#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iiz h GLY 3 N 0.00 0.80 1.33 1.09 0.00 -1.99 -0.58 103.07 103.72 3iiz h GLY 3 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 3iiz h GLY 3 CO 0.00 0.02 0.38 0.07 0.00 0.00 0.00 176.54 177.01 3iiz h ARG 4 N 0.43 0.89 -0.20 4.80 -0.00 -1.99 -0.90 114.38 117.42 3iiz h ARG 4 Ca 0.28 -0.08 -0.21 0.00 -0.00 0.00 0.00 59.98 59.97 3iiz h ARG 4 Cb 0.30 -0.19 0.01 0.00 -0.00 0.00 0.00 29.97 30.10 3iiz h ARG 4 CO -0.26 0.64 -0.70 1.49 -0.00 0.00 0.00 179.97 181.14 3iiz h GLU 5 N 0.90 0.82 -0.76 0.08 4.22 -1.75 -1.14 114.58 116.95 3iiz h GLU 5 Ca 0.23 -0.62 0.01 0.00 0.08 0.00 0.00 59.36 59.07 3iiz h GLU 5 Cb -0.01 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3iiz h GLU 5 CO -0.04 1.23 0.50 0.82 -2.18 0.00 0.00 179.01 179.34 3iiz h ILE 6 N 0.57 1.18 -0.39 2.32 2.04 -0.70 -0.41 117.51 122.12 3iiz h ILE 6 Ca -0.03 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 3iiz h ILE 6 Cb 1.32 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3iiz h ILE 6 CO 0.15 0.18 0.22 -0.07 0.00 0.00 0.00 178.15 178.63 3iiz h LEU 7 N 1.01 0.47 -0.79 1.44 3.38 -1.04 0.19 115.31 119.98 3iiz h LEU 7 Ca 0.28 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.23 3iiz h LEU 7 Cb -0.10 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3iiz h LEU 7 CO -0.07 0.41 0.49 -0.33 0.09 0.00 0.00 178.44 179.03 3iiz h GLU 8 N 0.50 0.89 -0.38 1.13 5.08 -0.80 0.16 114.58 121.16 3iiz h GLU 8 Ca 0.14 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3iiz h GLU 8 Cb 0.03 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3iiz h GLU 8 CO -0.02 0.59 -0.03 0.87 -1.00 0.00 0.00 179.01 179.42 3iiz h LYS 9 N 0.92 0.69 -0.70 2.33 1.57 -0.57 -1.10 116.57 119.71 3iiz h LYS 9 Ca 0.34 -0.23 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 3iiz h LYS 9 Cb 0.11 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 3iiz h LYS 9 CO -0.15 0.81 0.39 -0.07 -0.57 0.00 0.00 179.45 179.85 3iiz h LEU 10 N 0.50 0.56 -1.52 2.94 3.38 -0.15 0.77 115.31 121.80 3iiz h LEU 10 Ca 0.10 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3iiz h LEU 10 Cb 0.51 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3iiz h LEU 10 CO 0.03 0.35 -0.24 -0.33 0.09 0.00 0.00 178.44 178.33 3iiz h GLU 11 N 0.70 0.00 -0.17 1.13 5.08 -0.38 -1.92 114.58 119.01 3iiz h GLU 11 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3iiz h GLU 11 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3iiz h GLU 11 CO -0.20 0.24 0.00 0.54 -1.00 0.00 0.00 179.01 178.59 3iiz n ARG 12 N -3.93 1.65 -2.64 2.33 1.74 -0.44 -4.93 116.66 110.44 3iiz n ARG 12 Ca -0.02 -0.98 -0.17 0.00 -0.77 0.00 0.00 57.85 55.91 3iiz n ARG 12 Cb 0.33 -1.36 0.01 0.00 -1.02 0.00 0.00 32.46 30.42 3iiz n ARG 12 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3iiz n ARG 13 N 0.22 -2.86 -2.68 5.56 5.12 -0.72 -4.94 116.66 116.36 3iiz n ARG 13 Ca 0.15 0.75 -0.43 0.00 -1.93 0.00 0.00 57.85 56.39 3iiz n ARG 13 Cb 0.29 -5.20 0.00 0.00 -1.16 0.00 0.00 32.46 26.39 3iiz n ARG 13 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3iiz n GLU 14 N -3.04 3.54 -2.34 5.56 4.71 0.22 -4.89 120.64 124.39 3iiz n GLU 14 Ca -0.13 -3.75 -0.41 0.00 -0.01 0.00 0.00 57.16 52.85 3iiz n GLU 14 Cb 0.62 -2.95 0.00 0.00 -1.01 0.00 0.00 31.44 28.10 3iiz n GLU 14 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3iiz n PHE 15 N 4.55 2.66 -2.87 -0.32 0.99 -1.26 -4.62 117.46 116.60 3iiz n PHE 15 Ca 0.37 -2.73 -0.29 0.00 -0.00 0.00 0.00 57.45 54.80 3iiz n PHE 15 Cb 0.39 -1.69 -0.02 0.00 -1.00 0.00 0.00 39.48 37.15 3iiz n PHE 15 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3iiz s THR 16 N -1.37 4.85 0.38 4.37 -4.23 -1.26 -4.96 115.64 113.42 3iiz s THR 16 Ca 0.44 0.45 0.12 0.00 -1.18 0.00 0.00 61.69 61.52 3iiz s THR 16 Cb 0.14 -3.76 0.34 0.00 1.34 0.00 0.00 72.50 70.56 3iiz s THR 16 CO -0.04 -0.57 1.88 -0.09 -0.54 0.00 0.00 174.62 175.26 3iiz h ARG 17 N 1.08 0.56 -0.49 3.99 2.43 -1.98 -2.10 114.38 117.86 3iiz h ARG 17 Ca -0.47 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.63 3iiz h ARG 17 Cb 1.19 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 3iiz h ARG 17 CO 0.64 0.37 0.15 0.93 -1.51 0.00 0.00 179.97 180.55 3iiz h GLU 18 N 0.57 0.77 -0.40 0.20 3.07 -1.96 -1.88 114.58 114.94 3iiz h GLU 18 Ca 0.44 -0.16 -0.09 0.00 -0.50 0.00 0.00 59.36 59.05 3iiz h GLU 18 Cb 0.84 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 3iiz h GLU 18 CO -0.18 0.72 -0.08 0.28 -1.40 0.00 0.00 179.01 178.34 3iiz h VAL 19 N 0.66 1.27 -0.54 3.13 2.07 -1.70 -2.54 116.25 118.60 3iiz h VAL 19 Ca 0.16 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 3iiz h VAL 19 Cb 0.27 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3iiz h VAL 19 CO -0.01 0.39 0.15 -0.07 0.02 0.00 0.00 177.57 178.06 3iiz h LEU 20 N 0.58 0.80 -0.70 2.57 3.38 -1.29 -0.29 115.31 120.36 3iiz h LEU 20 Ca 0.10 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3iiz h LEU 20 Cb 0.60 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3iiz h LEU 20 CO 0.04 0.81 0.26 0.50 0.09 0.00 0.00 178.44 180.14 3iiz h LYS 21 N 0.75 1.05 -0.32 1.13 3.64 -1.30 -1.34 116.57 120.17 3iiz h LYS 21 Ca 0.17 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3iiz h LYS 21 Cb 0.31 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3iiz h LYS 21 CO -0.00 0.88 0.03 1.49 -2.27 0.00 0.00 179.45 179.58 3iiz h GLU 22 N 1.00 0.55 -0.64 1.90 4.57 -1.20 0.14 114.58 120.90 3iiz h GLU 22 Ca 0.23 -0.16 0.11 0.00 -1.18 0.00 0.00 59.36 58.36 3iiz h GLU 22 Cb 0.23 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.68 3iiz h GLU 22 CO -0.02 0.66 0.21 0.00 -1.18 0.00 0.00 179.01 178.69 3iiz h ALA 23 N 0.87 0.83 0.00 2.92 0.00 -0.75 -0.26 119.26 122.87 3iiz h ALA 23 Ca 0.10 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3iiz h ALA 23 Cb 0.39 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3iiz h ALA 23 CO 0.01 -0.23 -0.03 -0.07 0.00 0.00 0.00 179.25 178.93 3iiz h LEU 24 N 0.37 0.00 0.09 0.00 3.38 -0.98 -3.30 115.31 114.87 3iiz h LEU 24 Ca 0.34 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.99 3iiz h LEU 24 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3iiz h LEU 24 CO -0.36 0.03 -1.70 0.28 0.09 0.00 0.00 178.44 176.77 3iiz h SER 25 N 0.00 0.29 -2.81 -0.43 0.02 -0.20 -3.46 113.55 106.97 3iiz h SER 25 Ca -0.00 -0.52 -0.53 0.00 -0.84 0.00 0.00 61.79 59.90 3iiz h SER 25 Cb 0.86 -0.10 0.03 0.00 0.14 0.00 0.00 62.40 63.34 3iiz h SER 25 CO 0.00 1.45 0.89 -0.63 -1.14 0.00 0.00 176.83 177.41 3iiz s ILE 26 N -2.60 2.86 -1.31 3.27 1.01 -0.18 -4.91 121.20 119.34 3iiz s ILE 26 Ca -0.12 0.54 0.15 0.00 0.00 0.00 0.00 60.65 61.22 3iiz s ILE 26 Cb 0.07 -3.35 0.43 0.00 0.01 0.00 0.00 42.46 39.63 3iiz s ILE 26 CO 0.82 0.03 1.36 0.59 0.00 0.00 0.00 174.94 177.74 3iiz n ASN 27 N 4.50 3.30 -4.71 3.58 3.02 -1.26 -4.91 115.26 118.78 3iiz n ASN 27 Ca 0.14 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.27 3iiz n ASN 27 Cb 0.40 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 3iiz n ASN 27 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3iiz s ASP 28 N -1.00 6.56 0.15 6.41 2.15 -1.26 -4.93 116.67 124.75 3iiz s ASP 28 Ca 0.33 2.62 -0.18 0.00 0.43 0.00 0.00 52.55 55.75 3iiz s ASP 28 Cb 0.17 -2.59 0.05 0.00 -0.30 0.00 0.00 42.92 40.25 3iiz s ASP 28 CO 0.22 -0.86 1.70 -0.09 -0.17 0.00 0.00 175.17 175.98 3iiz h ARG 29 N 7.16 0.07 -0.57 4.34 2.43 -1.99 -1.02 114.38 124.79 3iiz h ARG 29 Ca -0.43 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.77 3iiz h ARG 29 Cb 1.20 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 3iiz h ARG 29 CO 0.92 0.04 0.34 0.78 -1.51 0.00 0.00 179.97 180.55 3iiz h GLY 30 N 0.07 0.82 0.90 2.80 0.00 -1.99 0.71 103.07 106.38 3iiz h GLY 30 Ca 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 3iiz h GLY 30 CO -0.27 0.21 0.01 -2.75 0.00 0.00 0.00 176.54 173.74 3iiz h PHE 31 N 0.68 0.02 -0.53 5.60 3.57 -1.88 -1.64 116.94 122.76 3iiz h PHE 31 Ca 0.23 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.78 3iiz h PHE 31 Cb 0.03 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 3iiz h PHE 31 CO -0.06 0.11 0.26 -0.91 -2.23 0.00 0.00 178.31 175.48 3iiz h ASN 32 N -0.07 0.36 -0.61 0.41 2.35 -0.81 0.76 115.58 117.96 3iiz h ASN 32 Ca 0.01 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 3iiz h ASN 32 Cb 0.10 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3iiz h ASN 32 CO -0.00 0.24 0.13 -0.33 -1.65 0.00 0.00 177.43 175.82 3iiz h GLU 33 N 0.50 1.01 -0.67 0.81 5.08 -0.75 -0.34 114.58 120.22 3iiz h GLU 33 Ca 0.24 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3iiz h GLU 33 Cb 0.16 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3iiz h GLU 33 CO -0.18 0.92 0.19 0.00 -1.00 0.00 0.00 179.01 178.94 3iiz h ALA 34 N 1.17 0.88 -0.40 3.43 0.00 -0.70 -1.07 119.26 122.57 3iiz h ALA 34 Ca 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3iiz h ALA 34 Cb 0.38 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3iiz h ALA 34 CO 0.01 0.57 0.22 1.25 0.00 0.00 0.00 179.25 181.30 3iiz h LEU 35 N 0.99 0.50 -0.74 0.00 5.85 -0.25 -0.36 115.31 121.30 3iiz h LEU 35 Ca 0.21 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 3iiz h LEU 35 Cb 0.33 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3iiz h LEU 35 CO -0.00 0.45 0.25 -0.26 -0.34 0.00 0.00 178.44 178.53 3iiz h PHE 36 N 0.52 1.17 -0.67 1.25 0.04 -0.92 -1.25 116.94 117.07 3iiz h PHE 36 Ca 0.14 -0.11 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 3iiz h PHE 36 Cb 0.06 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 37.84 3iiz h PHE 36 CO -0.02 0.91 0.13 -0.22 -0.60 0.00 0.00 178.31 178.51 3iiz h LYS 37 N 1.08 1.08 -0.04 1.51 1.63 -0.88 0.61 116.57 121.56 3iiz h LYS 37 Ca 0.24 -0.27 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3iiz h LYS 37 Cb 0.28 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.77 3iiz h LYS 37 CO -0.01 0.97 0.02 1.25 -3.45 0.00 0.00 179.45 178.23 3iiz h LEU 38 N 1.02 0.06 -0.92 5.20 5.85 -0.71 -0.14 115.31 125.67 3iiz h LEU 38 Ca 0.21 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3iiz h LEU 38 Cb 0.40 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3iiz h LEU 38 CO 0.01 0.21 0.52 0.00 -0.34 0.00 0.00 178.44 178.83 3iiz h ALA 39 N 0.86 1.18 -0.54 1.25 0.00 -0.94 -0.65 119.26 120.41 3iiz h ALA 39 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3iiz h ALA 39 Cb 0.17 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3iiz h ALA 39 CO -0.00 0.67 0.29 0.22 0.00 0.00 0.00 179.25 180.42 3iiz h ASP 40 N 1.28 0.68 -0.37 0.00 3.58 -0.62 -0.84 116.42 120.13 3iiz h ASP 40 Ca 0.32 -0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.59 3iiz h ASP 40 Cb 0.00 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 3iiz h ASP 40 CO -0.05 0.58 -0.08 -0.08 -2.88 0.00 0.00 179.24 176.73 3iiz h GLU 41 N 0.72 0.71 -0.37 0.28 4.57 -0.62 -1.15 114.58 118.72 3iiz h GLU 41 Ca 0.19 -0.27 0.01 0.00 -1.18 0.00 0.00 59.36 58.11 3iiz h GLU 41 Cb 0.06 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3iiz h GLU 41 CO -0.03 0.85 0.24 0.82 -1.18 0.00 0.00 179.01 179.71 3iiz h ILE 42 N 0.51 1.08 -0.32 2.32 2.04 -0.99 0.48 117.51 122.63 3iiz h ILE 42 Ca 0.09 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.86 3iiz h ILE 42 Cb 0.59 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 3iiz h ILE 42 CO 0.03 0.09 -0.18 -0.09 0.00 0.00 0.00 178.15 178.00 3iiz h ARG 43 N 0.48 -0.14 -0.47 2.37 1.12 -1.04 0.36 114.38 117.07 3iiz h ARG 43 Ca 0.14 0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 59.01 3iiz h ARG 43 Cb -0.04 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 29.93 3iiz h ARG 43 CO -0.04 -0.09 0.25 -0.09 -3.11 0.00 0.00 179.97 176.89 3iiz h ARG 44 N -0.14 0.66 -0.52 0.20 2.43 -0.69 0.58 114.38 116.89 3iiz h ARG 44 Ca 0.16 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 3iiz h ARG 44 Cb 0.40 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3iiz h ARG 44 CO -0.41 0.53 -0.14 0.87 -1.51 0.00 0.00 179.97 179.31 3iiz h LYS 45 N 0.61 1.01 0.08 0.20 1.57 -0.48 -1.88 116.57 117.68 3iiz h LYS 45 Ca 0.16 -0.39 -0.36 0.00 -1.87 0.00 0.00 60.65 58.20 3iiz h LYS 45 Cb 0.07 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3iiz h LYS 45 CO -0.02 1.07 -2.04 0.66 -0.57 0.00 0.00 179.45 178.54 3iiz n TYR 46 N -4.13 0.95 0.08 -1.35 4.02 0.08 -4.55 117.16 112.26 3iiz n TYR 46 Ca 0.01 0.23 0.01 0.00 -0.01 0.00 0.00 57.90 58.14 3iiz n TYR 46 Cb 0.42 -1.13 0.01 0.00 -0.02 0.00 0.00 39.34 38.62 3iiz n TYR 46 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3iiz n VAL 47 N -3.33 0.16 -4.45 -0.72 0.24 0.16 -4.92 118.33 105.47 3iiz n VAL 47 Ca -0.32 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.40 3iiz n VAL 47 Cb 1.05 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 34.38 3iiz n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iiz n GLY 48 N 0.07 -1.20 0.45 7.63 0.00 -0.71 -4.34 105.19 107.10 3iiz n GLY 48 Ca 0.02 -1.19 0.13 0.00 0.00 0.00 0.00 46.02 44.97 3iiz n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iiz n ASP 49 N -0.96 1.61 -4.71 1.61 8.00 -1.26 -4.48 116.55 116.34 3iiz n ASP 49 Ca 0.00 -1.33 -0.42 0.00 0.71 0.00 0.00 54.79 53.75 3iiz n ASP 49 Cb 0.00 0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 3iiz n ASP 49 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3iiz s GLU 50 N -2.28 4.26 -0.24 -1.24 2.02 -1.26 -1.44 118.70 118.53 3iiz s GLU 50 Ca 0.28 2.22 -0.05 0.00 0.02 0.00 0.00 54.97 57.45 3iiz s GLU 50 Cb 0.20 -3.22 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 3iiz s GLU 50 CO 0.44 -0.54 -0.01 0.08 0.02 0.00 0.00 175.26 175.26 3iiz s VAL 51 N 1.22 3.55 -0.07 2.63 1.01 0.48 -4.85 120.40 124.37 3iiz s VAL 51 Ca 0.68 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.93 3iiz s VAL 51 Cb -0.40 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3iiz s VAL 51 CO 0.31 0.35 0.62 -1.00 0.00 0.00 0.00 175.10 175.38 3iiz s HIS 52 N 1.49 3.58 -0.26 5.22 0.09 -0.70 -2.26 115.29 122.44 3iiz s HIS 52 Ca 0.05 1.15 -0.11 0.00 -0.00 0.00 0.00 55.06 56.14 3iiz s HIS 52 Cb -0.15 -2.71 -0.05 0.00 -0.00 0.00 0.00 32.58 29.68 3iiz s HIS 52 CO -0.02 0.15 0.20 0.42 -0.00 0.00 0.00 174.74 175.50 3iiz s ILE 53 N 0.59 5.31 -0.30 0.60 1.01 -1.26 -1.28 121.20 125.88 3iiz s ILE 53 Ca 0.33 0.23 -0.04 0.00 0.00 0.00 0.00 60.65 61.17 3iiz s ILE 53 Cb -0.17 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.79 3iiz s ILE 53 CO 0.16 0.28 0.03 -0.13 0.00 0.00 0.00 174.94 175.28 3iiz s ARG 54 N 1.50 2.70 -0.22 2.79 1.81 -0.10 -4.00 118.95 123.44 3iiz s ARG 54 Ca 0.08 -1.10 -0.26 0.00 -1.72 0.00 0.00 55.73 52.74 3iiz s ARG 54 Cb -0.15 -3.26 -0.01 0.00 -0.45 0.00 0.00 34.95 31.09 3iiz s ARG 54 CO 0.08 -0.55 0.87 0.00 -0.68 0.00 0.00 175.30 175.02 3iiz s ALA 55 N 1.36 3.61 -0.19 2.13 0.00 -0.62 -3.13 121.76 124.92 3iiz s ALA 55 Ca -0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 3iiz s ALA 55 Cb -0.18 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3iiz s ALA 55 CO 0.00 -0.86 0.06 -1.50 0.00 0.00 0.00 175.76 173.46 3iiz s ILE 56 N 2.69 4.66 -0.26 0.00 2.07 -0.86 -0.42 121.20 129.08 3iiz s ILE 56 Ca 0.37 -0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.52 3iiz s ILE 56 Cb -0.16 -3.11 0.03 0.00 0.13 0.00 0.00 42.46 39.35 3iiz s ILE 56 CO 0.09 0.43 -0.04 -0.63 -1.91 0.00 0.00 174.94 172.89 3iiz s ILE 57 N 0.63 3.01 -0.87 2.00 1.01 0.32 0.23 121.20 127.53 3iiz s ILE 57 Ca 0.03 -1.05 -0.17 0.00 0.00 0.00 0.00 60.65 59.47 3iiz s ILE 57 Cb -0.13 -2.57 0.17 0.00 0.01 0.00 0.00 42.46 39.94 3iiz s ILE 57 CO 0.02 0.14 0.96 -1.61 0.00 0.00 0.00 174.94 174.44 3iiz s GLU 58 N 1.33 3.58 0.15 2.79 2.02 -1.26 -1.40 118.70 125.92 3iiz s GLU 58 Ca -0.00 -2.05 0.24 0.00 0.02 0.00 0.00 54.97 53.18 3iiz s GLU 58 Cb -0.17 -4.68 0.35 0.00 0.10 0.00 0.00 34.13 29.72 3iiz s GLU 58 CO -0.03 -1.56 1.34 0.27 0.02 0.00 0.00 175.26 175.30 3iiz h PHE 59 N 8.39 0.00 -2.52 1.61 -5.15 -1.65 -3.45 116.94 114.17 3iiz h PHE 59 Ca 0.12 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.79 3iiz h PHE 59 Cb 1.03 0.00 -0.23 0.00 0.22 0.00 0.00 35.95 36.97 3iiz h PHE 59 CO 1.10 0.00 -0.13 0.45 -2.00 0.00 0.00 178.31 177.73 3iiz s SER 60 N -4.48 -0.53 -0.05 -0.68 0.15 -1.26 -0.83 113.70 106.02 3iiz s SER 60 Ca 0.06 1.02 0.14 0.00 0.70 0.00 0.00 55.95 57.87 3iiz s SER 60 Cb 0.12 1.02 0.46 0.00 -1.71 0.00 0.00 66.02 65.91 3iiz s SER 60 CO 0.71 -0.18 1.38 -0.46 1.20 0.00 0.00 173.24 175.90 3iiz n ASN 61 N 2.93 3.52 -4.71 5.45 6.94 -1.01 -1.59 115.26 126.80 3iiz n ASN 61 Ca -0.14 -2.25 -0.42 0.00 -0.02 0.00 0.00 54.58 51.75 3iiz n ASN 61 Cb 0.56 -0.38 -0.03 0.00 -2.36 0.00 0.00 39.78 37.58 3iiz n ASN 61 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3iiz s VAL 62 N -1.46 4.03 -0.00 3.53 1.01 -1.26 -4.75 120.40 121.50 3iiz s VAL 62 Ca 0.34 1.44 0.01 0.00 0.00 0.00 0.00 61.98 63.77 3iiz s VAL 62 Cb 0.21 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3iiz s VAL 62 CO 0.18 0.09 -0.02 0.00 0.00 0.00 0.00 175.10 175.36 3iiz h ARG 64 N 6.16 0.00 -6.55 0.00 0.11 -1.57 -3.36 114.38 109.18 3iiz h ARG 64 Ca -0.26 0.00 -0.43 0.00 0.10 0.00 0.00 59.98 59.39 3iiz h ARG 64 Cb 1.20 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.31 3iiz h ARG 64 CO 0.51 0.00 -0.20 0.15 0.10 0.00 0.00 179.97 180.52 3iiz s LYS 65 N -3.16 2.83 -0.20 0.08 1.02 -1.26 -4.82 119.74 114.24 3iiz s LYS 65 Ca 0.07 -1.00 0.17 0.00 0.02 0.00 0.00 55.97 55.23 3iiz s LYS 65 Cb 0.12 -2.68 0.46 0.00 -0.52 0.00 0.00 37.83 35.21 3iiz s LYS 65 CO 0.69 -0.32 1.17 -1.71 -0.92 0.00 0.00 175.35 174.26 3iiz n ASN 66 N -1.96 2.32 -4.60 2.83 5.15 -1.26 -0.85 115.26 116.89 3iiz n ASN 66 Ca 0.06 -2.83 -0.50 0.00 -0.60 0.00 0.00 54.58 50.71 3iiz n ASN 66 Cb 0.59 -0.41 -0.05 0.00 -0.53 0.00 0.00 39.78 39.38 3iiz n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iiz h LEU 68 N 4.29 0.00 0.00 0.00 4.07 -1.08 -2.93 115.31 119.66 3iiz h LEU 68 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 3iiz h LEU 68 Cb 1.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.06 3iiz h LEU 68 CO 0.76 0.10 -0.68 0.10 -1.08 0.00 0.00 178.44 177.64 3iiz h TYR 69 N 0.00 0.00 -3.38 1.13 -0.00 -1.88 -3.33 116.97 109.51 3iiz h TYR 69 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 58.73 58.12 3iiz h TYR 69 Cb 0.37 0.00 -0.14 0.00 0.00 0.00 0.00 36.73 36.96 3iiz h TYR 69 CO 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 178.16 177.65 3iiz h GLY 71 N 6.98 0.00 -0.02 0.00 0.00 -1.24 -2.29 103.07 106.51 3iiz h GLY 71 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3iiz h GLY 71 CO 0.71 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.29 3iiz n LEU 72 N -3.00 1.00 -4.55 3.11 4.77 -1.26 -4.83 117.00 112.24 3iiz n LEU 72 Ca -0.02 -0.35 -0.40 0.00 -0.03 0.00 0.00 56.01 55.21 3iiz n LEU 72 Cb 0.12 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3iiz n LEU 72 CO 0.21 0.17 0.35 -2.11 -1.33 0.00 0.00 177.39 174.69 3iiz n ARG 73 N -0.20 0.92 0.16 3.23 1.85 -0.86 -4.30 116.66 117.46 3iiz n ARG 73 Ca 0.20 0.34 0.06 0.00 -1.00 0.00 0.00 57.85 57.45 3iiz n ARG 73 Cb 0.27 -1.86 0.54 0.00 -1.05 0.00 0.00 32.46 30.35 3iiz n ARG 73 CO 0.00 0.00 0.00 0.07 -0.01 0.00 0.00 177.63 177.69 3iiz h ARG 74 N 0.94 0.19 0.00 2.89 0.11 -1.15 -1.38 114.38 116.00 3iiz h ARG 74 Ca -0.44 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.62 3iiz h ARG 74 Cb 1.37 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.41 3iiz h ARG 74 CO 0.53 0.16 0.00 -0.25 0.10 0.00 0.00 179.97 180.50 3iiz n ASP 75 N -4.49 0.00 -4.55 0.08 8.00 -1.26 -4.56 116.55 109.77 3iiz n ASP 75 Ca -0.01 0.46 -0.40 0.00 0.71 0.00 0.00 54.79 55.55 3iiz n ASP 75 Cb 0.10 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.69 3iiz n ASP 75 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3iiz s ASN 76 N -2.96 5.94 0.07 -2.24 2.47 -0.52 -4.83 114.94 112.87 3iiz s ASN 76 Ca 0.09 -0.35 0.28 0.00 0.42 0.00 0.00 52.86 53.30 3iiz s ASN 76 Cb 0.11 -2.55 1.02 0.00 -1.45 0.00 0.00 41.25 38.38 3iiz s ASN 76 CO 0.31 -1.97 1.82 0.29 -3.72 0.00 0.00 177.10 173.83 3iiz n LYS 77 N 9.28 0.10 -1.38 0.43 5.02 -1.26 -4.33 118.16 126.02 3iiz n LYS 77 Ca 0.11 0.07 -0.26 0.00 -2.02 0.00 0.00 58.31 56.22 3iiz n LYS 77 Cb 0.50 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 3iiz n LYS 77 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3iiz n ASN 78 N -1.77 6.56 -3.66 4.39 3.02 -1.26 -4.81 115.26 117.72 3iiz n ASN 78 Ca 0.06 -3.22 -0.07 0.00 -0.03 0.00 0.00 54.58 51.32 3iiz n ASN 78 Cb 0.37 -1.18 -0.08 0.00 -0.61 0.00 0.00 39.78 38.28 3iiz n ASN 78 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3iiz s LEU 79 N -2.24 -0.65 0.02 3.41 2.96 -1.26 -5.10 118.68 115.81 3iiz s LEU 79 Ca 0.53 1.13 -0.30 0.00 -0.22 0.00 0.00 54.13 55.27 3iiz s LEU 79 Cb 0.36 1.63 -0.06 0.00 0.50 0.00 0.00 46.19 48.63 3iiz s LEU 79 CO -0.18 -0.22 1.43 -0.54 -1.32 0.00 0.00 176.35 175.52 3iiz s LYS 80 N 2.31 4.28 0.15 1.98 1.02 -1.26 -5.01 119.74 123.21 3iiz s LYS 80 Ca -0.05 2.02 -0.14 0.00 0.02 0.00 0.00 55.97 57.82 3iiz s LYS 80 Cb -0.11 -3.55 -0.07 0.00 -0.52 0.00 0.00 37.83 33.58 3iiz s LYS 80 CO -0.15 -0.58 0.54 1.03 -0.92 0.00 0.00 175.35 175.27 3iiz s ARG 81 N 2.33 3.95 0.05 1.68 1.81 -1.26 -4.93 118.95 122.57 3iiz s ARG 81 Ca 0.65 0.46 -0.03 0.00 -1.72 0.00 0.00 55.73 55.09 3iiz s ARG 81 Cb -0.33 -2.91 -0.02 0.00 -0.45 0.00 0.00 34.95 31.24 3iiz s ARG 81 CO 0.27 0.47 0.03 1.52 -0.68 0.00 0.00 175.30 176.92 3iiz s TYR 82 N -1.49 0.34 -0.05 -0.53 -0.85 -1.26 -5.04 117.35 108.47 3iiz s TYR 82 Ca 0.38 -0.76 -0.02 0.00 -0.52 0.00 0.00 57.07 56.15 3iiz s TYR 82 Cb -0.15 -0.25 0.03 0.00 0.38 0.00 0.00 41.96 41.98 3iiz s TYR 82 CO 0.19 -0.37 0.09 1.03 -1.52 0.00 0.00 175.55 174.98 3iiz s ARG 83 N -3.14 -0.05 0.44 -3.49 0.52 -1.26 -2.40 118.95 109.58 3iiz s ARG 83 Ca -0.00 0.43 -0.23 0.00 -0.52 0.00 0.00 55.73 55.41 3iiz s ARG 83 Cb 0.02 -0.44 -0.08 0.00 0.52 0.00 0.00 34.95 34.97 3iiz s ARG 83 CO -0.07 -0.32 1.10 -1.64 0.02 0.00 0.00 175.30 174.39 3iiz s MET 84 N 2.19 3.92 0.64 3.54 -1.94 -0.01 -5.02 119.30 122.62 3iiz s MET 84 Ca 0.04 1.60 -0.13 0.00 -1.71 0.00 0.00 55.69 55.49 3iiz s MET 84 Cb -0.12 -2.41 -0.02 0.00 2.01 0.00 0.00 34.83 34.29 3iiz s MET 84 CO -0.04 -0.37 1.05 0.95 -0.01 0.00 0.00 175.02 176.60 3iiz s THR 85 N -1.66 3.95 0.38 2.05 -4.23 -1.26 -4.85 115.64 110.02 3iiz s THR 85 Ca 0.62 0.78 0.09 0.00 -1.18 0.00 0.00 61.69 62.00 3iiz s THR 85 Cb -0.24 -3.41 0.31 0.00 1.34 0.00 0.00 72.50 70.50 3iiz s THR 85 CO 0.29 -0.68 1.95 -0.65 -0.54 0.00 0.00 174.62 175.00 3iiz h PRO 86 N -0.08 0.62 -0.61 3.99 0.11 -1.97 -0.32 132.00 133.75 3iiz h PRO 86 Ca -0.45 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3iiz h PRO 86 Cb 1.21 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3iiz h PRO 86 CO 0.57 0.41 0.13 0.93 -0.21 0.00 0.00 178.00 179.83 3iiz h GLU 87 N 0.64 0.99 -0.70 1.05 3.07 -1.99 -1.06 114.58 116.58 3iiz h GLU 87 Ca 0.32 -0.25 -0.05 0.00 -0.50 0.00 0.00 59.36 58.89 3iiz h GLU 87 Cb 0.41 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 3iiz h GLU 87 CO -0.11 0.91 0.26 0.93 -1.40 0.00 0.00 179.01 179.60 3iiz h GLU 88 N 0.90 1.06 -0.17 2.33 5.08 -1.57 -1.39 114.58 120.82 3iiz h GLU 88 Ca 0.19 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3iiz h GLU 88 Cb 0.38 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3iiz h GLU 88 CO 0.01 0.89 -0.05 0.82 -1.00 0.00 0.00 179.01 179.68 3iiz h ILE 89 N 1.01 1.29 -0.54 3.13 2.04 -0.85 -0.18 117.51 123.41 3iiz h ILE 89 Ca 0.23 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 3iiz h ILE 89 Cb 0.24 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 3iiz h ILE 89 CO -0.01 0.31 0.18 0.58 0.00 0.00 0.00 178.15 179.21 3iiz h VAL 90 N 0.03 1.23 0.00 1.67 2.07 -1.09 -0.41 116.25 119.75 3iiz h VAL 90 Ca 0.04 -0.76 -0.13 0.00 0.82 0.00 0.00 66.70 66.68 3iiz h VAL 90 Cb 0.49 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3iiz h VAL 90 CO 0.02 0.28 -0.60 -0.33 0.02 0.00 0.00 177.57 176.97 3iiz h GLU 91 N 0.75 0.00 -0.41 1.57 4.39 -1.20 -0.24 114.58 119.43 3iiz h GLU 91 Ca 0.18 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.81 3iiz h GLU 91 Cb 0.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3iiz h GLU 91 CO -0.01 0.60 -0.02 -0.09 -1.16 0.00 0.00 179.01 178.33 3iiz h ARG 92 N 0.00 0.74 -0.45 2.33 9.65 -0.64 -1.30 114.38 124.71 3iiz h ARG 92 Ca -0.01 -0.25 0.02 0.00 -1.10 0.00 0.00 59.98 58.65 3iiz h ARG 92 Cb 1.06 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.54 3iiz h ARG 92 CO 0.08 0.83 0.26 0.00 2.80 0.00 0.00 179.97 183.94 3iiz h ALA 93 N 0.88 0.57 -0.87 2.80 0.00 -0.75 -1.84 119.26 120.05 3iiz h ALA 93 Ca 0.11 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3iiz h ALA 93 Cb 0.51 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3iiz h ALA 93 CO 0.03 -0.07 0.54 -0.09 0.00 0.00 0.00 179.25 179.66 3iiz h ARG 94 N 0.52 0.96 -0.69 0.00 2.43 -0.76 -0.04 114.38 116.80 3iiz h ARG 94 Ca 0.18 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3iiz h ARG 94 Cb 0.03 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 3iiz h ARG 94 CO -0.09 0.64 0.19 1.25 -1.51 0.00 0.00 179.97 180.44 3iiz h LEU 95 N 0.99 1.02 -0.65 3.80 5.85 -0.88 0.23 115.31 125.66 3iiz h LEU 95 Ca 0.38 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3iiz h LEU 95 Cb 0.17 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3iiz h LEU 95 CO -0.17 0.96 0.42 0.00 -0.34 0.00 0.00 178.44 179.31 3iiz h ALA 96 N 1.17 0.83 -0.56 1.25 0.00 -0.44 -0.99 119.26 120.52 3iiz h ALA 96 Ca 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3iiz h ALA 96 Cb 0.33 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3iiz h ALA 96 CO -0.00 0.23 0.26 0.28 0.00 0.00 0.00 179.25 180.02 3iiz h VAL 97 N 0.86 1.21 -0.59 0.00 2.07 -0.54 -0.79 116.25 118.46 3iiz h VAL 97 Ca 0.24 -0.60 0.11 0.00 0.82 0.00 0.00 66.70 67.27 3iiz h VAL 97 Cb -0.08 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3iiz h VAL 97 CO -0.06 0.24 0.40 1.56 0.02 0.00 0.00 177.57 179.73 3iiz h GLN 98 N 0.75 0.32 -0.07 1.57 4.20 -0.59 -0.11 115.11 121.19 3iiz h GLN 98 Ca 0.19 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3iiz h GLN 98 Cb 0.14 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3iiz h GLN 98 CO -0.02 0.21 0.00 1.19 -0.67 0.00 0.00 178.83 179.54 3iiz n PHE 99 N -4.46 0.08 -0.05 2.96 3.01 -0.41 -4.91 117.46 113.69 3iiz n PHE 99 Ca 0.10 -0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.52 3iiz n PHE 99 Cb 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 3iiz n PHE 99 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3iiz n GLY 100 N 0.90 0.57 3.73 1.37 0.00 -0.06 -4.95 105.19 106.75 3iiz n GLY 100 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3iiz n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iiz s ALA 101 N -2.08 3.87 -0.66 4.61 0.00 -0.40 -4.90 121.76 122.20 3iiz s ALA 101 Ca 0.00 1.55 0.17 0.00 0.00 0.00 0.00 51.96 53.68 3iiz s ALA 101 Cb 0.00 -3.67 -0.20 0.00 0.00 0.00 0.00 23.12 19.25 3iiz s ALA 101 CO 0.00 -0.92 0.66 1.63 0.00 0.00 0.00 175.76 177.13 3iiz n LYS 102 N 3.53 1.23 -4.52 0.00 5.02 -1.26 -4.44 118.16 117.73 3iiz n LYS 102 Ca 0.14 -0.03 -0.21 0.00 -2.02 0.00 0.00 58.31 56.18 3iiz n LYS 102 Cb 0.36 -1.32 -0.15 0.00 -0.02 0.00 0.00 35.03 33.90 3iiz n LYS 102 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3iiz s THR 103 N -2.72 0.95 -0.18 -0.18 2.01 -1.26 -1.36 115.64 112.91 3iiz s THR 103 Ca 0.04 -0.48 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 3iiz s THR 103 Cb 0.13 -0.82 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 3iiz s THR 103 CO 0.70 0.28 -0.05 -0.63 -0.69 0.00 0.00 174.62 174.23 3iiz s ILE 104 N -0.01 3.52 -0.21 1.82 -1.09 0.01 -1.59 121.20 123.65 3iiz s ILE 104 Ca -0.00 -0.47 -0.07 0.00 -2.23 0.00 0.00 60.65 57.88 3iiz s ILE 104 Cb -0.08 -2.56 -0.03 0.00 -1.58 0.00 0.00 42.46 38.21 3iiz s ILE 104 CO 0.00 0.46 0.06 -0.69 -1.23 0.00 0.00 174.94 173.54 3iiz s VAL 105 N 0.87 4.48 -0.29 2.92 1.01 0.44 -0.77 120.40 129.05 3iiz s VAL 105 Ca -0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 3iiz s VAL 105 Cb -0.15 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 3iiz s VAL 105 CO 0.01 0.41 0.14 -0.76 0.00 0.00 0.00 175.10 174.90 3iiz s LEU 106 N 0.94 3.96 0.05 3.92 1.43 -0.19 -0.52 118.68 128.28 3iiz s LEU 106 Ca 0.03 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 3iiz s LEU 106 Cb -0.14 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 3iiz s LEU 106 CO 0.03 -0.15 -0.18 -1.58 0.23 0.00 0.00 176.35 174.70 3iiz s GLN 107 N 1.63 1.17 0.25 1.70 0.74 -0.49 -0.85 119.66 123.80 3iiz s GLN 107 Ca 0.05 -0.91 -0.17 0.00 0.05 0.00 0.00 55.36 54.38 3iiz s GLN 107 Cb -0.17 -1.27 0.01 0.00 1.10 0.00 0.00 33.01 32.69 3iiz s GLN 107 CO 0.06 0.32 0.59 -1.54 -0.55 0.00 0.00 175.29 174.16 3iiz s SER 108 N -1.30 -0.20 1.11 6.67 1.04 -1.04 -1.47 113.70 118.52 3iiz s SER 108 Ca 0.05 -0.70 -0.12 0.00 0.48 0.00 0.00 55.95 55.66 3iiz s SER 108 Cb -0.09 0.64 0.25 0.00 0.10 0.00 0.00 66.02 66.93 3iiz s SER 108 CO 0.02 -1.21 1.06 -0.83 0.98 0.00 0.00 173.24 173.26 3iiz s GLY 109 N -2.95 1.58 -1.16 7.32 0.00 -0.62 -4.65 107.32 106.84 3iiz s GLY 109 Ca 0.15 0.05 -0.21 0.00 0.00 0.00 0.00 44.72 44.70 3iiz s GLY 109 CO 0.06 0.69 1.78 -0.54 0.00 0.00 0.00 173.10 175.09 3iiz s GLU 110 N -4.51 3.22 -0.45 2.90 2.02 -1.21 -4.81 118.70 115.86 3iiz s GLU 110 Ca 0.68 -1.33 -0.14 0.00 0.02 0.00 0.00 54.97 54.21 3iiz s GLU 110 Cb -0.24 -5.34 0.07 0.00 0.10 0.00 0.00 34.13 28.71 3iiz s GLU 110 CO 0.63 -2.98 0.34 0.34 0.02 0.00 0.00 175.26 173.61 3iiz s ASP 111 N 5.65 5.99 0.57 -0.19 -1.08 -1.18 -1.37 116.67 125.07 3iiz s ASP 111 Ca 0.60 -1.33 0.28 0.00 -0.52 0.00 0.00 52.55 51.58 3iiz s ASP 111 Cb 0.00 -2.12 1.51 0.00 -1.46 0.00 0.00 42.92 40.85 3iiz s ASP 111 CO 0.05 -0.59 1.98 -0.65 0.52 0.00 0.00 175.17 176.48 3iiz h PRO 112 N 8.64 0.00 -0.36 4.34 0.11 -1.91 -3.38 132.00 139.44 3iiz h PRO 112 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3iiz h PRO 112 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3iiz h PRO 112 CO 0.83 0.00 0.00 0.98 -0.21 0.00 0.00 178.00 179.60 3iiz n TYR 113 N -3.92 0.00 -1.93 0.65 9.36 -1.26 -4.81 117.16 115.24 3iiz n TYR 113 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 3iiz n TYR 113 Cb 0.57 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 3iiz n TYR 113 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3iiz n MET 115 N 0.47 -5.23 0.02 2.98 2.81 -1.26 -4.85 117.12 112.06 3iiz n MET 115 Ca 0.00 3.77 0.11 0.00 -1.81 0.00 0.00 57.70 59.77 3iiz n MET 115 Cb 0.00 -4.18 -0.03 0.00 -0.71 0.00 0.00 33.22 28.30 3iiz n MET 115 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 3iiz n PRO 116 N 0.59 0.36 -0.04 0.03 -0.04 -1.26 -4.91 135.00 129.73 3iiz n PRO 116 Ca 0.00 -0.03 -0.13 0.00 -0.04 0.00 0.00 63.50 63.30 3iiz n PRO 116 Cb 0.00 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 31.86 3iiz n PRO 116 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3iiz h ASP 117 N 0.00 0.83 -0.45 3.54 3.32 -1.97 -1.96 116.42 119.73 3iiz h ASP 117 Ca 0.00 -0.46 -0.04 0.00 0.02 0.00 0.00 57.03 56.56 3iiz h ASP 117 Cb 0.79 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3iiz h ASP 117 CO 0.00 1.23 0.14 0.58 -1.72 0.00 0.00 179.24 179.47 3iiz h VAL 118 N 0.55 1.22 -0.34 -1.35 2.07 -1.91 -0.90 116.25 115.59 3iiz h VAL 118 Ca 0.00 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 66.84 3iiz h VAL 118 Cb 1.17 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3iiz h VAL 118 CO 0.12 0.26 0.10 0.40 0.02 0.00 0.00 177.57 178.47 3iiz h ILE 119 N 0.59 0.87 -0.63 4.57 1.08 -1.94 -1.00 117.51 121.05 3iiz h ILE 119 Ca 0.15 -0.08 0.08 0.00 -0.39 0.00 0.00 64.86 64.61 3iiz h ILE 119 Cb 0.26 0.62 -0.06 0.00 -3.07 0.00 0.00 36.82 34.57 3iiz h ILE 119 CO -0.01 0.04 0.29 0.28 -0.69 0.00 0.00 178.15 178.07 3iiz h SER 120 N 0.24 0.37 -0.29 1.72 0.02 -0.87 0.12 113.55 114.85 3iiz h SER 120 Ca 0.16 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3iiz h SER 120 Cb 0.15 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3iiz h SER 120 CO -0.18 0.23 0.15 0.44 -1.14 0.00 0.00 176.83 176.33 3iiz h ASP 121 N 0.52 0.36 -0.40 3.07 3.32 -0.72 -1.27 116.42 121.30 3iiz h ASP 121 Ca 0.30 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3iiz h ASP 121 Cb 0.30 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3iiz h ASP 121 CO -0.25 0.35 0.17 0.40 -1.72 0.00 0.00 179.24 178.20 3iiz h ILE 122 N 0.34 1.19 -0.63 0.35 2.04 -0.66 -2.36 117.51 117.79 3iiz h ILE 122 Ca 0.10 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.41 3iiz h ILE 122 Cb 0.08 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3iiz h ILE 122 CO -0.02 0.21 0.39 0.58 0.00 0.00 0.00 178.15 179.31 3iiz h VAL 123 N 0.51 1.08 -0.86 1.67 2.07 -0.50 -1.09 116.25 119.13 3iiz h VAL 123 Ca 0.14 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3iiz h VAL 123 Cb 0.17 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 3iiz h VAL 123 CO -0.01 0.14 0.56 0.11 0.02 0.00 0.00 177.57 178.38 3iiz h LYS 124 N 0.76 1.05 -0.33 1.57 1.57 -0.99 0.07 116.57 120.26 3iiz h LYS 124 Ca 0.25 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.81 3iiz h LYS 124 Cb 0.02 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 3iiz h LYS 124 CO -0.10 0.69 -0.41 0.93 -0.57 0.00 0.00 179.45 179.99 3iiz h GLU 125 N 1.08 0.86 -0.40 3.15 4.39 -0.87 -2.93 114.58 119.86 3iiz h GLU 125 Ca 0.35 -0.48 -0.12 0.00 0.34 0.00 0.00 59.36 59.44 3iiz h GLU 125 Cb 0.01 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3iiz h GLU 125 CO -0.12 1.12 -0.25 0.82 -1.16 0.00 0.00 179.01 179.42 3iiz h ILE 126 N 0.65 1.27 0.00 3.13 2.04 -0.83 -2.82 117.51 120.95 3iiz h ILE 126 Ca 0.04 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 3iiz h ILE 126 Cb 1.01 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 3iiz h ILE 126 CO 0.10 0.47 -0.05 0.11 0.00 0.00 0.00 178.15 178.78 3iiz h LYS 127 N 0.70 0.00 -0.01 2.37 1.79 -0.90 -0.79 116.57 119.73 3iiz h LYS 127 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3iiz h LYS 127 Cb 0.79 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.44 3iiz h LYS 127 CO 0.06 0.05 0.02 0.87 -1.08 0.00 0.00 179.45 179.37 3iiz h LYS 128 N 0.00 0.00 -0.13 3.15 1.57 -1.31 -2.23 116.57 117.62 3iiz h LYS 128 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iiz h LYS 128 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3iiz h LYS 128 CO 0.01 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.56 3iiz n MET 129 N -3.49 1.51 -2.65 3.15 2.81 -0.30 -4.92 117.12 113.23 3iiz n MET 129 Ca -0.03 -0.77 -0.07 0.00 -1.81 0.00 0.00 57.70 55.02 3iiz n MET 129 Cb 0.10 -1.34 0.02 0.00 -0.71 0.00 0.00 33.22 31.29 3iiz n MET 129 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iiz n GLY 130 N 1.01 0.39 3.33 3.03 0.00 -0.84 -5.05 105.19 107.06 3iiz n GLY 130 Ca 0.15 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 3iiz n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iiz s VAL 131 N -2.89 1.08 0.38 1.61 -7.23 -1.26 -5.07 120.40 107.02 3iiz s VAL 131 Ca 0.13 -2.04 -0.24 0.00 -1.81 0.00 0.00 61.98 58.02 3iiz s VAL 131 Cb -0.06 -2.30 -0.09 0.00 0.56 0.00 0.00 36.38 34.49 3iiz s VAL 131 CO 0.17 -0.37 1.02 0.00 -0.31 0.00 0.00 175.10 175.61 3iiz s ALA 132 N -3.39 3.12 -0.15 1.32 0.00 -0.46 -4.74 121.76 117.47 3iiz s ALA 132 Ca 0.27 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.90 3iiz s ALA 132 Cb 0.05 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.93 3iiz s ALA 132 CO 0.08 -0.11 -0.20 0.08 0.00 0.00 0.00 175.76 175.61 3iiz s VAL 133 N -1.66 2.25 -0.12 0.00 1.01 -1.26 -0.81 120.40 119.80 3iiz s VAL 133 Ca 0.56 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 3iiz s VAL 133 Cb -0.21 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3iiz s VAL 133 CO 0.26 0.54 -0.12 -0.89 0.00 0.00 0.00 175.10 174.89 3iiz s THR 134 N 0.83 3.15 -0.00 3.92 2.01 0.05 -0.42 115.64 125.18 3iiz s THR 134 Ca -0.06 -0.64 -0.00 0.00 0.31 0.00 0.00 61.69 61.30 3iiz s THR 134 Cb -0.15 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 3iiz s THR 134 CO -0.02 0.53 0.07 -0.76 -0.69 0.00 0.00 174.62 173.76 3iiz s LEU 135 N 0.21 3.86 -0.44 4.42 1.43 -0.32 -1.02 118.68 126.83 3iiz s LEU 135 Ca -0.07 0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 3iiz s LEU 135 Cb -0.15 -2.25 0.20 0.00 0.03 0.00 0.00 46.19 44.01 3iiz s LEU 135 CO 0.05 0.27 0.52 -0.24 0.23 0.00 0.00 176.35 177.18 3iiz n SER 136 N 1.19 -1.26 -0.18 2.29 2.88 -0.03 -0.92 113.62 117.57 3iiz n SER 136 Ca -0.13 -2.66 0.02 0.00 -1.33 0.00 0.00 58.87 54.77 3iiz n SER 136 Cb 0.53 0.19 0.03 0.00 -0.75 0.00 0.00 64.21 64.21 3iiz n SER 136 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3iiz n LEU 137 N 2.44 1.77 0.00 2.46 4.77 -1.26 -2.48 117.00 124.70 3iiz n LEU 137 Ca 0.23 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 3iiz n LEU 137 Cb 0.52 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3iiz n LEU 137 CO 0.07 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3iiz n GLY 138 N 0.05 -1.69 3.65 -0.72 0.00 -1.26 -4.38 105.19 100.85 3iiz n GLY 138 Ca 0.03 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 3iiz n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iiz s GLU 139 N 0.00 4.17 0.14 1.61 2.02 -1.26 -5.04 118.70 120.34 3iiz s GLU 139 Ca 0.00 0.46 -0.01 0.00 0.02 0.00 0.00 54.97 55.44 3iiz s GLU 139 Cb 0.00 -3.58 -0.04 0.00 0.10 0.00 0.00 34.13 30.60 3iiz s GLU 139 CO 0.00 -0.22 0.06 -1.58 0.02 0.00 0.00 175.26 173.54 3iiz s TRP 140 N 1.86 0.91 0.70 1.61 0.52 -1.26 -5.10 118.94 118.17 3iiz s TRP 140 Ca 0.25 -1.23 -0.17 0.00 0.02 0.00 0.00 56.10 54.98 3iiz s TRP 140 Cb -0.16 -0.50 0.01 0.00 -1.15 0.00 0.00 33.47 31.67 3iiz s TRP 140 CO 0.10 -0.50 1.21 -2.30 0.02 0.00 0.00 176.95 175.47 3iiz n PRO 141 N -0.12 0.79 -0.30 4.98 -0.02 -1.26 -4.83 135.00 134.24 3iiz n PRO 141 Ca -0.05 0.33 0.11 0.00 -2.02 0.00 0.00 63.50 61.87 3iiz n PRO 141 Cb 0.64 -2.45 0.35 0.00 -0.02 0.00 0.00 33.50 32.02 3iiz n PRO 141 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3iiz h ARG 142 N 0.06 0.74 -0.18 -0.52 2.43 -2.01 0.83 114.38 115.73 3iiz h ARG 142 Ca -0.49 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.61 3iiz h ARG 142 Cb 1.33 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3iiz h ARG 142 CO 0.50 0.49 0.01 1.49 -1.51 0.00 0.00 179.97 180.95 3iiz h GLU 143 N 0.76 0.26 -0.13 0.20 4.57 -1.99 0.11 114.58 118.36 3iiz h GLU 143 Ca 0.47 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.55 3iiz h GLU 143 Cb 0.70 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.24 3iiz h GLU 143 CO -0.24 0.27 -0.18 1.88 -1.18 0.00 0.00 179.01 179.57 3iiz h TYR 144 N 0.26 0.43 -0.89 0.92 -1.99 -1.18 -1.65 116.97 112.87 3iiz h TYR 144 Ca 0.06 -0.14 0.06 0.00 2.00 0.00 0.00 58.73 60.71 3iiz h TYR 144 Cb 0.16 -0.08 -0.06 0.00 2.00 0.00 0.00 36.73 38.75 3iiz h TYR 144 CO 0.00 0.79 0.58 1.88 -0.00 0.00 0.00 178.16 181.41 3iiz h TYR 145 N -0.06 1.02 -0.24 4.88 0.05 -1.16 -0.01 116.97 121.45 3iiz h TYR 145 Ca 0.01 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 3iiz h TYR 145 Cb 0.74 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 3iiz h TYR 145 CO 0.10 0.54 0.07 0.93 -1.05 0.00 0.00 178.16 178.74 3iiz h GLU 146 N 1.01 0.38 -0.87 4.88 5.08 -0.91 -1.64 114.58 122.52 3iiz h GLU 146 Ca 0.38 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3iiz h GLU 146 Cb 0.19 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3iiz h GLU 146 CO -0.14 0.48 0.56 0.87 -1.00 0.00 0.00 179.01 179.77 3iiz h LYS 147 N 0.22 1.16 -0.10 2.33 1.57 -0.77 -0.63 116.57 120.37 3iiz h LYS 147 Ca 0.08 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 3iiz h LYS 147 Cb 0.26 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3iiz h LYS 147 CO -0.00 0.79 -0.49 -1.49 -0.57 0.00 0.00 179.45 177.69 3iiz h TRP 148 N 1.19 0.30 -0.19 -1.35 6.55 -0.85 -0.16 115.95 121.44 3iiz h TRP 148 Ca 0.32 -0.10 -0.08 0.00 0.95 0.00 0.00 58.89 59.98 3iiz h TRP 148 Cb -0.10 -0.06 -0.00 0.00 -0.86 0.00 0.00 29.16 28.13 3iiz h TRP 148 CO 0.00 0.69 -0.21 -0.22 -1.05 0.00 0.00 178.44 177.66 3iiz h LYS 149 N 0.20 0.48 -0.39 0.49 1.63 -0.96 -1.03 116.57 116.99 3iiz h LYS 149 Ca 0.01 -0.26 0.01 0.00 -0.85 0.00 0.00 60.65 59.56 3iiz h LYS 149 Cb 0.94 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.56 3iiz h LYS 149 CO 0.08 0.84 0.26 0.93 -3.45 0.00 0.00 179.45 178.10 3iiz h GLU 150 N 0.14 0.48 0.00 1.90 5.08 -0.89 -1.30 114.58 119.99 3iiz h GLU 150 Ca 0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iiz h GLU 150 Cb 0.76 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3iiz h GLU 150 CO 0.05 0.32 0.00 0.00 -1.00 0.00 0.00 179.01 178.38 3iiz n ALA 151 N -2.48 1.89 0.00 3.43 0.00 -0.09 -4.88 120.51 118.37 3iiz n ALA 151 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3iiz n ALA 151 Cb 0.09 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3iiz n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iiz n GLY 152 N 0.49 1.05 3.76 0.00 0.00 -0.49 -3.86 105.19 106.15 3iiz n GLY 152 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3iiz n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iiz n ALA 153 N -0.47 2.12 -0.12 4.61 0.00 -0.41 -4.76 120.51 121.47 3iiz n ALA 153 Ca 0.00 0.30 -0.15 0.00 0.00 0.00 0.00 53.44 53.59 3iiz n ALA 153 Cb 0.00 -2.39 -0.13 0.00 0.00 0.00 0.00 19.45 16.93 3iiz n ALA 153 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iiz n ASP 154 N 0.22 1.49 -4.10 0.00 8.00 0.45 -4.68 116.55 117.93 3iiz n ASP 154 Ca 0.03 -0.10 -0.08 0.00 0.71 0.00 0.00 54.79 55.36 3iiz n ASP 154 Cb 0.40 0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.40 3iiz n ASP 154 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3iiz s ARG 155 N -2.50 0.64 -0.07 -1.24 0.52 -0.86 -2.01 118.95 113.43 3iiz s ARG 155 Ca -0.27 -1.21 -0.03 0.00 -0.52 0.00 0.00 55.73 53.70 3iiz s ARG 155 Cb 0.08 0.11 0.04 0.00 0.52 0.00 0.00 34.95 35.70 3iiz s ARG 155 CO 0.65 -0.08 0.16 -0.47 0.02 0.00 0.00 175.30 175.57 3iiz s TYR 156 N -3.69 -0.19 -0.26 -0.53 5.04 -0.34 -1.17 117.35 116.22 3iiz s TYR 156 Ca 0.07 0.55 -0.10 0.00 -2.44 0.00 0.00 57.07 55.15 3iiz s TYR 156 Cb 0.06 -0.12 -0.04 0.00 0.35 0.00 0.00 41.96 42.21 3iiz s TYR 156 CO -0.08 -0.20 0.15 -0.51 -1.34 0.00 0.00 175.55 173.57 3iiz s LEU 157 N 1.51 3.89 -0.41 6.97 1.43 -0.10 -0.78 118.68 131.20 3iiz s LEU 157 Ca -0.06 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 3iiz s LEU 157 Cb -0.12 -2.07 0.17 0.00 0.03 0.00 0.00 46.19 44.20 3iiz s LEU 157 CO -0.06 -0.02 0.35 -0.22 0.23 0.00 0.00 176.35 176.63 3iiz s LEU 158 N 1.58 1.01 0.33 1.79 2.96 0.48 -4.45 118.68 122.38 3iiz s LEU 158 Ca 0.07 -2.73 -0.28 0.00 -0.22 0.00 0.00 54.13 50.97 3iiz s LEU 158 Cb -0.15 -0.19 -0.13 0.00 0.50 0.00 0.00 46.19 46.23 3iiz s LEU 158 CO 0.08 -0.19 1.26 0.54 -1.32 0.00 0.00 176.35 176.72 3iiz n ARG 159 N 3.14 2.03 0.08 1.98 1.74 -1.26 -4.31 116.66 120.06 3iiz n ARG 159 Ca 0.25 0.71 0.13 0.00 -0.77 0.00 0.00 57.85 58.17 3iiz n ARG 159 Cb 0.47 -2.27 0.45 0.00 -1.02 0.00 0.00 32.46 30.08 3iiz n ARG 159 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 3iiz n HIS 160 N 0.40 0.73 0.00 -1.55 1.44 0.15 -4.82 115.22 111.57 3iiz n HIS 160 Ca 0.06 0.22 0.00 0.00 -2.01 0.00 0.00 57.72 55.98 3iiz n HIS 160 Cb 0.35 -0.85 0.00 0.00 0.12 0.00 0.00 29.99 29.61 3iiz n HIS 160 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3iiz n GLU 161 N -2.10 0.00 -3.65 -1.40 -0.58 -0.34 -4.54 120.64 108.04 3iiz n GLU 161 Ca 0.06 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.69 3iiz n GLU 161 Cb 0.39 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.19 3iiz n GLU 161 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3iiz s THR 162 N 0.00 -0.00 -2.33 2.62 -1.32 -1.26 -1.85 115.64 111.50 3iiz s THR 162 Ca 0.00 0.01 0.27 0.00 -1.21 0.00 0.00 61.69 60.76 3iiz s THR 162 Cb 0.00 -0.90 0.61 0.00 -1.51 0.00 0.00 72.50 70.70 3iiz s THR 162 CO 0.00 0.00 1.81 0.00 -2.21 0.00 0.00 174.62 174.22 3iiz n ALA 163 N 3.58 2.59 -2.57 11.08 0.00 -1.26 -4.72 120.51 129.20 3iiz n ALA 163 Ca -0.18 -0.39 -0.43 0.00 0.00 0.00 0.00 53.44 52.45 3iiz n ALA 163 Cb 0.57 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 3iiz n ALA 163 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3iiz s ASN 164 N -1.90 6.47 0.48 0.00 3.84 -1.26 -4.93 114.94 117.63 3iiz s ASN 164 Ca 0.38 0.03 0.22 0.00 0.21 0.00 0.00 52.86 53.70 3iiz s ASN 164 Cb 0.20 -2.44 1.21 0.00 -0.55 0.00 0.00 41.25 39.67 3iiz s ASN 164 CO 0.32 -1.07 2.01 -0.65 -2.79 0.00 0.00 177.10 174.92 3iiz h PRO 165 N 9.11 0.00 -0.03 0.43 0.11 -1.99 0.48 132.00 140.11 3iiz h PRO 165 Ca -0.24 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.84 3iiz h PRO 165 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3iiz h PRO 165 CO 1.03 0.17 -0.10 0.28 -0.21 0.00 0.00 178.00 179.18 3iiz h VAL 166 N 0.00 1.46 -0.75 3.15 2.07 -1.97 -1.87 116.25 118.34 3iiz h VAL 166 Ca -0.00 -1.50 0.01 0.00 0.82 0.00 0.00 66.70 66.03 3iiz h VAL 166 Cb 0.38 2.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 3iiz h VAL 166 CO 0.02 0.41 0.49 0.25 0.02 0.00 0.00 177.57 178.76 3iiz h LEU 167 N -0.44 0.84 0.06 2.57 5.85 -1.92 -2.15 115.31 120.11 3iiz h LEU 167 Ca -0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3iiz h LEU 167 Cb 0.71 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3iiz h LEU 167 CO 0.02 0.60 -0.11 -0.74 -0.34 0.00 0.00 178.44 177.87 3iiz h HIS 168 N 0.99 -0.27 -0.49 1.25 2.76 -0.90 -0.09 115.15 118.40 3iiz h HIS 168 Ca 0.28 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.40 3iiz h HIS 168 Cb -0.08 0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 3iiz h HIS 168 CO -0.02 -0.16 0.07 -0.09 -1.30 0.00 0.00 177.93 176.42 3iiz h ARG 169 N -0.21 0.77 -0.51 5.26 9.65 -1.20 0.10 114.38 128.25 3iiz h ARG 169 Ca 0.02 -0.17 -0.09 0.00 -1.10 0.00 0.00 59.98 58.64 3iiz h ARG 169 Cb 0.23 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 3iiz h ARG 169 CO -0.07 0.73 -0.02 0.87 2.80 0.00 0.00 179.97 184.28 3iiz h LYS 170 N 0.73 0.91 0.00 0.20 1.57 -1.07 -3.13 116.57 115.78 3iiz h LYS 170 Ca 0.16 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 3iiz h LYS 170 Cb 0.35 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3iiz h LYS 170 CO 0.01 0.95 -0.28 -0.07 -0.57 0.00 0.00 179.45 179.49 3iiz h LEU 171 N 0.77 0.00 -6.31 2.94 3.38 -0.71 -3.38 115.31 112.00 3iiz h LEU 171 Ca 0.14 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.52 3iiz h LEU 171 Cb 0.55 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.90 3iiz h LEU 171 CO 0.03 0.28 -0.81 0.54 0.09 0.00 0.00 178.44 178.56 3iiz n ARG 172 N -3.19 1.45 0.09 1.13 1.74 0.32 -0.47 116.66 117.74 3iiz n ARG 172 Ca 0.03 -3.94 0.08 0.00 -0.77 0.00 0.00 57.85 53.25 3iiz n ARG 172 Cb 0.62 -1.84 0.39 0.00 -1.02 0.00 0.00 32.46 30.61 3iiz n ARG 172 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3iiz n PRO 173 N 1.54 0.10 0.00 5.56 -0.04 -1.19 -1.82 135.00 139.15 3iiz n PRO 173 Ca 0.25 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.32 3iiz n PRO 173 Cb 0.45 -1.76 0.46 0.00 -0.04 0.00 0.00 33.50 32.62 3iiz n PRO 173 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3iiz n ASP 174 N -1.96 0.22 0.00 3.54 8.00 -1.26 -4.99 116.55 120.11 3iiz n ASP 174 Ca 0.01 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.66 3iiz n ASP 174 Cb 0.11 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 3iiz n ASP 174 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3iiz n THR 175 N -1.49 0.00 -3.66 -3.53 5.66 -0.76 -5.13 114.28 105.37 3iiz n THR 175 Ca 0.07 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.96 3iiz n THR 175 Cb 0.34 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.08 3iiz n THR 175 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3iiz s SER 176 N 1.76 -0.32 0.24 1.09 1.04 -1.26 -4.69 113.70 111.56 3iiz s SER 176 Ca 0.00 -0.37 -0.05 0.00 0.48 0.00 0.00 55.95 56.02 3iiz s SER 176 Cb 0.00 0.57 0.27 0.00 0.10 0.00 0.00 66.02 66.96 3iiz s SER 176 CO 0.00 -1.02 1.81 0.15 0.98 0.00 0.00 173.24 175.16 3iiz h PHE 177 N 2.18 1.08 -0.37 5.02 3.57 -1.89 -1.29 116.94 125.23 3iiz h PHE 177 Ca -0.30 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.17 3iiz h PHE 177 Cb 1.27 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.64 3iiz h PHE 177 CO 0.33 0.83 0.08 1.49 -2.23 0.00 0.00 178.31 178.81 3iiz h GLU 178 N 1.03 0.20 -0.56 1.11 4.81 -1.95 0.18 114.58 119.41 3iiz h GLU 178 Ca 0.24 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3iiz h GLU 178 Cb 0.23 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3iiz h GLU 178 CO -0.02 0.13 0.14 -0.97 -0.73 0.00 0.00 179.01 177.56 3iiz h ASN 179 N 0.21 0.85 -0.58 1.04 -1.24 -1.88 -1.16 115.58 112.82 3iiz h ASN 179 Ca 0.18 -0.23 0.02 0.00 0.71 0.00 0.00 56.30 56.98 3iiz h ASN 179 Cb 0.20 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.00 3iiz h ASN 179 CO -0.23 0.86 0.36 -0.09 -1.29 0.00 0.00 177.43 177.04 3iiz h ARG 180 N 0.79 0.69 -0.27 6.67 9.65 -0.22 -2.57 114.38 129.13 3iiz h ARG 180 Ca 0.17 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.99 3iiz h ARG 180 Cb 0.34 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 3iiz h ARG 180 CO 0.00 0.46 0.06 1.25 2.80 0.00 0.00 179.97 184.54 3iiz h LEU 181 N 0.72 0.41 -1.92 3.80 5.85 -0.59 -1.45 115.31 122.13 3iiz h LEU 181 Ca 0.23 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3iiz h LEU 181 Cb -0.01 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3iiz h LEU 181 CO -0.09 0.55 0.00 0.59 -0.34 0.00 0.00 178.44 179.15 3iiz n ASN 182 N -4.69 0.00 0.00 1.25 3.02 -0.45 -0.58 115.26 113.81 3iiz n ASN 182 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 3iiz n ASN 182 Cb 0.19 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 3iiz n ASN 182 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3iiz n LEU 184 N 0.78 0.00 -0.03 3.41 4.77 -0.55 -1.05 117.00 124.34 3iiz n LEU 184 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3iiz n LEU 184 Cb 0.00 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.32 3iiz n LEU 184 CO 0.00 0.00 0.88 -0.07 -1.33 0.00 0.00 177.39 176.87 3iiz h LEU 185 N 0.00 0.57 -0.32 2.23 3.38 -1.12 -1.06 115.31 118.99 3iiz h LEU 185 Ca 0.00 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 3iiz h LEU 185 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3iiz h LEU 185 CO 0.00 0.68 -0.06 0.74 0.09 0.00 0.00 178.44 179.89 3iiz h THR 186 N 0.56 1.28 -0.67 0.22 2.02 -1.33 0.41 112.91 115.40 3iiz h THR 186 Ca 0.11 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.21 3iiz h THR 186 Cb 0.43 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 3iiz h THR 186 CO 0.02 0.35 0.43 -0.07 0.37 0.00 0.00 175.52 176.63 3iiz h LEU 187 N 0.38 0.74 -0.40 2.58 3.38 -1.75 -1.02 115.31 119.22 3iiz h LEU 187 Ca 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3iiz h LEU 187 Cb 0.54 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3iiz h LEU 187 CO 0.03 0.53 0.24 0.11 0.09 0.00 0.00 178.44 179.44 3iiz h LYS 188 N 0.88 0.55 -0.75 1.13 1.57 -0.95 -2.49 116.57 116.51 3iiz h LYS 188 Ca 0.25 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.99 3iiz h LYS 188 Cb -0.07 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.09 3iiz h LYS 188 CO -0.07 0.43 0.50 1.49 -0.57 0.00 0.00 179.45 181.23 3iiz h GLU 189 N 0.53 0.95 0.00 3.15 4.81 -0.21 -1.36 114.58 122.45 3iiz h GLU 189 Ca 0.14 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3iiz h GLU 189 Cb 0.02 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.19 3iiz h GLU 189 CO -0.03 0.63 0.00 1.28 -0.73 0.00 0.00 179.01 180.17 3iiz n LEU 190 N -4.43 0.00 0.00 1.64 4.77 -0.45 -4.89 117.00 113.64 3iiz n LEU 190 Ca 0.09 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3iiz n LEU 190 Cb 0.06 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3iiz n LEU 190 CO 0.36 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3iiz n GLY 191 N 0.85 0.83 3.77 -0.72 0.00 -0.51 -5.04 105.19 104.36 3iiz n GLY 191 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3iiz n GLY 191 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iiz s TYR 192 N -2.07 3.12 -0.02 1.61 1.51 -0.96 -4.98 117.35 115.56 3iiz s TYR 192 Ca 0.00 1.53 -0.30 0.00 -1.01 0.00 0.00 57.07 57.29 3iiz s TYR 192 Cb 0.00 -3.47 -0.06 0.00 -0.11 0.00 0.00 41.96 38.32 3iiz s TYR 192 CO 0.00 -1.39 1.64 -1.21 -1.11 0.00 0.00 175.55 173.48 3iiz s GLU 193 N -2.05 4.19 -0.12 -0.62 2.02 -0.85 -4.58 118.70 116.70 3iiz s GLU 193 Ca 0.53 2.21 0.01 0.00 0.02 0.00 0.00 54.97 57.74 3iiz s GLU 193 Cb -0.34 -3.88 -0.01 0.00 0.10 0.00 0.00 34.13 30.00 3iiz s GLU 193 CO 0.43 -0.80 -0.16 0.99 0.02 0.00 0.00 175.26 175.74 3iiz s THR 194 N 3.64 2.81 -0.11 3.63 2.01 -1.26 -1.19 115.64 125.17 3iiz s THR 194 Ca 0.73 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.98 3iiz s THR 194 Cb -0.35 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 3iiz s THR 194 CO 0.30 0.54 -0.10 -0.83 -0.69 0.00 0.00 174.62 173.84 3iiz s GLY 195 N 0.27 1.61 0.00 4.40 0.00 0.04 -1.17 107.32 112.47 3iiz s GLY 195 Ca -0.11 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.72 3iiz s GLY 195 CO 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 173.10 172.78 3iiz n ALA 196 N 3.00 0.00 0.00 3.20 0.00 -0.70 -0.39 120.51 125.62 3iiz n ALA 196 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3iiz n ALA 196 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3iiz n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iiz n GLY 197 N 4.47 2.80 3.15 0.00 0.00 -1.26 -1.01 105.19 113.34 3iiz n GLY 197 Ca 0.00 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 43.87 3iiz n GLY 197 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iiz s SER 198 N 0.00 0.31 0.23 1.61 1.04 -1.07 0.31 113.70 116.14 3iiz s SER 198 Ca 0.00 -1.18 -0.06 0.00 0.48 0.00 0.00 55.95 55.19 3iiz s SER 198 Cb 0.00 0.29 -0.06 0.00 0.10 0.00 0.00 66.02 66.35 3iiz s SER 198 CO 0.00 -0.72 0.50 -0.04 0.98 0.00 0.00 173.24 173.96 3iiz s MET 199 N -4.03 3.68 -0.11 4.02 -1.94 -0.77 -2.88 119.30 117.26 3iiz s MET 199 Ca 0.22 0.05 0.01 0.00 -1.71 0.00 0.00 55.69 54.26 3iiz s MET 199 Cb 0.07 -2.71 -0.01 0.00 2.01 0.00 0.00 34.83 34.20 3iiz s MET 199 CO 0.01 0.32 -0.16 0.08 -0.01 0.00 0.00 175.02 175.26 3iiz s VAL 200 N -1.88 2.82 0.00 -6.03 1.01 -0.30 -4.64 120.40 111.38 3iiz s VAL 200 Ca 0.44 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3iiz s VAL 200 Cb -0.11 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.11 3iiz s VAL 200 CO 0.26 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.51 3iiz n GLY 201 N 3.40 0.81 3.74 4.51 0.00 -1.26 -0.75 105.19 115.64 3iiz n GLY 201 Ca -0.18 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 3iiz n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iiz s LEU 202 N 0.00 3.72 0.13 0.99 1.43 -1.26 -4.26 118.68 119.43 3iiz s LEU 202 Ca 0.00 2.71 -0.31 0.00 -1.03 0.00 0.00 54.13 55.50 3iiz s LEU 202 Cb 0.00 -4.44 -0.10 0.00 0.03 0.00 0.00 46.19 41.68 3iiz s LEU 202 CO 0.00 -1.79 1.77 -2.16 0.23 0.00 0.00 176.35 174.39 3iiz s PRO 203 N -3.14 4.15 0.00 1.29 0.04 -1.26 -1.45 135.00 134.63 3iiz s PRO 203 Ca 0.77 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.35 3iiz s PRO 203 Cb -0.39 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.68 3iiz s PRO 203 CO 0.44 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 177.10 3iiz n GLY 204 N 4.12 1.21 3.74 0.56 0.00 -1.26 -5.04 105.19 108.52 3iiz n GLY 204 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3iiz n GLY 204 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iiz s GLN 205 N -0.54 4.59 0.39 1.61 0.74 -0.53 -5.05 119.66 120.87 3iiz s GLN 205 Ca 0.00 1.25 0.08 0.00 0.05 0.00 0.00 55.36 56.74 3iiz s GLN 205 Cb 0.00 -3.37 -0.02 0.00 1.10 0.00 0.00 33.01 30.72 3iiz s GLN 205 CO 0.00 0.24 0.40 0.95 -0.55 0.00 0.00 175.29 176.33 3iiz s THR 206 N 0.00 3.01 0.21 -0.34 -4.23 -1.26 -4.84 115.64 108.20 3iiz s THR 206 Ca 0.43 -1.26 -0.10 0.00 -1.18 0.00 0.00 61.69 59.58 3iiz s THR 206 Cb -0.22 -3.07 0.16 0.00 1.34 0.00 0.00 72.50 70.71 3iiz s THR 206 CO 0.26 -0.05 1.87 0.40 -0.54 0.00 0.00 174.62 176.56 3iiz h ILE 207 N 0.99 1.16 -0.90 2.99 1.08 -1.99 -1.75 117.51 119.09 3iiz h ILE 207 Ca -0.42 -0.34 0.10 0.00 -0.39 0.00 0.00 64.86 63.82 3iiz h ILE 207 Cb 1.27 0.09 -0.07 0.00 -3.07 0.00 0.00 36.82 35.04 3iiz h ILE 207 CO 0.55 0.18 0.58 0.44 -0.69 0.00 0.00 178.15 179.21 3iiz h ASP 208 N 0.98 0.79 -0.62 1.72 3.32 -1.98 -0.17 116.42 120.45 3iiz h ASP 208 Ca 0.29 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 3iiz h ASP 208 Cb -0.06 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3iiz h ASP 208 CO -0.08 0.46 0.35 0.44 -1.72 0.00 0.00 179.24 178.69 3iiz h ASP 209 N 0.87 0.77 -0.72 6.45 3.32 -1.76 -0.64 116.42 124.71 3iiz h ASP 209 Ca 0.42 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.35 3iiz h ASP 209 Cb 0.45 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3iiz h ASP 209 CO -0.19 0.63 0.28 -0.07 -1.72 0.00 0.00 179.24 178.17 3iiz h LEU 210 N 0.85 1.00 -0.72 1.55 3.38 -0.36 0.60 115.31 121.60 3iiz h LEU 210 Ca 0.22 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3iiz h LEU 210 Cb 0.02 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 3iiz h LEU 210 CO -0.04 0.90 0.42 0.58 0.09 0.00 0.00 178.44 180.39 3iiz h VAL 211 N 1.04 0.99 -0.60 1.22 2.07 -0.81 -1.37 116.25 118.79 3iiz h VAL 211 Ca 0.24 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 3iiz h VAL 211 Cb 0.22 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3iiz h VAL 211 CO -0.02 0.14 0.22 0.44 0.02 0.00 0.00 177.57 178.37 3iiz h ASP 212 N 0.77 0.81 -0.25 0.57 3.32 -0.36 -0.53 116.42 120.75 3iiz h ASP 212 Ca 0.32 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3iiz h ASP 212 Cb 0.18 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3iiz h ASP 212 CO -0.18 0.74 0.11 0.44 -1.72 0.00 0.00 179.24 178.63 3iiz h ASP 213 N 0.86 0.34 -0.50 6.45 3.32 -0.27 -0.00 116.42 126.61 3iiz h ASP 213 Ca 0.20 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.14 3iiz h ASP 213 Cb 0.20 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 3iiz h ASP 213 CO -0.02 0.39 0.28 -0.07 -1.72 0.00 0.00 179.24 178.11 3iiz h LEU 214 N 0.26 0.44 -0.89 1.55 3.38 -0.74 -1.36 115.31 117.96 3iiz h LEU 214 Ca 0.08 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3iiz h LEU 214 Cb 0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3iiz h LEU 214 CO -0.01 0.30 -0.35 -0.07 0.09 0.00 0.00 178.44 178.41 3iiz h LEU 215 N 0.56 0.41 -0.28 1.67 3.38 -0.94 -1.68 115.31 118.42 3iiz h LEU 215 Ca 0.21 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3iiz h LEU 215 Cb 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3iiz h LEU 215 CO -0.12 0.74 0.18 0.15 0.09 0.00 0.00 178.44 179.47 3iiz h PHE 216 N 0.34 0.37 -0.61 1.13 3.57 -0.70 -0.82 116.94 120.22 3iiz h PHE 216 Ca 0.04 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3iiz h PHE 216 Cb 0.78 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 3iiz h PHE 216 CO 0.02 0.26 0.32 -0.07 -2.23 0.00 0.00 178.31 176.61 3iiz h LEU 217 N 0.37 0.77 -0.50 0.59 3.38 -0.94 -2.34 115.31 116.65 3iiz h LEU 217 Ca 0.10 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3iiz h LEU 217 Cb -0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3iiz h LEU 217 CO -0.02 0.66 0.18 0.50 0.09 0.00 0.00 178.44 179.85 3iiz h LYS 218 N 0.83 0.75 -0.75 1.13 1.63 -1.21 -1.21 116.57 117.74 3iiz h LYS 218 Ca 0.21 -0.15 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 3iiz h LYS 218 Cb 0.07 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.54 3iiz h LYS 218 CO -0.03 0.69 0.49 1.49 -3.45 0.00 0.00 179.45 178.63 3iiz h GLU 219 N 0.66 0.95 -0.01 1.90 4.81 -0.92 -3.02 114.58 118.94 3iiz h GLU 219 Ca 0.16 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3iiz h GLU 219 Cb 0.23 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3iiz h GLU 219 CO -0.01 0.63 -0.56 0.72 -0.73 0.00 0.00 179.01 179.06 3iiz n HIS 220 N -4.59 0.00 -3.70 0.92 8.25 -0.90 -4.99 115.22 110.21 3iiz n HIS 220 Ca 0.08 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.32 3iiz n HIS 220 Cb 0.05 -0.03 0.04 0.00 1.12 0.00 0.00 29.99 31.16 3iiz n HIS 220 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3iiz n ASP 221 N -0.54 -1.73 -4.75 0.41 2.03 -0.46 -4.88 116.55 106.62 3iiz n ASP 221 Ca 0.08 -0.79 -0.36 0.00 0.52 0.00 0.00 54.79 54.24 3iiz n ASP 221 Cb 0.41 -4.14 0.03 0.00 -0.72 0.00 0.00 41.12 36.71 3iiz n ASP 221 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3iiz s PHE 222 N -3.60 2.41 0.16 -0.67 0.40 -1.25 -4.94 117.98 110.49 3iiz s PHE 222 Ca 0.09 1.52 -0.04 0.00 -0.60 0.00 0.00 56.93 57.90 3iiz s PHE 222 Cb -0.04 -3.45 0.01 0.00 0.51 0.00 0.00 43.02 40.04 3iiz s PHE 222 CO 0.81 -2.15 1.40 -0.44 0.70 0.00 0.00 175.22 175.53 3iiz h ASP 223 N 0.84 0.57 -4.34 1.36 3.32 -1.49 -3.45 116.42 113.23 3iiz h ASP 223 Ca -0.50 -0.38 -0.48 0.00 0.02 0.00 0.00 57.03 55.69 3iiz h ASP 223 Cb 1.29 -0.17 -0.23 0.00 0.22 0.00 0.00 39.33 40.45 3iiz h ASP 223 CO 0.55 1.13 -0.80 -0.04 -1.72 0.00 0.00 179.24 178.36 3iiz s MET 224 N -3.61 0.99 -0.11 3.56 -1.94 -1.01 -0.71 119.30 116.46 3iiz s MET 224 Ca -0.06 -0.97 -0.02 0.00 -1.71 0.00 0.00 55.69 52.92 3iiz s MET 224 Cb 0.10 -1.08 0.04 0.00 2.01 0.00 0.00 34.83 35.90 3iiz s MET 224 CO 0.85 0.25 0.03 0.08 -0.01 0.00 0.00 175.02 176.23 3iiz s VAL 225 N -1.10 0.29 -0.30 -6.03 1.01 -0.61 -1.72 120.40 111.95 3iiz s VAL 225 Ca 0.02 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 3iiz s VAL 225 Cb -0.09 -0.62 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 3iiz s VAL 225 CO 0.03 0.06 0.12 -0.83 0.00 0.00 0.00 175.10 174.48 3iiz s GLY 226 N 1.99 1.84 -0.05 4.51 0.00 -0.18 -3.93 107.32 111.50 3iiz s GLY 226 Ca 0.03 -1.38 0.03 0.00 0.00 0.00 0.00 44.72 43.40 3iiz s GLY 226 CO -0.06 0.67 -0.15 -0.42 0.00 0.00 0.00 173.10 173.14 3iiz s ILE 227 N 1.58 1.28 0.13 0.90 1.01 -1.26 -2.60 121.20 122.24 3iiz s ILE 227 Ca 0.04 -0.60 -0.13 0.00 0.00 0.00 0.00 60.65 59.96 3iiz s ILE 227 Cb -0.17 -1.12 0.02 0.00 0.01 0.00 0.00 42.46 41.19 3iiz s ILE 227 CO 0.05 0.38 0.33 -0.83 0.00 0.00 0.00 174.94 174.87 3iiz s GLY 228 N 0.29 -0.01 0.43 6.18 0.00 -1.14 -4.51 107.32 108.56 3iiz s GLY 228 Ca -0.08 -0.39 -0.22 0.00 0.00 0.00 0.00 44.72 44.03 3iiz s GLY 228 CO 0.03 -0.54 1.01 2.56 0.00 0.00 0.00 173.10 176.16 3iiz s PRO 229 N -3.86 4.08 0.15 2.90 0.04 -1.26 -1.15 135.00 135.90 3iiz s PRO 229 Ca 0.07 1.35 -0.31 0.00 0.04 0.00 0.00 61.00 62.14 3iiz s PRO 229 Cb 0.03 -2.31 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 3iiz s PRO 229 CO -0.08 -0.19 1.60 0.12 0.04 0.00 0.00 177.00 178.49 3iiz s PHE 230 N -1.90 2.90 -0.24 0.56 5.36 0.07 -4.74 117.98 120.00 3iiz s PHE 230 Ca 0.62 0.53 0.02 0.00 -0.96 0.00 0.00 56.93 57.14 3iiz s PHE 230 Cb -0.16 -3.95 0.05 0.00 -0.34 0.00 0.00 43.02 38.62 3iiz s PHE 230 CO 0.21 -3.59 -0.11 0.42 -1.46 0.00 0.00 175.22 170.69 3iiz s ILE 231 N 1.48 1.95 0.42 3.12 1.01 -1.26 -0.56 121.20 127.36 3iiz s ILE 231 Ca 0.71 -1.40 -0.26 0.00 0.00 0.00 0.00 60.65 59.71 3iiz s ILE 231 Cb -0.43 -2.06 -0.08 0.00 0.01 0.00 0.00 42.46 39.89 3iiz s ILE 231 CO 0.32 0.04 1.31 -2.16 0.00 0.00 0.00 174.94 174.44 3iiz s PRO 232 N 1.22 3.91 -0.11 2.79 0.04 -1.26 -4.74 135.00 136.85 3iiz s PRO 232 Ca -0.06 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.15 3iiz s PRO 232 Cb -0.19 -2.72 -0.02 0.00 0.04 0.00 0.00 34.50 31.62 3iiz s PRO 232 CO -0.06 -0.54 -0.14 -1.58 0.04 0.00 0.00 177.00 174.71 3iiz s HIS 233 N -1.27 2.77 0.15 0.56 2.46 -1.26 -4.46 115.29 114.23 3iiz s HIS 233 Ca 0.58 -0.59 0.34 0.00 0.47 0.00 0.00 55.06 55.86 3iiz s HIS 233 Cb -0.38 -1.79 1.59 0.00 -0.13 0.00 0.00 32.58 31.86 3iiz s HIS 233 CO 0.49 -0.16 2.03 -1.00 -2.47 0.00 0.00 174.74 173.63 3iiz h PRO 234 N 6.46 0.00 -0.89 2.88 0.13 -1.95 -2.71 132.00 135.93 3iiz h PRO 234 Ca -0.29 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.29 3iiz h PRO 234 Cb 1.20 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.05 3iiz h PRO 234 CO 0.54 0.00 0.51 -0.25 -0.23 0.00 0.00 178.00 178.57 3iiz n ASP 235 N -2.92 5.43 -4.18 1.44 8.00 -1.26 -4.78 116.55 118.28 3iiz n ASP 235 Ca -0.00 -3.73 -0.11 0.00 0.71 0.00 0.00 54.79 51.65 3iiz n ASP 235 Cb 0.22 -0.82 -0.10 0.00 -0.02 0.00 0.00 41.12 40.39 3iiz n ASP 235 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3iiz s THR 236 N -4.09 0.77 0.40 -3.53 -4.23 -1.02 -4.70 115.64 99.23 3iiz s THR 236 Ca 0.58 -1.89 0.28 0.00 -1.18 0.00 0.00 61.69 59.49 3iiz s THR 236 Cb 0.48 -1.62 0.28 0.00 1.34 0.00 0.00 72.50 72.97 3iiz s THR 236 CO 0.04 -0.81 1.84 -0.65 -0.54 0.00 0.00 174.62 174.50 3iiz h PRO 237 N 3.07 0.00 -0.57 3.99 0.11 -1.87 -2.26 132.00 134.46 3iiz h PRO 237 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3iiz h PRO 237 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3iiz h PRO 237 CO 0.62 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.69 3iiz n LEU 238 N -2.66 4.84 -0.32 2.35 4.77 -1.25 -4.66 117.00 120.06 3iiz n LEU 238 Ca -0.02 -2.61 0.19 0.00 -0.03 0.00 0.00 56.01 53.54 3iiz n LEU 238 Cb 0.25 -0.59 0.45 0.00 -2.33 0.00 0.00 43.42 41.21 3iiz n LEU 238 CO 0.13 0.75 1.20 0.00 -1.33 0.00 0.00 177.39 178.14 3iiz h ALA 239 N 3.72 2.03 -0.71 -1.18 0.00 -1.47 -1.34 119.26 120.32 3iiz h ALA 239 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3iiz h ALA 239 Cb 1.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3iiz h ALA 239 CO 0.29 -0.43 0.00 0.09 0.00 0.00 0.00 179.25 179.20 3iiz n ASN 240 N -4.69 3.78 -4.91 0.00 3.02 -1.26 -4.69 115.26 106.50 3iiz n ASN 240 Ca 0.24 -2.00 -0.27 0.00 -0.03 0.00 0.00 54.58 52.53 3iiz n ASN 240 Cb 0.77 -0.47 0.01 0.00 -0.61 0.00 0.00 39.78 39.48 3iiz n ASN 240 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3iiz s GLU 241 N -1.06 3.25 0.29 3.52 0.41 -0.50 -5.04 118.70 119.57 3iiz s GLU 241 Ca 0.47 0.06 -0.28 0.00 -0.41 0.00 0.00 54.97 54.81 3iiz s GLU 241 Cb 0.25 -2.35 -0.09 0.00 -1.78 0.00 0.00 34.13 30.15 3iiz s GLU 241 CO 0.32 -0.41 0.95 0.15 -0.49 0.00 0.00 175.26 175.79 3iiz s LYS 242 N -4.82 4.69 0.65 1.61 1.02 -1.26 -4.74 119.74 116.89 3iiz s LYS 242 Ca 0.50 1.42 -0.16 0.00 0.02 0.00 0.00 55.97 57.75 3iiz s LYS 242 Cb -0.10 -3.01 -0.00 0.00 -0.52 0.00 0.00 37.83 34.20 3iiz s LYS 242 CO 0.44 0.37 1.13 -1.59 -0.92 0.00 0.00 175.35 174.78 3iiz s LYS 243 N -1.68 2.77 0.58 1.68 -2.85 -1.26 -4.83 119.74 114.15 3iiz s LYS 243 Ca 0.46 1.48 -0.20 0.00 -1.00 0.00 0.00 55.97 56.72 3iiz s LYS 243 Cb -0.22 -1.94 -0.04 0.00 -2.06 0.00 0.00 37.83 33.57 3iiz s LYS 243 CO 0.28 -1.29 1.23 0.20 0.10 0.00 0.00 175.35 175.87 3iiz s GLY 244 N -2.37 2.77 -0.03 0.59 0.00 0.27 -4.97 107.32 103.58 3iiz s GLY 244 Ca 0.69 1.06 -0.30 0.00 0.00 0.00 0.00 44.72 46.17 3iiz s GLY 244 CO 0.40 1.47 0.98 -0.35 0.00 0.00 0.00 173.10 175.60 3iiz s ASP 245 N -1.47 7.33 0.13 1.64 2.15 -1.26 -4.82 116.67 120.36 3iiz s ASP 245 Ca 0.76 1.61 -0.17 0.00 0.43 0.00 0.00 52.55 55.17 3iiz s ASP 245 Cb -0.32 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 39.72 3iiz s ASP 245 CO 0.35 -0.30 1.73 0.15 -0.17 0.00 0.00 175.17 176.93 3iiz h PHE 246 N 6.88 0.47 -0.61 -5.34 3.57 -1.96 -2.01 116.94 117.93 3iiz h PHE 246 Ca -0.38 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 3iiz h PHE 246 Cb 1.20 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 3iiz h PHE 246 CO 0.69 0.38 0.27 1.15 -2.23 0.00 0.00 178.31 178.58 3iiz h THR 247 N 0.42 1.22 -0.64 4.41 2.02 -1.99 0.62 112.91 118.97 3iiz h THR 247 Ca 0.12 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 3iiz h THR 247 Cb 0.07 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 3iiz h THR 247 CO -0.02 0.26 0.33 0.25 0.37 0.00 0.00 175.52 176.71 3iiz h LEU 248 N 0.85 0.81 -0.85 2.58 5.85 -1.96 -0.73 115.31 121.86 3iiz h LEU 248 Ca 0.21 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 3iiz h LEU 248 Cb 0.15 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3iiz h LEU 248 CO -0.02 0.70 0.21 0.74 -0.34 0.00 0.00 178.44 179.72 3iiz h THR 249 N 0.87 1.25 -0.62 1.05 2.02 -0.96 -1.48 112.91 115.05 3iiz h THR 249 Ca 0.22 -0.88 -0.08 0.00 0.77 0.00 0.00 66.41 66.44 3iiz h THR 249 Cb 0.08 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3iiz h THR 249 CO -0.03 0.34 0.06 0.25 0.37 0.00 0.00 175.52 176.51 3iiz h LEU 250 N 1.02 1.00 -1.01 2.58 5.85 -0.49 -1.10 115.31 123.16 3iiz h LEU 250 Ca 0.22 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.73 3iiz h LEU 250 Cb 0.30 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3iiz h LEU 250 CO -0.01 1.02 0.66 0.11 -0.34 0.00 0.00 178.44 179.88 3iiz h LYS 251 N 0.96 1.23 -0.74 1.25 1.57 -0.77 0.13 116.57 120.21 3iiz h LYS 251 Ca 0.18 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3iiz h LYS 251 Cb 0.47 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3iiz h LYS 251 CO 0.02 0.82 0.34 0.52 -0.57 0.00 0.00 179.45 180.58 3iiz h MET 252 N 1.27 1.07 -0.09 3.15 2.86 -0.53 0.17 114.93 122.84 3iiz h MET 252 Ca 0.40 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3iiz h MET 252 Cb 0.00 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.47 3iiz h MET 252 CO -0.13 0.85 0.05 0.28 1.06 0.00 0.00 176.91 179.03 3iiz h VAL 253 N 1.04 1.04 -0.23 -2.22 2.07 -0.72 -0.92 116.25 116.31 3iiz h VAL 253 Ca 0.25 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.70 3iiz h VAL 253 Cb 0.14 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3iiz h VAL 253 CO -0.03 0.04 0.05 0.00 0.02 0.00 0.00 177.57 177.65 3iiz h ALA 254 N 1.00 0.24 -0.20 1.67 0.00 -0.77 -1.13 119.26 120.08 3iiz h ALA 254 Ca 0.03 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3iiz h ALA 254 Cb 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3iiz h ALA 254 CO -0.01 -0.37 -0.24 -0.07 0.00 0.00 0.00 179.25 178.56 3iiz h LEU 255 N 0.14 0.36 -0.69 0.00 3.38 -0.92 -1.54 115.31 116.04 3iiz h LEU 255 Ca 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3iiz h LEU 255 Cb 0.10 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3iiz h LEU 255 CO -0.14 0.60 0.31 0.74 0.09 0.00 0.00 178.44 180.05 3iiz h THR 256 N 0.33 1.24 -0.66 0.22 2.02 -0.54 0.78 112.91 116.29 3iiz h THR 256 Ca 0.05 -0.70 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 3iiz h THR 256 Cb 0.60 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 3iiz h THR 256 CO 0.04 0.28 0.26 -0.09 0.37 0.00 0.00 175.52 176.39 3iiz h ARG 257 N 0.97 0.98 -0.57 6.66 9.65 -0.77 0.16 114.38 131.46 3iiz h ARG 257 Ca 0.23 -0.18 -0.08 0.00 -1.10 0.00 0.00 59.98 58.85 3iiz h ARG 257 Cb 0.16 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 3iiz h ARG 257 CO -0.03 0.82 0.03 0.82 2.80 0.00 0.00 179.97 184.42 3iiz h ILE 258 N 0.93 1.26 -0.16 1.20 2.04 -0.80 -2.59 117.51 119.39 3iiz h ILE 258 Ca 0.22 -1.08 -0.20 0.00 1.00 0.00 0.00 64.86 64.80 3iiz h ILE 258 Cb 0.20 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3iiz h ILE 258 CO -0.02 0.39 -0.72 -0.07 0.00 0.00 0.00 178.15 177.73 3iiz h LEU 259 N 0.87 0.82 -6.24 1.44 3.38 -0.65 -3.38 115.31 111.55 3iiz h LEU 259 Ca 0.16 -0.51 -0.60 0.00 0.09 0.00 0.00 57.88 57.02 3iiz h LEU 259 Cb 0.50 -0.24 -0.42 0.00 0.09 0.00 0.00 40.66 40.60 3iiz h LEU 259 CO 0.02 1.29 -0.66 0.18 0.09 0.00 0.00 178.44 179.37 3iiz n LEU 260 N -3.92 3.18 0.30 1.67 4.77 0.53 -4.98 117.00 118.54 3iiz n LEU 260 Ca -0.06 -5.31 0.16 0.00 -0.03 0.00 0.00 56.01 50.77 3iiz n LEU 260 Cb 0.71 -0.49 0.95 0.00 -2.33 0.00 0.00 43.42 42.26 3iiz n LEU 260 CO 0.51 2.03 1.11 1.55 -1.33 0.00 0.00 177.39 181.26 3iiz h PRO 261 N 4.27 0.00 -0.47 3.23 0.13 -1.65 -1.94 132.00 135.57 3iiz h PRO 261 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3iiz h PRO 261 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3iiz h PRO 261 CO 0.77 0.02 0.00 -0.40 -0.23 0.00 0.00 178.00 178.16 3iiz n ASP 262 N -3.62 4.41 -4.90 1.44 5.68 -1.26 -4.51 116.55 113.78 3iiz n ASP 262 Ca -0.03 -2.65 -0.28 0.00 -0.50 0.00 0.00 54.79 51.33 3iiz n ASP 262 Cb 0.11 -0.54 0.03 0.00 -1.14 0.00 0.00 41.12 39.59 3iiz n ASP 262 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3iiz s SER 263 N -1.22 5.68 -0.21 -1.12 1.04 -0.73 -4.38 113.70 112.76 3iiz s SER 263 Ca 0.45 0.96 -0.17 0.00 0.48 0.00 0.00 55.95 57.67 3iiz s SER 263 Cb 0.32 -1.92 -0.04 0.00 0.10 0.00 0.00 66.02 64.48 3iiz s SER 263 CO 0.17 -1.09 0.43 0.20 0.98 0.00 0.00 173.24 173.93 3iiz s ASN 264 N -4.29 6.46 -0.21 7.02 0.01 0.11 -4.97 114.94 119.07 3iiz s ASN 264 Ca 0.55 0.54 -0.02 0.00 -0.71 0.00 0.00 52.86 53.22 3iiz s ASN 264 Cb -0.11 -2.25 0.06 0.00 0.41 0.00 0.00 41.25 39.37 3iiz s ASN 264 CO 0.48 -0.12 0.01 -0.63 -1.51 0.00 0.00 177.10 175.33 3iiz s ILE 265 N 1.49 0.85 0.53 0.60 1.01 -1.26 -1.57 121.20 122.85 3iiz s ILE 265 Ca 0.20 -0.78 -0.19 0.00 0.00 0.00 0.00 60.65 59.88 3iiz s ILE 265 Cb -0.15 -1.29 -0.06 0.00 0.01 0.00 0.00 42.46 40.97 3iiz s ILE 265 CO 0.09 -0.18 1.07 -2.16 0.00 0.00 0.00 174.94 173.75 3iiz s PRO 266 N 1.70 3.55 -0.65 2.79 0.04 -1.25 -0.79 135.00 140.39 3iiz s PRO 266 Ca -0.02 1.40 -0.23 0.00 0.04 0.00 0.00 61.00 62.19 3iiz s PRO 266 Cb -0.18 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.37 3iiz s PRO 266 CO -0.08 -0.65 1.00 0.00 0.04 0.00 0.00 177.00 177.31 3iiz s ALA 267 N -2.03 3.08 0.57 8.56 0.00 -0.00 -4.67 121.76 127.27 3iiz s ALA 267 Ca 0.68 -1.71 -0.16 0.00 0.00 0.00 0.00 51.96 50.77 3iiz s ALA 267 Cb -0.18 -3.89 -0.05 0.00 0.00 0.00 0.00 23.12 19.00 3iiz s ALA 267 CO 0.26 -2.78 1.03 0.95 0.00 0.00 0.00 175.76 175.21 3iiz s THR 268 N 4.24 4.15 0.44 0.00 -4.23 -1.26 -4.59 115.64 114.39 3iiz s THR 268 Ca 0.25 0.99 0.11 0.00 -1.18 0.00 0.00 61.69 61.85 3iiz s THR 268 Cb -0.15 -3.54 0.28 0.00 1.34 0.00 0.00 72.50 70.43 3iiz s THR 268 CO 0.12 -0.63 2.05 0.74 -0.54 0.00 0.00 174.62 176.36 3iiz h THR 269 N 0.53 1.03 -0.34 3.99 2.02 -1.94 -1.15 112.91 117.05 3iiz h THR 269 Ca -0.46 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.52 3iiz h THR 269 Cb 1.20 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3iiz h THR 269 CO 0.59 0.07 -0.00 0.00 0.37 0.00 0.00 175.52 176.56 3iiz h ALA 270 N 1.78 1.37 -0.80 6.16 0.00 -1.91 -0.60 119.26 125.24 3iiz h ALA 270 Ca 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3iiz h ALA 270 Cb 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3iiz h ALA 270 CO -0.04 0.44 0.43 0.52 0.00 0.00 0.00 179.25 180.60 3iiz h MET 271 N 0.51 1.12 0.00 0.00 2.07 -1.54 -2.04 114.93 115.05 3iiz h MET 271 Ca 0.11 -0.14 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 3iiz h MET 271 Cb 0.33 -0.22 0.00 0.00 -1.87 0.00 0.00 31.60 29.84 3iiz h MET 271 CO 0.01 0.84 0.00 0.78 1.07 0.00 0.00 176.91 179.61 3iiz h GLY 272 N 1.12 0.00 0.90 8.32 0.00 -1.13 -3.17 103.07 109.10 3iiz h GLY 272 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.28 3iiz h GLY 272 CO -0.04 0.00 -1.62 -0.84 0.00 0.00 0.00 176.54 174.04 3iiz h THR 273 N 0.00 1.03 0.00 4.70 2.02 -0.64 -3.37 112.91 116.64 3iiz h THR 273 Ca 0.00 -2.52 -0.15 0.00 0.77 0.00 0.00 66.41 64.51 3iiz h THR 273 Cb 0.57 2.82 -0.02 0.00 -1.74 0.00 0.00 68.15 69.78 3iiz h THR 273 CO 0.00 0.82 -0.71 -0.29 0.37 0.00 0.00 175.52 175.71 3iiz h ILE 274 N 0.02 1.46 -3.42 3.11 2.10 -1.42 -3.43 117.51 115.93 3iiz h ILE 274 Ca -0.32 -2.47 -0.34 0.00 1.08 0.00 0.00 64.86 62.81 3iiz h ILE 274 Cb 2.04 2.35 -0.36 0.00 -1.09 0.00 0.00 36.82 39.75 3iiz h ILE 274 CO 0.17 0.70 -0.74 -0.69 -1.08 0.00 0.00 178.15 176.51 3iiz s VAL 275 N -3.31 -0.06 0.12 2.19 1.01 -1.20 -5.05 120.40 114.10 3iiz s VAL 275 Ca -0.00 0.30 -0.33 0.00 0.00 0.00 0.00 61.98 61.95 3iiz s VAL 275 Cb 0.12 -0.13 -0.12 0.00 0.00 0.00 0.00 36.38 36.25 3iiz s VAL 275 CO 0.77 0.14 1.74 -2.65 0.00 0.00 0.00 175.10 175.10 3iiz n PRO 276 N 4.69 2.49 -1.04 2.72 -0.02 -1.26 -0.77 135.00 141.82 3iiz n PRO 276 Ca -0.17 0.90 -0.01 0.00 -2.02 0.00 0.00 63.50 62.20 3iiz n PRO 276 Cb 0.50 -2.74 -0.01 0.00 -0.02 0.00 0.00 33.50 31.23 3iiz n PRO 276 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iiz n GLY 277 N 3.93 0.51 0.27 -1.23 0.00 -1.26 -4.95 105.19 102.46 3iiz n GLY 277 Ca 0.18 -0.62 0.02 0.00 0.00 0.00 0.00 46.02 45.60 3iiz n GLY 277 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3iiz h GLY 278 N 0.00 0.45 1.10 -0.02 0.00 -1.10 -2.34 103.07 101.17 3iiz h GLY 278 Ca -0.03 -0.24 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 3iiz h GLY 278 CO 0.04 0.22 -0.40 3.21 0.00 0.00 0.00 176.54 179.61 3iiz h ARG 279 N 0.41 0.89 -0.55 4.80 3.08 -1.83 -1.77 114.38 119.42 3iiz h ARG 279 Ca 0.10 -0.49 -0.04 0.00 0.07 0.00 0.00 59.98 59.61 3iiz h ARG 279 Cb 0.22 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3iiz h ARG 279 CO 0.00 1.13 0.17 0.93 -1.07 0.00 0.00 179.97 181.13 3iiz h GLU 280 N 0.69 0.85 -0.37 0.04 3.07 -1.90 0.52 114.58 117.47 3iiz h GLU 280 Ca 0.05 -0.18 0.03 0.00 -0.50 0.00 0.00 59.36 58.76 3iiz h GLU 280 Cb 0.99 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.75 3iiz h GLU 280 CO 0.10 0.78 0.16 0.82 -1.40 0.00 0.00 179.01 179.47 3iiz h ILE 281 N 0.76 0.95 -0.55 3.13 2.04 -1.33 -2.84 117.51 119.67 3iiz h ILE 281 Ca 0.18 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 3iiz h ILE 281 Cb 0.28 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3iiz h ILE 281 CO -0.01 0.06 0.26 0.74 0.00 0.00 0.00 178.15 179.20 3iiz h THR 282 N 0.34 1.18 0.00 -0.27 2.02 -0.48 0.19 112.91 115.89 3iiz h THR 282 Ca 0.16 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3iiz h THR 282 Cb 0.10 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3iiz h THR 282 CO -0.13 0.22 0.00 -0.07 0.37 0.00 0.00 175.52 175.90 3iiz h LEU 283 N 0.77 0.00 -2.65 2.58 3.38 -0.71 -1.80 115.31 116.88 3iiz h LEU 283 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3iiz h LEU 283 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3iiz h LEU 283 CO -0.02 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.05 3iiz n ARG 284 N -2.76 2.66 -0.34 1.13 1.74 0.03 -4.25 116.66 114.87 3iiz n ARG 284 Ca 0.00 -2.50 0.05 0.00 -0.77 0.00 0.00 57.85 54.63 3iiz n ARG 284 Cb 0.21 -1.53 0.08 0.00 -1.02 0.00 0.00 32.46 30.21 3iiz n ARG 284 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iiz n GLY 286 N -0.72 1.43 3.82 0.00 0.00 -1.16 -3.55 105.19 105.02 3iiz n GLY 286 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3iiz n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iiz s ALA 287 N -0.75 2.96 0.00 4.61 0.00 -0.79 -4.82 121.76 122.97 3iiz s ALA 287 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.31 3iiz s ALA 287 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 3iiz s ALA 287 CO 0.00 -0.27 0.40 0.27 0.00 0.00 0.00 175.76 176.17 3iiz n ASN 288 N -1.32 0.00 -4.07 0.00 6.94 0.03 -4.54 115.26 112.31 3iiz n ASN 288 Ca 0.08 -1.00 -0.17 0.00 -0.02 0.00 0.00 54.58 53.47 3iiz n ASN 288 Cb 0.54 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.83 3iiz n ASN 288 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3iiz s VAL 289 N 0.00 0.73 0.03 3.53 1.01 -1.02 -1.72 120.40 122.96 3iiz s VAL 289 Ca 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.18 3iiz s VAL 289 Cb 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 3iiz s VAL 289 CO 0.00 -0.09 -0.07 -0.51 0.00 0.00 0.00 175.10 174.42 3iiz s ILE 290 N -0.83 0.55 -0.61 2.22 1.10 -0.41 -0.82 121.20 122.40 3iiz s ILE 290 Ca -0.02 -0.78 0.05 0.00 -0.51 0.00 0.00 60.65 59.38 3iiz s ILE 290 Cb -0.07 -0.56 0.17 0.00 0.15 0.00 0.00 42.46 42.15 3iiz s ILE 290 CO 0.01 -0.18 0.44 -0.04 -2.11 0.00 0.00 174.94 173.05 3iiz s MET 291 N -1.04 1.98 0.41 3.50 -1.94 -1.26 -0.92 119.30 120.02 3iiz s MET 291 Ca -0.05 -2.94 -0.26 0.00 -1.71 0.00 0.00 55.69 50.73 3iiz s MET 291 Cb -0.07 -2.83 -0.09 0.00 2.01 0.00 0.00 34.83 33.85 3iiz s MET 291 CO 0.00 -1.30 1.36 -1.25 -0.01 0.00 0.00 175.02 173.81 3iiz s PRO 292 N -0.94 3.94 0.00 2.03 0.04 -1.18 -4.74 135.00 134.15 3iiz s PRO 292 Ca 0.27 2.28 -0.30 0.00 0.04 0.00 0.00 61.00 63.28 3iiz s PRO 292 Cb -0.04 -2.78 -0.06 0.00 0.04 0.00 0.00 34.50 31.66 3iiz s PRO 292 CO -0.16 -0.56 1.59 1.21 0.04 0.00 0.00 177.00 179.12 3iiz s ASN 293 N -0.59 6.69 -0.06 6.66 3.84 -1.26 -2.03 114.94 128.19 3iiz s ASN 293 Ca 0.57 2.29 0.09 0.00 0.21 0.00 0.00 52.86 56.02 3iiz s ASN 293 Cb -0.41 -2.55 0.14 0.00 -0.55 0.00 0.00 41.25 37.88 3iiz s ASN 293 CO 0.53 -0.86 1.07 1.87 -2.79 0.00 0.00 177.10 176.92 3iiz n TRP 294 N 6.18 0.02 -2.22 0.43 -0.00 0.14 -4.49 117.44 117.49 3iiz n TRP 294 Ca 0.16 -0.72 -0.42 0.00 -0.00 0.00 0.00 57.50 56.51 3iiz n TRP 294 Cb 0.42 -0.10 -0.03 0.00 -0.00 0.00 0.00 31.31 31.61 3iiz n TRP 294 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 3iiz s THR 295 N -1.85 3.42 0.59 5.87 2.01 -1.11 -4.74 115.64 119.84 3iiz s THR 295 Ca 0.15 1.03 -0.13 0.00 0.31 0.00 0.00 61.69 63.05 3iiz s THR 295 Cb 0.13 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 3iiz s THR 295 CO 0.02 0.09 1.02 -2.16 -0.69 0.00 0.00 174.62 172.89 3iiz s PRO 296 N 1.00 3.65 0.59 4.92 0.04 -1.26 -4.51 135.00 139.43 3iiz s PRO 296 Ca 0.63 0.83 -0.19 0.00 0.04 0.00 0.00 61.00 62.31 3iiz s PRO 296 Cb -0.36 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 3iiz s PRO 296 CO 0.31 -0.52 1.22 -1.12 0.04 0.00 0.00 177.00 176.93 3iiz s SER 297 N -3.83 5.17 -0.01 6.66 0.01 -1.26 -1.40 113.70 119.05 3iiz s SER 297 Ca 0.56 2.43 0.08 0.00 1.31 0.00 0.00 55.95 60.34 3iiz s SER 297 Cb -0.11 -2.60 0.25 0.00 0.21 0.00 0.00 66.02 63.77 3iiz s SER 297 CO 0.48 -1.61 1.18 -0.81 0.41 0.00 0.00 173.24 172.88 3iiz n PRO 298 N -1.54 1.75 0.00 12.44 -0.04 -1.26 -4.88 135.00 141.46 3iiz n PRO 298 Ca 0.13 -1.02 -0.13 0.00 -0.04 0.00 0.00 63.50 62.44 3iiz n PRO 298 Cb 0.49 -1.29 -0.14 0.00 -0.04 0.00 0.00 33.50 32.52 3iiz n PRO 298 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3iiz h TYR 299 N 1.61 0.20 -0.85 0.54 0.99 -1.60 -3.38 116.97 114.49 3iiz h TYR 299 Ca 0.00 -0.15 0.19 0.00 2.00 0.00 0.00 58.73 60.78 3iiz h TYR 299 Cb 0.46 -0.01 -0.12 0.00 1.00 0.00 0.00 36.73 38.06 3iiz h TYR 299 CO 0.21 1.27 0.35 -0.09 -0.00 0.00 0.00 178.16 179.90 3iiz h ARG 300 N 0.03 0.39 0.00 4.88 2.43 -1.51 0.10 114.38 120.71 3iiz h ARG 300 Ca -0.30 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3iiz h ARG 300 Cb 2.01 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.47 3iiz h ARG 300 CO 0.10 0.26 0.00 0.00 -1.51 0.00 0.00 179.97 178.82 3iiz n GLN 301 N -5.04 0.17 0.00 0.20 10.64 -1.26 -2.57 117.38 119.52 3iiz n GLN 301 Ca 0.19 0.37 0.12 0.00 -1.83 0.00 0.00 57.00 55.85 3iiz n GLN 301 Cb 0.57 -1.81 0.13 0.00 -0.86 0.00 0.00 30.24 28.27 3iiz n GLN 301 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3iiz n LEU 302 N -2.13 1.42 -4.14 2.61 4.77 0.35 -4.55 117.00 115.34 3iiz n LEU 302 Ca 0.03 -0.49 -0.44 0.00 -0.03 0.00 0.00 56.01 55.08 3iiz n LEU 302 Cb 0.24 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3iiz n LEU 302 CO 0.20 0.28 1.30 0.00 -1.33 0.00 0.00 177.39 177.83 3iiz n TYR 303 N -0.57 3.66 -3.20 -1.77 9.36 -1.06 -4.90 117.16 118.68 3iiz n TYR 303 Ca 0.09 -3.10 -0.40 0.00 3.32 0.00 0.00 57.90 57.82 3iiz n TYR 303 Cb 0.40 -1.70 -0.02 0.00 -0.63 0.00 0.00 39.34 37.39 3iiz n TYR 303 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 3iiz n GLN 304 N 3.05 3.80 -0.24 2.98 6.02 -1.26 -4.81 117.38 126.92 3iiz n GLN 304 Ca 0.31 -4.56 -0.07 0.00 -0.01 0.00 0.00 57.00 52.67 3iiz n GLN 304 Cb 0.37 -2.46 0.04 0.00 1.02 0.00 0.00 30.24 29.21 3iiz n GLN 304 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3iiz h LEU 305 N 5.44 0.93 -8.22 1.08 3.38 -1.90 -3.35 115.31 112.66 3iiz h LEU 305 Ca 0.19 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 3iiz h LEU 305 Cb 0.68 -0.24 -0.16 0.00 0.09 0.00 0.00 40.66 41.03 3iiz h LEU 305 CO 1.15 0.87 -0.68 -0.72 0.09 0.00 0.00 178.44 179.14 3iiz s TYR 306 N -5.48 0.52 0.68 1.13 -0.85 -1.26 -1.09 117.35 111.00 3iiz s TYR 306 Ca -0.13 -0.99 -0.13 0.00 -0.52 0.00 0.00 57.07 55.31 3iiz s TYR 306 Cb 0.14 -0.38 0.00 0.00 0.38 0.00 0.00 41.96 42.10 3iiz s TYR 306 CO 0.82 -0.34 1.07 -1.25 -1.52 0.00 0.00 175.55 174.33 3iiz s PRO 307 N -3.60 2.91 -1.62 -3.49 0.04 -1.26 -4.09 135.00 123.89 3iiz s PRO 307 Ca 0.05 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.19 3iiz s PRO 307 Cb 0.06 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3iiz s PRO 307 CO -0.08 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.24 3iiz n GLY 308 N -1.43 1.11 0.34 0.56 0.00 -1.26 -4.89 105.19 99.62 3iiz n GLY 308 Ca 0.08 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.97 3iiz n GLY 308 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iiz n LYS 309 N -2.54 -0.08 0.00 1.61 3.00 -1.26 -4.83 118.16 114.07 3iiz n LYS 309 Ca -0.17 1.47 0.00 0.00 -0.00 0.00 0.00 58.31 59.62 3iiz n LYS 309 Cb 0.56 -2.29 0.00 0.00 0.00 0.00 0.00 35.03 33.30 3iiz n LYS 309 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 3iiz n ILE 310 N -5.50 0.00 0.00 3.15 -5.35 -1.26 -4.41 119.36 105.99 3iiz n ILE 310 Ca 0.20 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.68 3iiz n ILE 310 Cb 0.65 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.55 3iiz n ILE 310 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3iiz h VAL 312 N 0.00 1.24 -0.00 0.00 2.07 -1.93 -2.78 116.25 114.85 3iiz h VAL 312 Ca 0.00 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3iiz h VAL 312 Cb 0.00 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3iiz h VAL 312 CO 0.00 0.30 -0.20 0.49 0.02 0.00 0.00 177.57 178.18 3iiz n PHE 313 N -4.30 0.00 -1.87 1.57 3.01 -1.26 -4.72 117.46 109.88 3iiz n PHE 313 Ca 0.07 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.22 3iiz n PHE 313 Cb 0.16 -0.28 0.01 0.00 -0.01 0.00 0.00 39.48 39.36 3iiz n PHE 313 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3iiz s GLU 314 N -2.76 3.56 0.85 -1.08 0.41 -1.05 -5.03 118.70 113.60 3iiz s GLU 314 Ca 0.20 0.77 -0.11 0.00 -0.41 0.00 0.00 54.97 55.42 3iiz s GLU 314 Cb 0.19 -2.08 0.10 0.00 -1.78 0.00 0.00 34.13 30.57 3iiz s GLU 314 CO 0.56 -0.60 1.10 0.15 -0.49 0.00 0.00 175.26 175.98 3iiz s LYS 315 N -5.12 1.59 0.35 1.61 1.02 -1.26 -4.91 119.74 113.03 3iiz s LYS 315 Ca 0.55 1.19 0.08 0.00 0.02 0.00 0.00 55.97 57.82 3iiz s LYS 315 Cb -0.11 -1.82 0.80 0.00 -0.52 0.00 0.00 37.83 36.18 3iiz s LYS 315 CO 0.53 -2.12 1.88 -0.44 -0.92 0.00 0.00 175.35 174.28 3iiz h ASP 316 N -1.48 0.66 -0.47 2.83 3.32 -1.96 -1.53 116.42 117.80 3iiz h ASP 316 Ca -0.45 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3iiz h ASP 316 Cb 1.26 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3iiz h ASP 316 CO 0.49 0.35 0.00 0.35 -1.72 0.00 0.00 179.24 178.71 3iiz n THR 317 N -4.55 0.72 0.14 0.35 -2.24 -1.26 -4.66 114.28 102.78 3iiz n THR 317 Ca 0.17 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 3iiz n THR 317 Cb 0.44 0.76 0.28 0.00 -2.10 0.00 0.00 70.33 69.71 3iiz n THR 317 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iiz h ALA 318 N 3.79 1.22 0.03 6.98 0.00 -1.62 -3.37 119.26 126.29 3iiz h ALA 318 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 54.91 54.30 3iiz h ALA 318 Cb 0.90 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3iiz h ALA 318 CO 0.00 0.56 -0.97 0.00 0.00 0.00 0.00 179.25 178.84 3iiz h ILE 320 N 0.07 0.78 -0.87 0.00 2.04 -1.85 -1.55 117.51 116.14 3iiz h ILE 320 Ca -0.05 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.39 3iiz h ILE 320 Cb 1.64 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 38.71 3iiz h ILE 320 CO 0.14 0.11 0.56 -0.65 0.00 0.00 0.00 178.15 178.31 3iiz h PRO 321 N -0.64 0.86 -0.55 2.37 0.11 -1.74 -1.55 132.00 130.87 3iiz h PRO 321 Ca -0.04 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3iiz h PRO 321 Cb 0.45 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 3iiz h PRO 321 CO 0.06 0.57 0.29 0.00 -0.21 0.00 0.00 178.00 178.71 3iiz h VAL 323 N 0.75 1.00 -0.54 0.00 -1.51 -0.79 -0.77 116.25 114.38 3iiz h VAL 323 Ca 0.19 -1.74 -0.03 0.00 -1.23 0.00 0.00 66.70 63.89 3iiz h VAL 323 Cb 0.08 2.04 -0.02 0.00 -2.13 0.00 0.00 31.29 31.25 3iiz h VAL 323 CO -0.03 0.44 0.23 0.24 -1.23 0.00 0.00 177.57 177.22 3iiz h MET 324 N 0.00 0.80 -0.41 5.19 2.86 -0.82 -0.15 114.93 122.40 3iiz h MET 324 Ca -0.00 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3iiz h MET 324 Cb 1.00 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 3iiz h MET 324 CO 0.06 0.69 0.16 -0.22 1.06 0.00 0.00 176.91 178.66 3iiz h LYS 325 N 0.74 0.62 -0.28 1.72 3.64 -0.96 -2.46 116.57 119.59 3iiz h LYS 325 Ca 0.18 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3iiz h LYS 325 Cb 0.17 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 3iiz h LYS 325 CO -0.02 0.58 0.01 1.98 -2.27 0.00 0.00 179.45 179.73 3iiz h MET 326 N 0.52 0.09 -0.74 1.90 4.05 -0.73 -0.99 114.93 119.04 3iiz h MET 326 Ca 0.14 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.59 3iiz h MET 326 Cb 0.20 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.93 3iiz h MET 326 CO -0.01 0.06 0.46 0.82 0.23 0.00 0.00 176.91 178.46 3iiz h ILE 327 N 0.09 1.07 -0.20 1.77 2.04 -0.90 -1.13 117.51 120.25 3iiz h ILE 327 Ca 0.14 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 3iiz h ILE 327 Cb 0.17 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3iiz h ILE 327 CO -0.22 0.16 -0.07 -0.08 0.00 0.00 0.00 178.15 177.94 3iiz h GLU 328 N 0.87 0.41 0.00 2.37 4.57 -1.10 -0.17 114.58 121.52 3iiz h GLU 328 Ca 0.30 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 3iiz h GLU 328 Cb 0.06 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3iiz h GLU 328 CO -0.13 0.67 -0.09 1.37 -1.18 0.00 0.00 179.01 179.66 3iiz h LEU 329 N 0.12 0.00 -0.07 1.64 8.10 -0.86 0.60 115.31 124.84 3iiz h LEU 329 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.04 3iiz h LEU 329 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 3iiz h LEU 329 CO 0.02 0.09 -0.03 0.18 -4.11 0.00 0.00 178.44 174.59 3iiz n LEU 330 N -3.30 0.13 -0.69 0.17 4.77 -0.46 -4.91 117.00 112.71 3iiz n LEU 330 Ca -0.01 0.17 -0.06 0.00 -0.03 0.00 0.00 56.01 56.08 3iiz n LEU 330 Cb 0.29 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3iiz n LEU 330 CO 0.28 0.02 -0.08 0.61 -1.33 0.00 0.00 177.39 176.90 3iiz n GLY 331 N 1.25 0.15 3.85 -0.72 0.00 0.20 -5.03 105.19 104.89 3iiz n GLY 331 Ca 0.16 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 3iiz n GLY 331 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iiz s ARG 332 N -4.22 2.23 0.07 1.61 1.81 -0.10 -5.03 118.95 115.32 3iiz s ARG 332 Ca 0.00 -2.16 0.07 0.00 -1.72 0.00 0.00 55.73 51.92 3iiz s ARG 332 Cb 0.00 -1.89 -0.03 0.00 -0.45 0.00 0.00 34.95 32.58 3iiz s ARG 332 CO 0.00 -0.53 -0.18 0.15 -0.68 0.00 0.00 175.30 174.06 3iiz s LYS 333 N -4.14 1.09 0.56 3.54 3.01 -0.52 -4.30 119.74 118.98 3iiz s LYS 333 Ca 0.23 -0.99 -0.17 0.00 -1.01 0.00 0.00 55.97 54.04 3iiz s LYS 333 Cb -0.01 -1.22 -0.05 0.00 -1.01 0.00 0.00 37.83 35.53 3iiz s LYS 333 CO 0.14 0.29 1.04 -1.25 0.51 0.00 0.00 175.35 176.08 3iiz s PRO 334 N -1.54 3.55 0.35 -1.68 0.04 -1.26 -0.38 135.00 134.07 3iiz s PRO 334 Ca 0.04 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 61.96 3iiz s PRO 334 Cb -0.09 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 3iiz s PRO 334 CO 0.03 -0.62 1.52 0.20 0.04 0.00 0.00 177.00 178.17 3iiz s GLY 335 N -2.72 2.66 -0.01 0.56 0.00 -0.96 -4.66 107.32 102.18 3iiz s GLY 335 Ca 0.63 1.57 0.09 0.00 0.00 0.00 0.00 44.72 47.01 3iiz s GLY 335 CO 0.33 2.36 0.77 3.21 0.00 0.00 0.00 173.10 179.76 3iiz h ARG 336 N 3.64 0.04 0.00 2.90 3.08 -1.93 -3.49 114.38 118.62 3iiz h ARG 336 Ca -0.50 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.48 3iiz h ARG 336 Cb 1.23 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3iiz h ARG 336 CO 0.69 0.70 0.00 -0.40 -1.07 0.00 0.00 179.97 179.89 3iiz n ASP 337 N -3.17 1.63 0.00 7.04 5.68 -1.26 -5.02 116.55 121.45 3iiz n ASP 337 Ca -0.15 -0.32 0.09 0.00 -0.50 0.00 0.00 54.79 53.91 3iiz n ASP 337 Cb 1.03 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 41.42 3iiz n ASP 337 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3iiz n TRP 338 N 0.00 0.00 -2.94 2.11 8.01 -1.26 -4.88 117.44 118.48 3iiz n TRP 338 Ca 0.00 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 56.03 3iiz n TRP 338 Cb 0.00 -0.45 0.04 0.00 -2.01 0.00 0.00 31.31 28.89 3iiz n TRP 338 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3iiz n GLY 339 N 0.36 -0.14 3.74 6.99 0.00 -1.26 -4.76 105.19 110.12 3iiz n GLY 339 Ca 0.05 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 3iiz n GLY 339 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iiz s GLY 340 N -2.93 1.74 0.28 -0.02 0.00 -1.26 -4.94 107.32 100.18 3iiz s GLY 340 Ca 0.28 0.39 -0.30 0.00 0.00 0.00 0.00 44.72 45.08 3iiz s GLY 340 CO 0.34 0.75 1.58 -2.13 0.00 0.00 0.00 173.10 173.65 3iiz n ARG 341 N -3.59 2.62 -3.81 2.90 0.63 -1.26 -4.95 116.66 109.19 3iiz n ARG 341 Ca 0.10 0.93 -0.34 0.00 -0.92 0.00 0.00 57.85 57.63 3iiz n ARG 341 Cb 0.53 -2.70 -0.11 0.00 0.45 0.00 0.00 32.46 30.62 3iiz n ARG 341 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3iiz s LYS 342 N -0.37 2.37 0.23 -0.14 1.02 -1.26 -5.07 119.74 116.52 3iiz s LYS 342 Ca 0.65 -2.65 -0.30 0.00 0.02 0.00 0.00 55.97 53.69 3iiz s LYS 342 Cb -0.52 -3.57 -0.10 0.00 -0.52 0.00 0.00 37.83 33.12 3iiz s LYS 342 CO 0.47 -1.16 1.50 1.03 -0.92 0.00 0.00 175.35 176.28 3iiz s ARG 343 N -0.30 4.23 -0.43 1.68 0.52 -1.26 -4.90 118.95 118.49 3iiz s ARG 343 Ca 0.18 2.35 -0.07 0.00 -0.52 0.00 0.00 55.73 57.67 3iiz s ARG 343 Cb -0.21 -3.11 0.10 0.00 0.52 0.00 0.00 34.95 32.24 3iiz s ARG 343 CO -0.03 -0.51 0.26 0.08 0.02 0.00 0.00 175.30 175.12 3iiz s VAL 344 N 0.37 3.86 0.11 3.52 1.01 -1.26 -5.08 120.40 122.93 3iiz s VAL 344 Ca 0.63 -1.74 -0.31 0.00 0.00 0.00 0.00 61.98 60.57 3iiz s VAL 344 Cb -0.43 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 3iiz s VAL 344 CO 0.40 -0.63 1.32 -0.36 0.00 0.00 0.00 175.10 175.83 3iiz s PHE 345 N 1.31 3.30 0.00 5.22 0.40 -1.26 -4.97 117.98 121.98 3iiz s PHE 345 Ca 0.05 1.09 0.00 0.00 -0.60 0.00 0.00 56.93 57.47 3iiz s PHE 345 Cb -0.24 -3.60 0.00 0.00 0.51 0.00 0.00 43.02 39.69 3iiz s PHE 345 CO -0.01 -2.00 0.00 -0.85 0.70 0.00 0.00 175.22 173.06 3iiz n GLU 346 N 3.72 0.00 0.00 0.44 0.28 -1.26 -5.26 120.64 118.56 3iiz n GLU 346 Ca 0.10 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.12 3iiz n GLU 346 Cb 0.43 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.32 3iiz n GLU 346 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22