0.00 30.24 26.71 1iot n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1iot s ILE 58 N -3.58 4.38 0.17 5.09 1.01 -0.61 -4.37 121.20 123.28 1iot s ILE 58 Ca 0.37 1.89 -0.30 0.00 0.00 0.00 0.00 60.65 62.61 1iot s ILE 58 Cb -0.14 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 38.05 1iot s ILE 58 CO 0.88 0.25 0.93 0.21 0.00 0.00 0.00 174.94 177.21 1iot s ASN 59 N 0.32 7.55 0.33 3.58 3.84 -1.26 -0.66 114.94 128.64 1iot s ASN 59 Ca 0.50 1.84 0.26 0.00 0.21 0.00 0.00 52.86 55.67 1iot s ASN 59 Cb -0.25 -2.59 0.87 0.00 -0.55 0.00 0.00 41.25 38.73 1iot s ASN 59 CO 0.30 0.05 1.76 0.77 -2.79 0.00 0.00 177.10 177.20 1iot h SER 60 N 4.90 0.00 -0.02 -4.21 4.64 -1.41 -2.06 113.55 115.38 1iot h SER 60 Ca -0.44 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 1iot h SER 60 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1iot h SER 60 CO 0.70 0.00 -0.20 -0.09 -0.87 0.00 0.00 176.83 176.37 1iot h ARG 61 N 0.00 0.38 0.00 4.77 2.43 -1.84 -3.39 114.38 116.73 1iot h ARG 61 Ca 0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1iot h ARG 61 Cb 0.64 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1iot h ARG 61 CO 0.00 0.57 -0.87 0.91 -1.51 0.00 0.00 179.97 179.07 1iot n TRP 62 N -4.18 0.00 -0.07 2.20 7.02 -1.22 -0.76 117.44 120.43 1iot n TRP 62 Ca -0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.35 1iot n TRP 62 Cb 0.35 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.10 1iot n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1iot n TRP 63 N -2.06 0.45 -4.12 -5.99 7.02 -0.78 0.17 117.44 112.14 1iot n TRP 63 Ca 0.00 0.14 -0.08 0.00 -1.02 0.00 0.00 57.50 56.54 1iot n TRP 63 Cb 0.44 -1.07 -0.10 0.00 -2.42 0.00 0.00 31.31 28.15 1iot n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1iot s ASN 65 N -2.97 5.62 0.00 0.00 2.47 -0.28 -4.40 114.94 115.38 1iot s ASN 65 Ca 0.13 -0.00 0.06 0.00 0.42 0.00 0.00 52.86 53.47 1iot s ASN 65 Cb 0.08 -1.99 0.09 0.00 -1.45 0.00 0.00 41.25 37.97 1iot s ASN 65 CO -0.06 0.08 0.83 -0.90 -3.72 0.00 0.00 177.10 173.33 1iot n ASP 66 N 4.20 1.82 0.00 -4.21 5.68 -1.26 -0.48 116.55 122.30 1iot n ASP 66 Ca -0.16 -1.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 1iot n ASP 66 Cb 0.52 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1iot n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iot n GLY 67 N 0.26 0.51 1.09 6.12 0.00 -1.26 -4.81 105.19 107.10 1iot n GLY 67 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.09 1iot n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1iot n ARG 68 N -1.83 0.07 -3.82 1.61 1.85 -1.26 -4.97 116.66 108.30 1iot n ARG 68 Ca 0.00 -1.69 -0.30 0.00 -1.00 0.00 0.00 57.85 54.86 1iot n ARG 68 Cb 0.08 -0.25 -0.14 0.00 -1.05 0.00 0.00 32.46 31.09 1iot n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1iot s THR 69 N -0.14 1.73 0.10 8.89 2.01 -1.26 -4.90 115.64 122.06 1iot s THR 69 Ca 0.22 -2.50 -0.33 0.00 0.31 0.00 0.00 61.69 59.38 1iot s THR 69 Cb 0.25 -2.23 -0.13 0.00 0.01 0.00 0.00 72.50 70.40 1iot s THR 69 CO -0.10 -0.79 1.69 -2.65 -0.69 0.00 0.00 174.62 172.08 1iot n PRO 70 N 3.78 2.27 -0.52 4.92 -0.02 -1.26 -1.58 135.00 142.59 1iot n PRO 70 Ca 0.05 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1iot n PRO 70 Cb 0.36 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1iot n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iot n GLY 71 N 3.78 0.76 3.63 -1.23 0.00 -1.26 -5.03 105.19 105.84 1iot n GLY 71 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1iot n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iot n SER 72 N 0.00 1.54 0.01 1.61 2.88 -0.61 -4.93 113.62 114.11 1iot n SER 72 Ca 0.00 1.06 0.11 0.00 -1.33 0.00 0.00 58.87 58.71 1iot n SER 72 Cb 0.00 -1.38 -0.13 0.00 -0.75 0.00 0.00 64.21 61.95 1iot n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1iot n ARG 73 N 0.17 0.55 -4.08 -1.46 1.74 0.06 -4.96 116.66 108.67 1iot n ARG 73 Ca 0.09 -0.13 -0.29 0.00 -0.77 0.00 0.00 57.85 56.75 1iot n ARG 73 Cb 0.39 -1.56 -0.04 0.00 -1.02 0.00 0.00 32.46 30.22 1iot n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1iot n ASN 74 N -2.20 -0.38 0.29 0.55 5.15 -0.74 -4.88 115.26 113.04 1iot n ASN 74 Ca -0.02 -1.13 0.16 0.00 -0.60 0.00 0.00 54.58 52.98 1iot n ASN 74 Cb 0.53 -2.44 0.87 0.00 -0.53 0.00 0.00 39.78 38.21 1iot n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1iot h LEU 75 N -1.88 0.00 -0.83 1.20 3.38 -0.25 -1.06 115.31 115.87 1iot h LEU 75 Ca -0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1iot h LEU 75 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1iot h LEU 75 CO 0.64 0.06 -0.13 0.00 0.09 0.00 0.00 178.44 179.09 1iot n ASN 77 N -0.10 -2.64 -3.78 0.00 4.05 -0.40 -4.99 115.26 107.40 1iot n ASN 77 Ca 0.15 -0.89 -0.12 0.00 0.45 0.00 0.00 54.58 54.17 1iot n ASN 77 Cb 0.37 -3.84 -0.08 0.00 1.23 0.00 0.00 39.78 37.46 1iot n ASN 77 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1iot s ILE 78 N -3.63 0.08 0.31 -1.44 -4.36 -1.26 -5.06 121.20 105.83 1iot s ILE 78 Ca 0.17 -0.64 -0.28 0.00 -0.26 0.00 0.00 60.65 59.65 1iot s ILE 78 Cb -0.05 -0.78 -0.09 0.00 1.25 0.00 0.00 42.46 42.79 1iot s ILE 78 CO 0.83 -0.35 1.03 -2.16 0.24 0.00 0.00 174.94 174.53 1iot s PRO 79 N -2.01 4.54 0.55 0.37 0.04 -1.26 -1.13 135.00 136.10 1iot s PRO 79 Ca -0.09 1.59 0.26 0.00 0.04 0.00 0.00 61.00 62.80 1iot s PRO 79 Cb -0.03 -2.97 1.45 0.00 0.04 0.00 0.00 34.50 33.00 1iot s PRO 79 CO -0.00 0.18 2.02 0.00 0.04 0.00 0.00 177.00 179.23 1iot h SER 81 N 0.00 0.00 0.40 0.00 4.64 -1.91 -1.30 113.55 115.37 1iot h SER 81 Ca 0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 1iot h SER 81 Cb 0.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1iot h SER 81 CO -0.00 0.10 -0.07 0.00 -0.87 0.00 0.00 176.83 175.99 1iot h ALA 82 N 1.90 1.18 0.00 5.18 0.00 -1.61 -1.98 119.26 123.93 1iot h ALA 82 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1iot h ALA 82 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1iot h ALA 82 CO 0.01 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.63 1iot n LEU 83 N -3.43 0.00 -0.90 0.00 4.77 -0.49 -3.31 117.00 113.63 1iot n LEU 83 Ca -0.02 0.32 0.11 0.00 -0.03 0.00 0.00 56.01 56.39 1iot n LEU 83 Cb 0.21 -0.32 0.11 0.00 -2.33 0.00 0.00 43.42 41.09 1iot n LEU 83 CO 0.27 -0.01 0.61 0.18 -1.33 0.00 0.00 177.39 177.12 1iot n LEU 84 N -1.32 2.90 -4.73 2.23 4.77 -0.74 -4.14 117.00 115.97 1iot n LEU 84 Ca 0.13 -1.07 -0.33 0.00 -0.03 0.00 0.00 56.01 54.71 1iot n LEU 84 Cb 0.25 -0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.40 1iot n LEU 84 CO 0.23 0.51 0.75 -0.55 -1.33 0.00 0.00 177.39 177.00 1iot s SER 85 N -1.77 4.23 0.45 -1.43 0.15 -1.21 -4.20 113.70 109.93 1iot s SER 85 Ca 0.27 2.16 0.25 0.00 0.70 0.00 0.00 55.95 59.33 1iot s SER 85 Cb 0.19 -2.57 0.95 0.00 -1.71 0.00 0.00 66.02 62.88 1iot s SER 85 CO 0.28 -2.23 1.84 0.77 1.20 0.00 0.00 173.24 175.09 1iot h SER 86 N -0.64 0.00 -3.32 5.45 4.64 -1.94 -3.40 113.55 114.34 1iot h SER 86 Ca -0.46 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.27 1iot h SER 86 Cb 1.27 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.28 1iot h SER 86 CO 0.49 0.20 0.60 -0.62 -0.87 0.00 0.00 176.83 176.63 1iot s ASP 87 N -6.14 6.84 0.00 4.97 -1.08 -1.26 -4.93 116.67 115.08 1iot s ASP 87 Ca 0.01 0.95 0.16 0.00 -0.52 0.00 0.00 52.55 53.15 1iot s ASP 87 Cb 0.10 -2.47 0.79 0.00 -1.46 0.00 0.00 42.92 39.88 1iot s ASP 87 CO 0.63 -0.68 1.53 2.30 0.52 0.00 0.00 175.17 179.47 1iot n ILE 88 N 5.54 0.10 -0.10 4.11 -5.35 -1.26 -4.40 119.36 117.99 1iot n ILE 88 Ca 0.08 -0.14 -0.06 0.00 -0.27 0.00 0.00 62.75 62.36 1iot n ILE 88 Cb 0.47 -0.02 0.01 0.00 -1.74 0.00 0.00 39.64 38.36 1iot n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1iot h THR 89 N 0.81 0.56 -0.58 7.28 2.02 -1.94 -0.60 112.91 120.46 1iot h THR 89 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1iot h THR 89 Cb 0.18 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1iot h THR 89 CO 0.00 0.00 0.28 0.00 0.37 0.00 0.00 175.52 176.17 1iot h ALA 90 N 1.26 0.74 -0.57 6.16 0.00 -1.87 0.26 119.26 125.24 1iot h ALA 90 Ca 0.18 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1iot h ALA 90 Cb 0.33 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1iot h ALA 90 CO -0.40 0.30 0.35 0.77 0.00 0.00 0.00 179.25 180.28 1iot h SER 91 N 0.78 0.59 -0.35 0.00 0.02 -1.74 -0.74 113.55 112.11 1iot h SER 91 Ca 0.20 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1iot h SER 91 Cb 0.11 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1iot h SER 91 CO -0.03 0.42 0.08 0.58 -1.14 0.00 0.00 176.83 176.74 1iot h VAL 92 N 0.71 1.23 -0.75 2.27 2.07 -0.73 -0.38 116.25 120.68 1iot h VAL 92 Ca 0.22 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1iot h VAL 92 Cb -0.01 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1iot h VAL 92 CO -0.08 0.26 0.35 0.78 0.02 0.00 0.00 177.57 178.90 1iot h ASN 93 N 0.42 0.98 -0.44 0.57 -0.26 -0.63 -1.60 115.58 114.62 1iot h ASN 93 Ca 0.11 -0.14 -0.10 0.00 -0.56 0.00 0.00 56.30 55.61 1iot h ASN 93 Cb 0.31 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 1iot h ASN 93 CO 0.00 0.84 -0.13 0.00 -1.06 0.00 0.00 177.43 177.09 1iot h ALA 95 N 0.86 1.49 -0.83 0.00 0.00 -0.69 -0.96 119.26 119.14 1iot h ALA 95 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1iot h ALA 95 Cb 0.67 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1iot h ALA 95 CO 0.05 0.44 0.55 0.87 0.00 0.00 0.00 179.25 181.16 1iot h LYS 96 N 0.83 1.05 -0.25 0.00 1.57 -1.18 0.83 116.57 119.42 1iot h LYS 96 Ca 0.22 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.78 1iot h LYS 96 Cb -0.03 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.05 1iot h LYS 96 CO -0.04 0.69 -0.44 0.87 -0.57 0.00 0.00 179.45 179.96 1iot h LYS 97 N 1.08 0.74 0.01 3.15 1.57 -1.14 -2.92 116.57 119.07 1iot h LYS 97 Ca 0.32 -0.46 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1iot h LYS 97 Cb -0.04 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1iot h LYS 97 CO -0.08 1.09 -0.01 0.82 -0.57 0.00 0.00 179.45 180.70 1iot h ILE 98 N 0.48 1.06 0.00 1.86 2.04 -0.74 -2.66 117.51 119.55 1iot h ILE 98 Ca 0.02 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1iot h ILE 98 Cb 1.04 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1iot h ILE 98 CO 0.10 0.05 -0.01 1.62 0.00 0.00 0.00 178.15 179.92 1iot h VAL 99 N -0.10 0.03 -0.01 1.67 3.04 -0.91 -1.00 116.25 118.96 1iot h VAL 99 Ca -0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1iot h VAL 99 Cb 0.10 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 1iot h VAL 99 CO 0.00 0.01 -0.25 -1.20 -1.01 0.00 0.00 177.57 175.12 1iot n SER 100 N -3.11 0.83 0.00 3.17 7.64 -1.06 -3.63 113.62 117.45 1iot n SER 100 Ca -0.01 -0.72 0.03 0.00 1.01 0.00 0.00 58.87 59.19 1iot n SER 100 Cb 0.21 0.09 0.17 0.00 -1.01 0.00 0.00 64.21 63.68 1iot n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1iot n ASP 101 N -0.84 0.00 0.00 6.43 2.03 -0.38 -4.84 116.55 118.96 1iot n ASP 101 Ca 0.12 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.71 1iot n ASP 101 Cb 0.33 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 1iot n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1iot n GLY 102 N -0.71 1.71 1.18 0.27 0.00 -1.26 -4.90 105.19 101.49 1iot n GLY 102 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1iot n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iot n ASN 103 N 0.00 3.53 0.00 1.61 4.05 -1.26 -5.06 115.26 118.12 1iot n ASN 103 Ca 0.00 -2.00 0.00 0.00 0.45 0.00 0.00 54.58 53.03 1iot n ASN 103 Cb 0.00 -0.28 0.00 0.00 1.23 0.00 0.00 39.78 40.73 1iot n ASN 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1iot n GLY 104 N 1.53 1.92 0.00 8.20 0.00 -1.24 -2.37 105.19 113.24 1iot n GLY 104 Ca 0.20 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.89 1iot n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1iot n MET 105 N 7.92 0.63 0.15 1.61 2.81 -1.26 -3.09 117.12 125.88 1iot n MET 105 Ca 0.00 0.02 0.12 0.00 -1.81 0.00 0.00 57.70 56.03 1iot n MET 105 Cb 0.00 -1.50 0.54 0.00 -0.71 0.00 0.00 33.22 31.55 1iot n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1iot n ASN 106 N -1.10 0.65 0.30 7.83 3.02 -1.00 -1.40 115.26 123.56 1iot n ASN 106 Ca 0.16 0.71 0.18 0.00 -0.03 0.00 0.00 54.58 55.60 1iot n ASN 106 Cb 0.12 -0.83 0.97 0.00 -0.61 0.00 0.00 39.78 39.44 1iot n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iot h ALA 107 N 2.16 1.14 -2.72 5.41 0.00 -1.70 -3.37 119.26 120.18 1iot h ALA 107 Ca 0.00 -0.03 -0.71 0.00 0.00 0.00 0.00 54.91 54.17 1iot h ALA 107 Cb 0.23 -0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.77 1iot h ALA 107 CO 0.00 0.03 -0.48 -1.58 0.00 0.00 0.00 179.25 177.23 1iot s TRP 108 N -4.15 3.26 0.35 0.00 0.51 -0.49 -4.98 118.94 113.44 1iot s TRP 108 Ca -0.03 -1.02 0.05 0.00 -2.12 0.00 0.00 56.10 52.98 1iot s TRP 108 Cb 0.13 -2.61 0.70 0.00 -0.81 0.00 0.00 33.47 30.87 1iot s TRP 108 CO 0.49 -0.69 1.94 -0.24 -0.51 0.00 0.00 176.95 177.94 1iot h VAL 109 N 5.87 1.01 -0.08 4.03 3.04 -1.85 -0.83 116.25 127.45 1iot h VAL 109 Ca -0.25 -0.28 -0.11 0.00 -1.01 0.00 0.00 66.70 65.05 1iot h VAL 109 Cb 1.10 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.49 1iot h VAL 109 CO 0.71 0.15 -0.43 0.00 -1.01 0.00 0.00 177.57 176.99 1iot h ALA 110 N 1.58 1.13 -0.05 3.17 0.00 -1.93 -0.71 119.26 122.46 1iot h ALA 110 Ca 0.35 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1iot h ALA 110 Cb 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1iot h ALA 110 CO -0.13 0.59 -0.01 2.35 0.00 0.00 0.00 179.25 182.05 1iot h TRP 111 N 0.15 0.10 -0.57 0.00 7.01 -1.49 0.17 115.95 121.31 1iot h TRP 111 Ca 0.01 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.01 1iot h TRP 111 Cb 0.83 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.82 1iot h TRP 111 CO 0.01 0.43 0.34 -0.09 -2.79 0.00 0.00 178.44 176.34 1iot h ARG 112 N -0.25 0.66 0.00 2.65 2.43 -1.14 0.15 114.38 118.88 1iot h ARG 112 Ca 0.01 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1iot h ARG 112 Cb 0.39 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1iot h ARG 112 CO 0.00 0.44 -0.55 -0.91 -1.51 0.00 0.00 179.97 177.44 1iot h ASN 113 N 0.68 0.00 0.00 -3.80 2.35 -1.05 -3.37 115.58 110.39 1iot h ASN 113 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1iot h ASN 113 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1iot h ASN 113 CO -0.10 0.06 -0.09 0.54 -1.65 0.00 0.00 177.43 176.20 1iot n ARG 114 N -2.91 4.01 -0.04 0.81 1.74 0.58 -4.89 116.66 115.96 1iot n ARG 114 Ca 0.01 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.02 1iot n ARG 114 Cb 0.57 -0.38 -0.03 0.00 -1.02 0.00 0.00 32.46 31.60 1iot n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iot n LYS 116 N -3.03 1.32 -1.09 0.00 4.81 0.27 -1.39 118.16 119.06 1iot n LYS 116 Ca -0.15 0.48 -0.03 0.00 -0.87 0.00 0.00 58.31 57.74 1iot n LYS 116 Cb 0.63 -2.15 -0.01 0.00 0.02 0.00 0.00 35.03 33.51 1iot n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iot n GLY 117 N 2.97 0.58 3.83 3.14 0.00 -1.26 -4.97 105.19 109.47 1iot n GLY 117 Ca 0.20 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 1iot n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iot s THR 118 N -1.90 2.51 -1.23 2.61 -4.23 -0.49 -5.01 115.64 107.90 1iot s THR 118 Ca 0.00 -1.47 -0.19 0.00 -1.18 0.00 0.00 61.69 58.84 1iot s THR 118 Cb 0.00 -2.98 0.06 0.00 1.34 0.00 0.00 72.50 70.92 1iot s THR 118 CO 0.00 0.00 1.68 -0.62 -0.54 0.00 0.00 174.62 175.14 1iot s ASP 119 N -4.05 6.72 0.47 3.99 2.15 -1.26 -4.73 116.67 119.95 1iot s ASP 119 Ca 0.45 -2.19 0.32 0.00 0.43 0.00 0.00 52.55 51.56 1iot s ASP 119 Cb -0.01 -2.58 1.52 0.00 -0.30 0.00 0.00 42.92 41.56 1iot s ASP 119 CO 0.26 -1.30 1.96 -0.37 -0.17 0.00 0.00 175.17 175.56 1iot h VAL 120 N 5.87 0.00 -0.11 1.11 -1.51 -1.90 -2.58 116.25 117.14 1iot h VAL 120 Ca 0.39 -0.22 0.03 0.00 -1.23 0.00 0.00 66.70 65.66 1iot h VAL 120 Cb 0.90 1.07 -0.00 0.00 -2.13 0.00 0.00 31.29 31.13 1iot h VAL 120 CO 1.45 0.00 0.08 1.56 -1.23 0.00 0.00 177.57 179.42 1iot h GLN 121 N 0.00 0.00 -0.13 5.19 7.50 -1.88 -1.37 115.11 124.42 1iot h GLN 121 Ca 0.00 0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.19 1iot h GLN 121 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.78 1iot h GLN 121 CO 0.00 0.00 0.11 0.00 -1.50 0.00 0.00 178.83 177.44 1iot h ALA 122 N 1.94 1.88 0.00 3.87 0.00 -1.86 -2.47 119.26 122.62 1iot h ALA 122 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1iot h ALA 122 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1iot h ALA 122 CO -0.00 -0.18 0.00 -1.49 0.00 0.00 0.00 179.25 177.58 1iot h TRP 123 N 0.00 0.00 -0.06 0.00 4.06 -1.47 -2.94 115.95 115.53 1iot h TRP 123 Ca 0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.01 1iot h TRP 123 Cb 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 1iot h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1iot n ILE 124 N -2.84 0.34 -1.77 1.49 -5.35 -0.94 -4.84 119.36 105.45 1iot n ILE 124 Ca 0.01 -0.67 -0.41 0.00 -0.27 0.00 0.00 62.75 61.40 1iot n ILE 124 Cb 0.26 0.91 -0.01 0.00 -1.74 0.00 0.00 39.64 39.05 1iot n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1iot s ARG 125 N -0.65 4.11 0.00 6.28 3.52 -1.11 -2.02 118.95 129.08 1iot s ARG 125 Ca 0.08 2.59 0.00 0.00 -0.13 0.00 0.00 55.73 58.27 1iot s ARG 125 Cb 0.05 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.43 1iot s ARG 125 CO 0.07 -0.64 0.00 0.41 -0.81 0.00 0.00 175.30 174.34 1iot n GLY 126 N 2.07 1.74 3.84 8.12 0.00 -1.26 -5.02 105.19 114.68 1iot n GLY 126 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1iot n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iot s ARG 128 N -2.32 3.20 0.00 0.00 3.52 -1.26 -5.13 118.95 116.96 1iot s ARG 128 Ca 0.44 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 55.38 1iot s ARG 128 Cb -0.14 -4.10 0.00 0.00 -1.56 0.00 0.00 34.95 29.15 1iot s ARG 128 CO 0.20 -1.41 0.39 1.28 -0.81 0.00 0.00 175.30 174.95