#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iiz s ARG 2 N 0.00 1.81 0.55 1.64 3.52 -1.26 -0.28 118.95 124.93 1iiz s ARG 2 Ca 0.00 -0.36 -0.11 0.00 -0.13 0.00 0.00 55.73 55.13 1iiz s ARG 2 Cb 0.00 -1.77 -0.05 0.00 -1.56 0.00 0.00 34.95 31.57 1iiz s ARG 2 CO 0.00 -0.25 0.94 -0.06 -0.81 0.00 0.00 175.30 175.12 1iiz s PHE 3 N 1.62 3.56 0.76 5.12 0.40 -0.84 -5.00 117.98 123.61 1iiz s PHE 3 Ca 0.05 1.20 -0.04 0.00 -0.60 0.00 0.00 56.93 57.54 1iiz s PHE 3 Cb -0.13 -2.62 0.14 0.00 0.51 0.00 0.00 43.02 40.92 1iiz s PHE 3 CO -0.09 -0.48 1.05 0.95 0.70 0.00 0.00 175.22 177.36 1iiz s THR 4 N -2.89 2.12 0.15 0.64 -4.23 -1.26 -4.83 115.64 105.33 1iiz s THR 4 Ca 0.54 -0.48 -0.16 0.00 -1.18 0.00 0.00 61.69 60.40 1iiz s THR 4 Cb -0.11 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 71.11 1iiz s THR 4 CO 0.45 0.00 1.80 -0.09 -0.54 0.00 0.00 174.62 176.24 1iiz h ARG 5 N -0.73 0.51 0.01 3.99 9.65 -2.00 -1.97 114.38 123.85 1iiz h ARG 5 Ca -0.38 -0.04 -0.19 0.00 -1.10 0.00 0.00 59.98 58.27 1iiz h ARG 5 Cb 1.26 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.71 1iiz h ARG 5 CO 0.40 0.35 -0.90 0.00 2.80 0.00 0.00 179.97 182.63 1iiz h GLY 7 N 2.37 0.27 0.67 0.00 0.00 -1.89 -1.99 103.07 102.51 1iiz h GLY 7 Ca -0.02 -0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 1iiz h GLY 7 CO 0.12 0.15 -0.39 -2.00 0.00 0.00 0.00 176.54 174.42 1iiz h LEU 8 N 0.24 0.41 -0.98 3.11 5.85 -1.28 -2.68 115.31 119.98 1iiz h LEU 8 Ca 0.05 -0.71 0.03 0.00 0.84 0.00 0.00 57.88 58.10 1iiz h LEU 8 Cb 0.32 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1iiz h LEU 8 CO 0.02 1.06 0.64 1.62 -0.34 0.00 0.00 178.44 181.43 1iiz h VAL 9 N -0.20 1.19 -0.14 1.05 3.04 -1.32 0.07 116.25 119.94 1iiz h VAL 9 Ca -0.04 -0.43 0.02 0.00 -1.01 0.00 0.00 66.70 65.24 1iiz h VAL 9 Cb 1.08 -0.18 -0.02 0.00 -2.01 0.00 0.00 31.29 30.16 1iiz h VAL 9 CO 0.08 0.23 -0.01 0.78 -1.01 0.00 0.00 177.57 177.64 1iiz h ASN 10 N 1.26 -0.07 -0.09 3.17 -0.26 -1.38 -1.45 115.58 116.76 1iiz h ASN 10 Ca 0.38 0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 56.15 1iiz h ASN 10 Cb -0.03 0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.29 1iiz h ASN 10 CO -0.11 -0.01 0.05 -0.33 -1.06 0.00 0.00 177.43 175.96 1iiz h GLU 11 N 0.04 0.12 -0.97 0.81 4.39 -1.01 -1.09 114.58 116.86 1iiz h GLU 11 Ca 0.07 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.81 1iiz h GLU 11 Cb 0.08 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.65 1iiz h GLU 11 CO -0.12 0.15 0.63 -0.07 -1.16 0.00 0.00 179.01 178.45 1iiz h LEU 12 N 0.06 1.01 -0.43 1.33 3.38 -0.82 0.42 115.31 120.26 1iiz h LEU 12 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1iiz h LEU 12 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1iiz h LEU 12 CO -0.01 0.67 -0.18 0.03 0.09 0.00 0.00 178.44 179.04 1iiz h ARG 13 N 1.16 0.88 -0.29 1.13 3.08 -1.07 -0.99 114.38 118.29 1iiz h ARG 13 Ca 0.41 -0.37 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 1iiz h ARG 13 Cb 0.12 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1iiz h ARG 13 CO -0.15 1.02 -0.10 -0.22 -1.07 0.00 0.00 179.97 179.45 1iiz h LYS 14 N 0.71 0.48 0.00 0.04 3.64 -0.41 -1.76 116.57 119.27 1iiz h LYS 14 Ca 0.10 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1iiz h LYS 14 Cb 0.74 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1iiz h LYS 14 CO 0.06 0.59 0.00 1.04 -2.27 0.00 0.00 179.45 178.87 1iiz n GLN 15 N -4.22 0.59 -0.74 1.90 1.13 0.14 -4.90 117.38 111.29 1iiz n GLN 15 Ca 0.01 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1iiz n GLN 15 Cb 0.31 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.16 1iiz n GLN 15 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1iiz n GLY 16 N 0.90 0.56 3.77 1.08 0.00 -0.66 -5.00 105.19 105.84 1iiz n GLY 16 Ca 0.16 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1iiz n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iiz s PHE 17 N -2.00 3.18 -0.09 1.61 0.40 -0.44 -4.91 117.98 115.74 1iiz s PHE 17 Ca 0.00 1.49 -0.32 0.00 -0.60 0.00 0.00 56.93 57.50 1iiz s PHE 17 Cb 0.00 -3.58 -0.10 0.00 0.51 0.00 0.00 43.02 39.85 1iiz s PHE 17 CO 0.00 -1.54 2.00 -3.47 0.70 0.00 0.00 175.22 172.91 1iiz n ASP 18 N 0.89 3.57 -0.34 1.36 2.03 -1.26 -4.76 116.55 118.04 1iiz n ASP 18 Ca -0.00 0.78 0.20 0.00 0.52 0.00 0.00 54.79 56.28 1iiz n ASP 18 Cb 0.43 -1.45 0.43 0.00 -0.72 0.00 0.00 41.12 39.81 1iiz n ASP 18 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1iiz h GLU 19 N 10.91 0.49 0.00 -0.67 4.57 -1.98 -0.32 114.58 127.59 1iiz h GLU 19 Ca -0.46 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1iiz h GLU 19 Cb 1.26 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1iiz h GLU 19 CO 0.95 0.33 0.00 0.27 -1.18 0.00 0.00 179.01 179.38 1iiz n ASN 20 N -4.80 0.00 -0.19 1.04 6.94 -1.26 -2.30 115.26 114.70 1iiz n ASN 20 Ca 0.27 -0.51 0.07 0.00 -0.02 0.00 0.00 54.58 54.38 1iiz n ASN 20 Cb 0.81 -0.16 -0.03 0.00 -2.36 0.00 0.00 39.78 38.04 1iiz n ASN 20 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1iiz n LEU 21 N -1.16 1.13 -0.31 -4.53 4.77 -0.16 -4.73 117.00 112.02 1iiz n LEU 21 Ca 0.18 -0.66 -0.12 0.00 -0.03 0.00 0.00 56.01 55.39 1iiz n LEU 21 Cb 0.17 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 1iiz n LEU 21 CO 0.20 0.23 0.49 0.24 -1.33 0.00 0.00 177.39 177.22 1iiz h MET 22 N 0.91 -0.14 -0.26 3.23 2.86 -1.14 0.65 114.93 121.05 1iiz h MET 22 Ca 0.00 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1iiz h MET 22 Cb 0.41 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1iiz h MET 22 CO 0.00 -0.09 0.18 0.00 1.06 0.00 0.00 176.91 178.06 1iiz h ARG 23 N -0.14 0.20 -0.27 1.72 3.08 -1.85 -0.24 114.38 116.88 1iiz h ARG 23 Ca 0.12 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.06 1iiz h ARG 23 Cb 0.46 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1iiz h ARG 23 CO -0.79 0.13 -0.25 -0.44 -1.07 0.00 0.00 179.97 177.55 1iiz h ASP 24 N 0.20 0.69 -0.18 7.04 5.19 -1.30 -2.12 116.42 125.94 1iiz h ASP 24 Ca 0.11 -0.46 -0.00 0.00 -0.62 0.00 0.00 57.03 56.06 1iiz h ASP 24 Cb 0.20 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1iiz h ASP 24 CO -0.02 1.01 0.10 -0.50 -3.12 0.00 0.00 179.24 176.71 1iiz h TRP 25 N 0.38 0.24 -0.67 4.55 4.06 0.21 -0.13 115.95 124.60 1iiz h TRP 25 Ca 0.05 -0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.05 1iiz h TRP 25 Cb 0.81 -0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 28.83 1iiz h TRP 25 CO 0.07 0.21 0.37 0.28 -3.56 0.00 0.00 178.44 175.82 1iiz h VAL 26 N 0.20 0.96 0.08 1.49 2.07 -1.10 -0.43 116.25 119.52 1iiz h VAL 26 Ca 0.06 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1iiz h VAL 26 Cb 0.05 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1iiz h VAL 26 CO -0.01 0.12 -0.04 0.00 0.02 0.00 0.00 177.57 177.66 1iiz h LEU 28 N -0.23 -1.22 -0.18 0.00 5.85 -0.64 -1.38 115.31 117.50 1iiz h LEU 28 Ca -0.01 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1iiz h LEU 28 Cb 0.19 0.48 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 1iiz h LEU 28 CO 0.02 -0.45 -0.06 0.58 -0.34 0.00 0.00 178.44 178.19 1iiz h VAL 29 N -0.55 0.78 -0.04 1.05 2.07 -1.04 0.18 116.25 118.70 1iiz h VAL 29 Ca 0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1iiz h VAL 29 Cb 0.64 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1iiz h VAL 29 CO -0.31 0.00 0.03 -0.33 0.02 0.00 0.00 177.57 176.98 1iiz h GLU 30 N -0.02 0.00 -0.00 1.57 5.08 -1.04 0.67 114.58 120.83 1iiz h GLU 30 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1iiz h GLU 30 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1iiz h GLU 30 CO -0.20 0.00 -0.86 0.09 -1.00 0.00 0.00 179.01 177.04 1iiz n ASN 31 N -4.19 1.07 -0.13 1.42 4.13 -0.55 -2.84 115.26 114.17 1iiz n ASN 31 Ca -0.02 -0.97 -0.24 0.00 1.68 0.00 0.00 54.58 55.03 1iiz n ASN 31 Cb 0.13 0.82 -0.11 0.00 -1.54 0.00 0.00 39.78 39.08 1iiz n ASN 31 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1iiz n GLU 32 N -1.30 0.62 0.00 3.52 -0.58 0.54 -4.79 120.64 118.66 1iiz n GLU 32 Ca 0.05 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1iiz n GLU 32 Cb 0.35 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 1iiz n GLU 32 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1iiz n SER 33 N -3.83 0.60 -2.73 1.62 3.41 0.17 -4.87 113.62 107.98 1iiz n SER 33 Ca -0.49 -1.01 -0.19 0.00 -0.26 0.00 0.00 58.87 56.92 1iiz n SER 33 Cb 0.93 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 1iiz n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iiz n ALA 34 N -0.01 -0.83 -1.19 7.33 0.00 -0.96 -1.68 120.51 123.17 1iiz n ALA 34 Ca 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 1iiz n ALA 34 Cb 0.11 -2.51 -0.03 0.00 0.00 0.00 0.00 19.45 17.02 1iiz n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iiz n ARG 35 N -3.33 -0.76 -3.35 0.00 1.74 -1.25 -4.87 116.66 104.85 1iiz n ARG 35 Ca -0.14 0.63 -0.38 0.00 -0.77 0.00 0.00 57.85 57.19 1iiz n ARG 35 Cb 0.62 -4.47 -0.07 0.00 -1.02 0.00 0.00 32.46 27.53 1iiz n ARG 35 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1iiz s TYR 36 N -2.08 3.43 -0.00 -1.55 1.51 -0.68 -1.98 117.35 116.01 1iiz s TYR 36 Ca 0.00 0.74 0.18 0.00 -1.01 0.00 0.00 57.07 56.98 1iiz s TYR 36 Cb 0.00 -2.54 0.42 0.00 -0.11 0.00 0.00 41.96 39.73 1iiz s TYR 36 CO 0.00 0.07 1.61 1.79 -1.11 0.00 0.00 175.55 177.90 1iiz h THR 37 N 4.90 0.80 -0.33 -0.71 1.35 -0.96 -3.00 112.91 114.96 1iiz h THR 37 Ca -0.38 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.70 1iiz h THR 37 Cb 1.17 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.73 1iiz h THR 37 CO 0.74 0.40 0.00 -0.90 -0.25 0.00 0.00 175.52 175.51 1iiz n ASP 38 N -3.35 3.37 -4.77 5.36 3.85 -1.25 -3.41 116.55 116.35 1iiz n ASP 38 Ca 0.01 -1.99 -0.41 0.00 -0.71 0.00 0.00 54.79 51.69 1iiz n ASP 38 Cb 0.61 -0.21 -0.00 0.00 -1.35 0.00 0.00 41.12 40.17 1iiz n ASP 38 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 1iiz n LYS 39 N 1.45 2.69 -3.75 0.11 3.00 -1.24 -4.71 118.16 115.71 1iiz n LYS 39 Ca 0.18 0.95 -0.28 0.00 -0.00 0.00 0.00 58.31 59.16 1iiz n LYS 39 Cb 0.60 -2.69 -0.16 0.00 0.00 0.00 0.00 35.03 32.78 1iiz n LYS 39 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1iiz s ILE 40 N -0.90 0.62 0.83 3.15 2.07 -1.26 -0.03 121.20 125.68 1iiz s ILE 40 Ca 0.55 -0.66 -0.14 0.00 -1.41 0.00 0.00 60.65 58.99 1iiz s ILE 40 Cb -0.48 -1.13 0.03 0.00 0.13 0.00 0.00 42.46 41.01 1iiz s ILE 40 CO 0.61 -0.23 0.71 0.00 -1.91 0.00 0.00 174.94 174.12 1iiz n ALA 41 N 5.01 -1.42 -1.86 1.50 0.00 -0.33 -4.95 120.51 118.45 1iiz n ALA 41 Ca -0.09 -0.40 -0.33 0.00 0.00 0.00 0.00 53.44 52.62 1iiz n ALA 41 Cb 0.47 -1.96 -0.05 0.00 0.00 0.00 0.00 19.45 17.90 1iiz n ALA 41 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1iiz s ASN 42 N -1.88 6.79 0.18 0.00 0.01 -1.26 -4.35 114.94 114.42 1iiz s ASN 42 Ca 0.65 1.60 -0.32 0.00 -0.71 0.00 0.00 52.86 54.08 1iiz s ASN 42 Cb -0.28 -2.51 -0.16 0.00 0.41 0.00 0.00 41.25 38.71 1iiz s ASN 42 CO 0.59 -0.44 1.07 0.52 -1.51 0.00 0.00 177.10 177.33 1iiz n VAL 43 N -1.02 1.11 -2.42 1.60 0.31 -1.26 -4.75 118.33 111.90 1iiz n VAL 43 Ca 0.06 -0.28 -0.25 0.00 -0.01 0.00 0.00 64.34 63.86 1iiz n VAL 43 Cb 0.54 -0.73 0.14 0.00 -0.91 0.00 0.00 33.84 32.88 1iiz n VAL 43 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1iiz s ASN 44 N -0.19 3.85 0.15 4.52 0.01 -0.65 -4.98 114.94 117.65 1iiz s ASN 44 Ca 0.71 -0.28 -0.29 0.00 -0.71 0.00 0.00 52.86 52.29 1iiz s ASN 44 Cb -0.86 0.07 -0.04 0.00 0.41 0.00 0.00 41.25 40.83 1iiz s ASN 44 CO 0.54 -2.21 1.56 0.11 -1.51 0.00 0.00 177.10 175.59 1iiz h LYS 45 N -0.91 -0.35 -6.52 -0.60 1.57 -1.94 -3.35 116.57 104.47 1iiz h LYS 45 Ca -0.37 0.02 -0.53 0.00 -1.87 0.00 0.00 60.65 57.90 1iiz h LYS 45 Cb 1.25 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 1iiz h LYS 45 CO 0.37 -0.23 0.46 0.54 -0.57 0.00 0.00 179.45 180.02 1iiz s ASN 46 N -5.05 7.26 0.00 0.86 6.03 -1.26 -4.84 114.94 117.95 1iiz s ASN 46 Ca -0.15 1.91 0.00 0.00 -1.03 0.00 0.00 52.86 53.60 1iiz s ASN 46 Cb 0.10 -2.58 0.00 0.00 -3.03 0.00 0.00 41.25 35.74 1iiz s ASN 46 CO 0.64 -0.29 0.00 0.61 -2.03 0.00 0.00 177.10 176.03 1iiz n GLY 47 N 2.67 0.00 3.83 0.45 0.00 -1.26 -4.69 105.19 106.20 1iiz n GLY 47 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1iiz n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iiz s SER 48 N -0.03 5.73 0.22 1.61 1.04 -1.26 -4.82 113.70 116.18 1iiz s SER 48 Ca 0.00 1.61 0.03 0.00 0.48 0.00 0.00 55.95 58.07 1iiz s SER 48 Cb 0.00 -2.50 -0.05 0.00 0.10 0.00 0.00 66.02 63.57 1iiz s SER 48 CO 0.00 -1.20 0.00 -0.13 0.98 0.00 0.00 173.24 172.89 1iiz s ARG 49 N -4.80 1.28 -0.05 4.02 1.81 -1.26 -1.64 118.95 118.31 1iiz s ARG 49 Ca 0.59 -1.64 0.04 0.00 -1.72 0.00 0.00 55.73 52.99 1iiz s ARG 49 Cb -0.13 -0.51 -0.02 0.00 -0.45 0.00 0.00 34.95 33.83 1iiz s ARG 49 CO 0.49 -0.11 -0.17 -0.51 -0.68 0.00 0.00 175.30 174.31 1iiz s ASP 50 N -3.27 3.75 0.01 0.23 1.01 -1.26 -1.94 116.67 115.20 1iiz s ASP 50 Ca 0.28 -0.29 0.08 0.00 0.71 0.00 0.00 52.55 53.32 1iiz s ASP 50 Cb 0.06 -0.84 -0.03 0.00 1.01 0.00 0.00 42.92 43.12 1iiz s ASP 50 CO 0.08 0.31 -0.23 -0.31 0.21 0.00 0.00 175.17 175.22 1iiz s TYR 51 N -0.53 2.41 0.00 4.23 2.02 -0.89 -1.19 117.35 123.40 1iiz s TYR 51 Ca 0.07 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 1iiz s TYR 51 Cb -0.11 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 1iiz s TYR 51 CO 0.01 0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.51 1iiz n GLY 52 N 1.99 0.28 0.36 0.71 0.00 0.95 -1.51 105.19 107.97 1iiz n GLY 52 Ca -0.17 -0.81 0.22 0.00 0.00 0.00 0.00 46.02 45.27 1iiz n GLY 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iiz h LEU 53 N 0.00 0.56 -2.01 0.99 7.12 -1.54 0.47 115.31 120.89 1iiz h LEU 53 Ca 0.00 0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.16 1iiz h LEU 53 Cb 0.00 0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.20 1iiz h LEU 53 CO 0.00 -0.00 0.00 0.49 -0.13 0.00 0.00 178.44 178.80 1iiz n PHE 54 N -4.89 0.19 -3.79 1.25 3.72 -1.26 -4.33 117.46 108.35 1iiz n PHE 54 Ca 0.29 -0.10 -0.31 0.00 -0.05 0.00 0.00 57.45 57.29 1iiz n PHE 54 Cb 0.89 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.45 1iiz n PHE 54 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1iiz n GLN 55 N 1.32 -1.04 -3.12 -1.08 1.13 0.15 -4.89 117.38 109.86 1iiz n GLN 55 Ca 0.16 0.55 -0.40 0.00 -1.94 0.00 0.00 57.00 55.37 1iiz n GLN 55 Cb 0.59 -3.05 -0.06 0.00 0.11 0.00 0.00 30.24 27.83 1iiz n GLN 55 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1iiz s ILE 56 N -3.26 5.01 0.34 5.09 1.01 -0.72 -4.52 121.20 124.16 1iiz s ILE 56 Ca 0.25 1.18 -0.29 0.00 0.00 0.00 0.00 60.65 61.80 1iiz s ILE 56 Cb -0.12 -3.94 -0.11 0.00 0.01 0.00 0.00 42.46 38.30 1iiz s ILE 56 CO 0.90 0.10 1.40 0.21 0.00 0.00 0.00 174.94 177.55 1iiz s ASN 57 N 1.23 6.58 0.00 3.58 3.04 -1.26 -2.09 114.94 126.02 1iiz s ASN 57 Ca 0.28 2.84 0.15 0.00 0.04 0.00 0.00 52.86 56.17 1iiz s ASN 57 Cb -0.16 -2.65 0.69 0.00 -1.54 0.00 0.00 41.25 37.59 1iiz s ASN 57 CO 0.10 -0.70 1.48 -0.90 -3.04 0.00 0.00 177.10 174.04 1iiz n ASP 58 N 0.91 0.88 -0.03 -4.21 3.85 -0.82 -3.27 116.55 113.87 1iiz n ASP 58 Ca 0.02 -1.70 -0.16 0.00 -0.71 0.00 0.00 54.79 52.24 1iiz n ASP 58 Cb 0.40 -0.07 -0.09 0.00 -1.35 0.00 0.00 41.12 40.01 1iiz n ASP 58 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 1iiz h LYS 59 N 1.11 0.42 0.00 0.11 3.64 -1.85 -3.40 116.57 116.60 1iiz h LYS 59 Ca 0.00 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1iiz h LYS 59 Cb 0.25 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1iiz h LYS 59 CO 0.00 0.99 0.00 0.66 -2.27 0.00 0.00 179.45 178.83 1iiz n TYR 60 N -4.33 0.00 -0.07 1.91 4.01 -1.26 -4.93 117.16 112.51 1iiz n TYR 60 Ca -0.08 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.54 1iiz n TYR 60 Cb 0.56 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.53 1iiz n TYR 60 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1iiz n TRP 61 N -0.19 0.00 -4.28 -0.72 5.03 -1.20 -2.24 117.44 113.83 1iiz n TRP 61 Ca 0.00 0.00 -0.19 0.00 3.03 0.00 0.00 57.50 60.34 1iiz n TRP 61 Cb 0.06 -0.48 -0.11 0.00 -1.03 0.00 0.00 31.31 29.75 1iiz n TRP 61 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1iiz s SER 63 N -2.60 7.35 0.20 0.00 0.15 -0.11 -4.53 113.70 114.16 1iiz s SER 63 Ca 0.13 1.59 0.21 0.00 0.70 0.00 0.00 55.95 58.58 1iiz s SER 63 Cb -0.05 -2.48 0.01 0.00 -1.71 0.00 0.00 66.02 61.79 1iiz s SER 63 CO 0.05 0.20 1.08 0.11 1.20 0.00 0.00 173.24 175.88 1iiz h LYS 64 N 4.44 0.00 -3.78 5.44 1.57 -1.88 0.11 116.57 122.46 1iiz h LYS 64 Ca -0.47 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 57.58 1iiz h LYS 64 Cb 1.21 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.20 1iiz h LYS 64 CO 0.66 0.09 -0.24 0.20 -0.57 0.00 0.00 179.45 179.59 1iiz s GLY 65 N -4.45 2.47 0.00 3.86 0.00 -1.26 -4.91 107.32 103.04 1iiz s GLY 65 Ca 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 44.72 41.56 1iiz s GLY 65 CO 0.78 1.15 0.00 1.44 0.00 0.00 0.00 173.10 176.46 1iiz n SER 66 N 3.85 0.00 -4.74 1.64 7.64 -1.26 -4.71 113.62 116.05 1iiz n SER 66 Ca 0.07 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.57 1iiz n SER 66 Cb 0.41 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.55 1iiz n SER 66 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1iiz s THR 67 N 0.00 5.18 -0.25 0.44 2.01 -1.26 -4.90 115.64 116.86 1iiz s THR 67 Ca 0.00 0.89 -0.25 0.00 0.31 0.00 0.00 61.69 62.64 1iiz s THR 67 Cb 0.00 -3.78 -0.11 0.00 0.01 0.00 0.00 72.50 68.62 1iiz s THR 67 CO 0.00 0.36 0.84 -2.65 -0.69 0.00 0.00 174.62 172.48 1iiz n PRO 68 N 3.45 0.00 0.00 4.92 -0.02 -1.26 -4.67 135.00 137.42 1iiz n PRO 68 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1iiz n PRO 68 Cb 0.52 -0.81 0.00 0.00 -0.02 0.00 0.00 33.50 33.19 1iiz n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iiz n GLY 69 N 2.05 -0.74 0.00 -1.23 0.00 0.80 -4.44 105.19 101.63 1iiz n GLY 69 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1iiz n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iiz n LYS 70 N -0.14 0.00 -0.25 1.61 4.01 -1.24 -3.99 118.16 118.17 1iiz n LYS 70 Ca 0.00 0.00 0.24 0.00 -0.51 0.00 0.00 58.31 58.04 1iiz n LYS 70 Cb 0.00 0.00 0.59 0.00 -0.51 0.00 0.00 35.03 35.11 1iiz n LYS 70 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1iiz h ASP 71 N 0.00 0.27 0.06 4.39 3.32 -1.57 0.13 116.42 123.02 1iiz h ASP 71 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1iiz h ASP 71 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1iiz h ASP 71 CO 0.00 0.09 -0.13 0.00 -1.72 0.00 0.00 179.24 177.48 1iiz n ASN 73 N 0.10 -4.28 -3.95 0.00 4.05 0.45 -4.93 115.26 106.71 1iiz n ASN 73 Ca 0.15 -0.68 -0.09 0.00 0.45 0.00 0.00 54.58 54.40 1iiz n ASN 73 Cb 0.41 -4.50 -0.07 0.00 1.23 0.00 0.00 39.78 36.85 1iiz n ASN 73 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1iiz s VAL 74 N -3.38 0.08 0.23 3.44 -7.23 -1.26 -4.35 120.40 107.93 1iiz s VAL 74 Ca 0.42 -1.38 -0.16 0.00 -1.81 0.00 0.00 61.98 59.06 1iiz s VAL 74 Cb -0.20 -1.79 -0.08 0.00 0.56 0.00 0.00 36.38 34.88 1iiz s VAL 74 CO 0.78 -0.35 0.66 -0.89 -0.31 0.00 0.00 175.10 174.99 1iiz s THR 75 N -3.96 4.72 0.42 5.32 2.01 -1.26 0.28 115.64 123.18 1iiz s THR 75 Ca 0.16 0.96 0.12 0.00 0.31 0.00 0.00 61.69 63.24 1iiz s THR 75 Cb 0.04 -3.72 0.18 0.00 0.01 0.00 0.00 72.50 69.01 1iiz s THR 75 CO -0.01 0.06 1.97 0.00 -0.69 0.00 0.00 174.62 175.95 1iiz h SER 77 N 0.13 0.00 1.28 0.00 0.02 -1.94 -0.92 113.55 112.12 1iiz h SER 77 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1iiz h SER 77 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1iiz h SER 77 CO 0.02 0.03 0.00 1.56 -1.14 0.00 0.00 176.83 177.30 1iiz h GLN 78 N 0.00 0.00 -0.76 3.45 4.20 -1.75 -2.98 115.11 117.27 1iiz h GLN 78 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1iiz h GLN 78 Cb 0.14 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1iiz h GLN 78 CO 0.00 0.00 0.06 1.28 -0.67 0.00 0.00 178.83 179.51 1iiz n LEU 79 N -2.94 4.35 0.00 1.46 4.77 -0.35 -3.80 117.00 120.49 1iiz n LEU 79 Ca 0.02 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.78 1iiz n LEU 79 Cb 0.37 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1iiz n LEU 79 CO 0.28 0.55 0.28 0.18 -1.33 0.00 0.00 177.39 177.36 1iiz n LEU 80 N 0.27 1.02 -4.80 2.23 4.77 -1.12 -3.10 117.00 116.27 1iiz n LEU 80 Ca 0.22 -1.02 -0.30 0.00 -0.03 0.00 0.00 56.01 54.88 1iiz n LEU 80 Cb 0.94 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 42.14 1iiz n LEU 80 CO 0.24 0.26 0.71 0.42 -1.33 0.00 0.00 177.39 177.69 1iiz s THR 81 N -0.28 2.75 0.14 -5.08 -4.23 -1.25 -3.94 115.64 103.75 1iiz s THR 81 Ca 0.00 0.24 -0.07 0.00 -1.18 0.00 0.00 61.69 60.68 1iiz s THR 81 Cb 0.00 -2.99 -0.12 0.00 1.34 0.00 0.00 72.50 70.73 1iiz s THR 81 CO 0.00 -0.32 1.38 0.44 -0.54 0.00 0.00 174.62 175.59 1iiz h ASP 82 N -1.21 0.72 -3.32 3.99 5.19 -1.94 -3.41 116.42 116.43 1iiz h ASP 82 Ca -0.48 -0.46 -0.56 0.00 -0.62 0.00 0.00 57.03 54.91 1iiz h ASP 82 Cb 1.29 -0.21 -0.04 0.00 0.18 0.00 0.00 39.33 40.54 1iiz h ASP 82 CO 0.60 1.23 0.43 -0.62 -3.12 0.00 0.00 179.24 177.75 1iiz s ASP 83 N -7.03 7.18 -0.17 6.45 2.15 -1.26 -4.93 116.67 119.06 1iiz s ASP 83 Ca -0.08 1.44 0.16 0.00 0.43 0.00 0.00 52.55 54.50 1iiz s ASP 83 Cb 0.10 -2.52 0.70 0.00 -0.30 0.00 0.00 42.92 40.90 1iiz s ASP 83 CO 0.87 -0.35 1.62 2.30 -0.17 0.00 0.00 175.17 179.44 1iiz n ILE 84 N 4.34 2.29 -0.15 4.11 -5.35 -1.26 -4.63 119.36 118.71 1iiz n ILE 84 Ca 0.06 -1.43 -0.04 0.00 -0.27 0.00 0.00 62.75 61.07 1iiz n ILE 84 Cb 0.50 -0.11 0.05 0.00 -1.74 0.00 0.00 39.64 38.34 1iiz n ILE 84 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1iiz h THR 85 N 3.44 0.87 -0.16 7.28 2.02 -1.96 -0.96 112.91 123.44 1iiz h THR 85 Ca 0.00 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 1iiz h THR 85 Cb 1.64 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1iiz h THR 85 CO 0.33 0.07 -0.03 0.58 0.37 0.00 0.00 175.52 176.84 1iiz h VAL 86 N 0.37 1.28 -0.64 3.16 2.07 -1.90 -2.90 116.25 117.68 1iiz h VAL 86 Ca 0.22 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 66.83 1iiz h VAL 86 Cb 0.21 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1iiz h VAL 86 CO -0.21 0.28 0.43 0.00 0.02 0.00 0.00 177.57 178.09 1iiz h ALA 87 N 0.73 1.70 0.20 1.67 0.00 -1.77 -2.74 119.26 119.04 1iiz h ALA 87 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1iiz h ALA 87 Cb 0.44 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1iiz h ALA 87 CO 0.01 0.22 -0.10 0.77 0.00 0.00 0.00 179.25 180.16 1iiz h SER 88 N 0.72 -0.23 -0.58 0.00 0.02 -1.08 0.22 113.55 112.61 1iiz h SER 88 Ca 0.27 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1iiz h SER 88 Cb 0.15 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1iiz h SER 88 CO -0.08 0.04 0.39 0.71 -1.14 0.00 0.00 176.83 176.75 1iiz h THR 89 N -0.50 1.01 -0.07 -2.27 1.35 -1.39 0.10 112.91 111.14 1iiz h THR 89 Ca -0.03 -0.20 -0.04 0.00 -0.55 0.00 0.00 66.41 65.59 1iiz h THR 89 Cb 0.38 0.38 -0.00 0.00 -1.73 0.00 0.00 68.15 67.18 1iiz h THR 89 CO 0.05 0.11 -0.11 0.00 -0.25 0.00 0.00 175.52 175.31 1iiz h ALA 91 N 0.51 1.69 -0.25 0.00 0.00 0.38 -0.53 119.26 121.06 1iiz h ALA 91 Ca 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1iiz h ALA 91 Cb 0.67 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1iiz h ALA 91 CO 0.03 0.17 -0.08 0.87 0.00 0.00 0.00 179.25 180.24 1iiz h LYS 92 N 0.80 0.50 -0.99 0.00 1.57 -0.75 -2.21 116.57 115.48 1iiz h LYS 92 Ca 0.35 -0.20 0.14 0.00 -1.87 0.00 0.00 60.65 59.07 1iiz h LYS 92 Cb 0.32 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.52 1iiz h LYS 92 CO -0.13 0.73 0.61 -0.22 -0.57 0.00 0.00 179.45 179.88 1iiz h LYS 93 N 0.24 0.89 -0.35 3.15 1.63 -0.02 -0.10 116.57 122.01 1iiz h LYS 93 Ca 0.06 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.71 1iiz h LYS 93 Cb 0.56 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1iiz h LYS 93 CO 0.03 0.59 -0.18 0.82 -3.45 0.00 0.00 179.45 177.26 1iiz h ILE 94 N 0.92 1.29 -0.58 2.00 2.04 -1.03 -3.11 117.51 119.04 1iiz h ILE 94 Ca 0.51 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 1iiz h ILE 94 Cb 0.60 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1iiz h ILE 94 CO -0.30 0.43 0.23 0.22 0.00 0.00 0.00 178.15 178.73 1iiz h TYR 95 N 0.53 0.88 -0.20 1.37 3.20 -0.65 0.18 116.97 122.27 1iiz h TYR 95 Ca 0.08 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 61.94 1iiz h TYR 95 Cb 0.72 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1iiz h TYR 95 CO 0.06 0.71 0.25 0.87 -1.64 0.00 0.00 178.16 178.41 1iiz h LYS 96 N 0.79 0.00 0.00 1.82 1.79 -0.99 0.21 116.57 120.19 1iiz h LYS 96 Ca 0.19 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.30 1iiz h LYS 96 Cb 0.20 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.80 1iiz h LYS 96 CO -0.02 0.00 -2.17 0.54 -1.08 0.00 0.00 179.45 176.72 1iiz n ARG 97 N -3.66 0.58 -0.15 3.15 1.74 -0.71 -4.74 116.66 112.85 1iiz n ARG 97 Ca 0.02 0.27 0.05 0.00 -0.77 0.00 0.00 57.85 57.43 1iiz n ARG 97 Cb 0.38 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.44 1iiz n ARG 97 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1iiz n THR 98 N -4.30 1.41 -2.89 0.55 5.66 -0.03 -5.09 114.28 109.58 1iiz n THR 98 Ca -0.46 -1.39 0.00 0.00 -3.05 0.00 0.00 64.05 59.15 1iiz n THR 98 Cb 0.80 0.22 0.00 0.00 -1.55 0.00 0.00 70.33 69.81 1iiz n THR 98 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1iiz n LYS 99 N -0.34 0.00 0.00 1.09 4.01 0.73 -2.09 118.16 121.55 1iiz n LYS 99 Ca 0.11 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 58.02 1iiz n LYS 99 Cb 0.50 0.00 0.07 0.00 -0.51 0.00 0.00 35.03 35.09 1iiz n LYS 99 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1iiz n PHE 100 N 14.00 0.00 0.23 2.13 3.01 -1.26 -4.17 117.46 131.40 1iiz n PHE 100 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.60 1iiz n PHE 100 Cb 0.00 -0.01 0.74 0.00 -0.01 0.00 0.00 39.48 40.20 1iiz n PHE 100 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1iiz h ASP 101 N 2.83 0.00 -0.24 4.37 3.32 -1.84 -0.51 116.42 124.35 1iiz h ASP 101 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1iiz h ASP 101 Cb 0.78 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1iiz h ASP 101 CO 0.00 0.00 -0.44 0.00 -1.72 0.00 0.00 179.24 177.08 1iiz h ALA 102 N 1.79 0.63 -2.15 3.45 0.00 -1.74 -3.42 119.26 117.81 1iiz h ALA 102 Ca 0.00 -0.47 -0.67 0.00 0.00 0.00 0.00 54.91 53.77 1iiz h ALA 102 Cb 0.18 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 17.69 1iiz h ALA 102 CO 0.00 0.67 0.08 -1.58 0.00 0.00 0.00 179.25 178.42 1iiz s TRP 103 N -4.27 3.06 0.50 0.00 0.51 -0.20 -4.92 118.94 113.62 1iiz s TRP 103 Ca -0.10 -0.28 0.18 0.00 -2.12 0.00 0.00 56.10 53.78 1iiz s TRP 103 Cb 0.11 -3.40 1.24 0.00 -0.81 0.00 0.00 33.47 30.62 1iiz s TRP 103 CO 0.87 -0.94 2.08 1.03 -0.51 0.00 0.00 176.95 179.48 1iiz h SER 104 N 8.93 0.08 -0.79 2.95 0.87 -1.82 -0.82 113.55 122.94 1iiz h SER 104 Ca -0.26 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 1iiz h SER 104 Cb 1.10 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.00 1iiz h SER 104 CO 0.92 0.06 0.41 1.23 -0.53 0.00 0.00 176.83 178.92 1iiz h GLY 105 N 0.10 1.20 1.01 5.77 0.00 -1.91 -1.20 103.07 108.04 1iiz h GLY 105 Ca 0.12 -0.57 -0.15 0.00 0.00 0.00 0.00 47.33 46.73 1iiz h GLY 105 CO -0.01 0.54 -0.43 -0.25 0.00 0.00 0.00 176.54 176.39 1iiz h TRP 106 N 1.11 0.91 0.00 5.60 7.01 -1.49 -0.39 115.95 128.70 1iiz h TRP 106 Ca 0.28 -0.32 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 1iiz h TRP 106 Cb 0.07 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 26.95 1iiz h TRP 106 CO 0.01 1.10 -0.07 -0.44 -2.79 0.00 0.00 178.44 176.24 1iiz h ASP 107 N 0.45 0.00 0.00 2.65 3.45 -1.10 -1.46 116.42 120.42 1iiz h ASP 107 Ca 0.02 0.00 -0.38 0.00 0.43 0.00 0.00 57.03 57.09 1iiz h ASP 107 Cb 1.03 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 39.73 1iiz h ASP 107 CO 0.10 0.07 -2.41 -3.20 -1.57 0.00 0.00 179.24 172.23 1iiz n ASN 108 N -3.48 2.05 -0.66 6.45 2.85 -0.48 -4.69 115.26 117.30 1iiz n ASN 108 Ca -0.02 -0.04 0.07 0.00 -0.11 0.00 0.00 54.58 54.48 1iiz n ASN 108 Cb 0.21 -0.46 0.11 0.00 1.24 0.00 0.00 39.78 40.87 1iiz n ASN 108 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1iiz n HIS 109 N -3.41 0.22 -1.82 1.20 8.25 -0.16 -4.63 115.22 114.86 1iiz n HIS 109 Ca -0.45 -0.18 0.03 0.00 -0.26 0.00 0.00 57.72 56.85 1iiz n HIS 109 Cb 0.94 -0.01 0.16 0.00 1.12 0.00 0.00 29.99 32.20 1iiz n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1iiz n ASN 111 N -0.80 2.62 -3.44 0.00 3.02 -1.26 -4.71 115.26 110.69 1iiz n ASN 111 Ca 0.19 -1.81 -0.27 0.00 -0.03 0.00 0.00 54.58 52.65 1iiz n ASN 111 Cb 0.80 0.01 -0.11 0.00 -0.61 0.00 0.00 39.78 39.87 1iiz n ASN 111 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1iiz s HIS 112 N -1.66 1.16 0.40 3.10 3.76 -1.26 -5.08 115.29 115.71 1iiz s HIS 112 Ca 0.23 -2.25 0.00 0.00 -0.15 0.00 0.00 55.06 52.89 1iiz s HIS 112 Cb 0.16 -1.02 0.00 0.00 1.11 0.00 0.00 32.58 32.83 1iiz s HIS 112 CO 0.25 -0.81 0.00 0.45 -0.85 0.00 0.00 174.74 173.78 1iiz n SER 113 N 3.04 -6.91 -3.32 1.40 2.88 -1.26 -5.06 113.62 104.38 1iiz n SER 113 Ca 0.26 1.05 -0.09 0.00 -1.33 0.00 0.00 58.87 58.76 1iiz n SER 113 Cb 0.45 -4.34 0.03 0.00 -0.75 0.00 0.00 64.21 59.60 1iiz n SER 113 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1iiz n ASN 114 N -0.65 1.11 -4.85 -3.46 3.02 -1.26 -4.97 115.26 104.19 1iiz n ASN 114 Ca 0.00 -1.73 -0.30 0.00 -0.03 0.00 0.00 54.58 52.52 1iiz n ASN 114 Cb 0.00 -0.16 0.06 0.00 -0.61 0.00 0.00 39.78 39.06 1iiz n ASN 114 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1iiz s PRO 115 N -3.16 2.73 -0.18 3.52 0.04 -1.26 -5.01 135.00 131.69 1iiz s PRO 115 Ca 0.25 0.61 -0.15 0.00 0.04 0.00 0.00 61.00 61.75 1iiz s PRO 115 Cb -0.02 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1iiz s PRO 115 CO 0.16 -1.16 0.35 0.16 0.04 0.00 0.00 177.00 176.55 1iiz s ASP 116 N -4.14 6.45 0.19 6.66 -4.77 -1.26 -4.84 116.67 114.96 1iiz s ASP 116 Ca 0.59 0.53 0.25 0.00 -3.30 0.00 0.00 52.55 50.62 1iiz s ASP 116 Cb -0.12 -2.21 0.61 0.00 -1.09 0.00 0.00 42.92 40.11 1iiz s ASP 116 CO 0.53 0.01 1.59 0.16 0.70 0.00 0.00 175.17 178.17 1iiz h ILE 117 N 4.85 0.00 -3.34 2.11 3.07 -1.98 -3.45 117.51 118.76 1iiz h ILE 117 Ca -0.39 -0.51 -0.55 0.00 1.55 0.00 0.00 64.86 64.96 1iiz h ILE 117 Cb 1.17 1.35 -0.03 0.00 -0.27 0.00 0.00 36.82 39.04 1iiz h ILE 117 CO 0.74 0.00 0.44 -0.55 -1.05 0.00 0.00 178.15 177.73 1iiz s SER 118 N -4.50 7.29 0.00 2.16 0.15 -1.26 -2.52 113.70 115.01 1iiz s SER 118 Ca 0.09 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.31 1iiz s SER 118 Cb 0.12 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1iiz s SER 118 CO 0.65 -0.34 0.00 -1.54 1.20 0.00 0.00 173.24 173.21 1iiz n SER 119 N 4.39 0.00 -0.69 5.45 3.41 -1.26 -5.24 113.62 119.68 1iiz n SER 119 Ca 0.07 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.76 1iiz n SER 119 Cb 0.50 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.52 1iiz n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88