#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibf n TYR 58 N 0.00 0.11 -4.63 -1.42 4.01 -1.26 -4.99 117.16 108.98 3ibf n TYR 58 Ca 0.00 -0.13 -0.27 0.00 -0.16 0.00 0.00 57.90 57.34 3ibf n TYR 58 Cb 0.00 -0.01 -0.14 0.00 -0.31 0.00 0.00 39.34 38.88 3ibf n TYR 58 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3ibf s GLN 59 N -0.89 1.45 0.42 -0.72 -0.21 -1.26 -5.11 119.66 113.34 3ibf s GLN 59 Ca 0.14 -1.04 -0.26 0.00 0.02 0.00 0.00 55.36 54.22 3ibf s GLN 59 Cb 0.09 -1.63 -0.09 0.00 1.00 0.00 0.00 33.01 32.38 3ibf s GLN 59 CO 0.13 0.41 1.38 0.71 -2.12 0.00 0.00 175.29 175.80 3ibf s TYR 60 N -0.87 2.64 -0.20 0.91 2.02 -1.26 -4.91 117.35 115.67 3ibf s TYR 60 Ca 0.09 1.32 -0.29 0.00 -0.37 0.00 0.00 57.07 57.82 3ibf s TYR 60 Cb -0.09 -3.82 -0.01 0.00 -0.40 0.00 0.00 41.96 37.64 3ibf s TYR 60 CO 0.03 -2.56 1.30 1.21 -1.57 0.00 0.00 175.55 173.96 3ibf s ASN 61 N -0.57 6.84 0.00 2.29 2.47 -1.26 -4.87 114.94 119.85 3ibf s ASN 61 Ca 0.58 1.58 0.21 0.00 0.42 0.00 0.00 52.86 55.65 3ibf s ASN 61 Cb -0.41 -2.54 0.53 0.00 -1.45 0.00 0.00 41.25 37.38 3ibf s ASN 61 CO 0.54 -0.87 1.45 0.23 -3.72 0.00 0.00 177.10 174.73 3ibf n MET 62 N 6.85 2.65 -1.88 0.43 2.81 -1.26 -4.78 117.12 121.94 3ibf n MET 62 Ca 0.14 -2.46 -0.42 0.00 -1.81 0.00 0.00 57.70 53.16 3ibf n MET 62 Cb 0.45 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.45 3ibf n MET 62 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3ibf n ASN 63 N 1.43 4.00 -4.21 7.83 5.15 -1.26 -4.87 115.26 123.33 3ibf n ASN 63 Ca 0.21 -2.85 -0.12 0.00 -0.60 0.00 0.00 54.58 51.22 3ibf n ASN 63 Cb 0.58 -1.65 -0.10 0.00 -0.53 0.00 0.00 39.78 38.08 3ibf n ASN 63 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3ibf s PHE 64 N 3.64 1.09 0.05 1.20 0.08 -1.26 -5.06 117.98 117.72 3ibf s PHE 64 Ca 0.49 -1.05 -0.26 0.00 0.12 0.00 0.00 56.93 56.24 3ibf s PHE 64 Cb 0.12 -0.62 -0.17 0.00 -0.57 0.00 0.00 43.02 41.78 3ibf s PHE 64 CO -0.04 -0.27 1.54 1.49 -0.10 0.00 0.00 175.22 177.85 3ibf h GLU 65 N 2.77 -0.22 -6.30 0.44 4.81 -1.86 -3.44 114.58 110.78 3ibf h GLU 65 Ca -0.36 0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 58.24 3ibf h GLU 65 Cb 1.20 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 30.52 3ibf h GLU 65 CO 0.62 -0.03 -0.64 0.15 -0.73 0.00 0.00 179.01 178.38 3ibf s LYS 66 N -5.54 2.64 0.05 1.92 1.02 -0.31 -5.01 119.74 114.50 3ibf s LYS 66 Ca -0.15 -0.80 -0.18 0.00 0.02 0.00 0.00 55.97 54.86 3ibf s LYS 66 Cb 0.04 -2.59 -0.16 0.00 -0.52 0.00 0.00 37.83 34.60 3ibf s LYS 66 CO 0.63 0.54 1.28 1.25 -0.92 0.00 0.00 175.35 178.13 3ibf h LEU 67 N 3.37 0.60 0.00 3.17 5.85 -1.86 -1.94 115.31 124.51 3ibf h LEU 67 Ca -0.47 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 57.65 3ibf h LEU 67 Cb 1.16 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3ibf h LEU 67 CO 0.61 1.08 0.00 0.61 -0.34 0.00 0.00 178.44 180.41 3ibf n GLY 68 N 0.54 1.97 3.83 3.75 0.00 -1.26 -1.33 105.19 112.69 3ibf n GLY 68 Ca -0.07 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 3ibf n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ibf s LYS 69 N -1.80 4.15 -0.19 1.61 2.20 -1.24 -1.48 119.74 122.99 3ibf s LYS 69 Ca 0.00 0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 56.33 3ibf s LYS 69 Cb 0.00 -2.89 0.05 0.00 -1.51 0.00 0.00 37.83 33.48 3ibf s LYS 69 CO 0.00 0.42 -0.01 0.00 -0.36 0.00 0.00 175.35 175.40 3ibf s ILE 71 N 1.70 5.27 -0.26 0.00 1.01 -0.62 -1.45 121.20 126.85 3ibf s ILE 71 Ca -0.01 0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.92 3ibf s ILE 71 Cb -0.17 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 38.71 3ibf s ILE 71 CO -0.07 0.25 0.04 -0.63 0.00 0.00 0.00 174.94 174.53 3ibf s ILE 72 N 1.59 3.83 -0.33 2.92 1.01 -0.50 -0.16 121.20 129.56 3ibf s ILE 72 Ca 0.11 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 3ibf s ILE 72 Cb -0.15 -2.87 -0.00 0.00 0.01 0.00 0.00 42.46 39.44 3ibf s ILE 72 CO 0.09 0.24 0.18 -0.63 0.00 0.00 0.00 174.94 174.82 3ibf s ILE 73 N 1.51 4.77 -0.58 2.92 1.01 0.11 -0.68 121.20 130.25 3ibf s ILE 73 Ca 0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 3ibf s ILE 73 Cb -0.16 -3.47 0.15 0.00 0.01 0.00 0.00 42.46 38.99 3ibf s ILE 73 CO 0.01 -0.00 0.37 0.21 0.00 0.00 0.00 174.94 175.53 3ibf s ASN 74 N 1.63 4.97 -0.34 3.58 2.47 0.14 -0.80 114.94 126.60 3ibf s ASN 74 Ca 0.05 -2.86 -0.20 0.00 0.42 0.00 0.00 52.86 50.26 3ibf s ASN 74 Cb -0.17 -1.79 -0.00 0.00 -1.45 0.00 0.00 41.25 37.84 3ibf s ASN 74 CO 0.07 -0.34 0.64 0.20 -3.72 0.00 0.00 177.10 173.96 3ibf s ASN 75 N 0.46 6.45 -0.05 -4.21 0.01 -0.35 -2.18 114.94 115.07 3ibf s ASN 75 Ca 0.17 0.24 0.02 0.00 -0.71 0.00 0.00 52.86 52.57 3ibf s ASN 75 Cb -0.22 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 3ibf s ASN 75 CO -0.03 -0.57 -0.03 1.17 -1.51 0.00 0.00 177.10 176.14 3ibf n LYS 76 N 6.01 1.16 -4.06 -0.60 4.81 -1.26 -4.48 118.16 119.75 3ibf n LYS 76 Ca -0.01 0.02 -0.34 0.00 -0.87 0.00 0.00 58.31 57.11 3ibf n LYS 76 Cb 0.49 -1.11 -0.14 0.00 0.02 0.00 0.00 35.03 34.28 3ibf n LYS 76 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3ibf s ASN 77 N -4.20 4.08 0.15 3.14 0.01 -1.26 -1.03 114.94 115.83 3ibf s ASN 77 Ca -0.06 -0.42 0.08 0.00 -0.71 0.00 0.00 52.86 51.75 3ibf s ASN 77 Cb 0.02 -1.68 -0.04 0.00 0.41 0.00 0.00 41.25 39.95 3ibf s ASN 77 CO 0.14 0.01 -0.08 -0.36 -1.51 0.00 0.00 177.10 175.30 3ibf s PHE 78 N 1.29 2.72 0.53 2.20 0.40 -1.26 -4.79 117.98 119.06 3ibf s PHE 78 Ca 0.03 -0.18 -0.22 0.00 -0.60 0.00 0.00 56.93 55.97 3ibf s PHE 78 Cb -0.14 -1.36 -0.05 0.00 0.51 0.00 0.00 43.02 41.97 3ibf s PHE 78 CO -0.04 0.48 1.33 -0.51 0.70 0.00 0.00 175.22 177.18 3ibf s ASP 79 N -2.62 5.42 0.35 1.36 1.01 0.67 -4.86 116.67 118.00 3ibf s ASP 79 Ca 0.24 2.70 0.05 0.00 0.71 0.00 0.00 52.55 56.25 3ibf s ASP 79 Cb -0.10 -2.63 0.70 0.00 1.01 0.00 0.00 42.92 41.90 3ibf s ASP 79 CO 0.15 -1.46 1.96 0.07 0.21 0.00 0.00 175.17 176.10 3ibf h LYS 80 N 1.57 0.79 -0.10 8.23 -0.00 -1.90 -0.75 116.57 124.42 3ibf h LYS 80 Ca -0.51 -0.05 0.03 0.00 -0.00 0.00 0.00 60.65 60.12 3ibf h LYS 80 Cb 1.29 -0.18 -0.00 0.00 -0.00 0.00 0.00 32.23 33.34 3ibf h LYS 80 CO 0.58 0.52 0.18 -0.39 -0.00 0.00 0.00 179.45 180.34 3ibf h VAL 81 N 0.81 0.26 0.00 0.07 -1.51 -1.93 0.32 116.25 114.26 3ibf h VAL 81 Ca 0.31 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 65.62 3ibf h VAL 81 Cb 0.19 0.84 -0.02 0.00 -2.13 0.00 0.00 31.29 30.17 3ibf h VAL 81 CO -0.10 0.00 -0.92 0.71 -1.23 0.00 0.00 177.57 176.03 3ibf h THR 82 N 0.00 0.98 -0.12 7.19 1.35 -1.45 -3.48 112.91 117.39 3ibf h THR 82 Ca 0.05 -2.49 -0.05 0.00 -0.55 0.00 0.00 66.41 63.37 3ibf h THR 82 Cb 0.40 2.43 -0.02 0.00 -1.73 0.00 0.00 68.15 69.23 3ibf h THR 82 CO -0.00 0.56 -0.04 0.61 -0.25 0.00 0.00 175.52 176.39 3ibf n GLY 83 N 1.32 0.55 3.78 5.82 0.00 0.11 -5.01 105.19 111.76 3ibf n GLY 83 Ca -0.03 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 3ibf n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ibf s MET 84 N -1.34 4.04 0.89 1.61 -1.94 -1.26 -5.09 119.30 116.21 3ibf s MET 84 Ca 0.00 0.19 -0.13 0.00 -1.71 0.00 0.00 55.69 54.04 3ibf s MET 84 Cb 0.00 -3.33 0.13 0.00 2.01 0.00 0.00 34.83 33.64 3ibf s MET 84 CO 0.00 0.45 1.19 0.20 -0.01 0.00 0.00 175.02 176.85 3ibf s GLY 85 N -0.21 1.62 0.35 -0.03 0.00 -1.26 -4.51 107.32 103.28 3ibf s GLY 85 Ca 0.19 -0.72 -0.28 0.00 0.00 0.00 0.00 44.72 43.91 3ibf s GLY 85 CO 0.07 -0.14 1.33 0.54 0.00 0.00 0.00 173.10 174.90 3ibf s VAL 86 N -3.51 2.61 -1.15 1.40 0.11 -1.26 -4.67 120.40 113.92 3ibf s VAL 86 Ca 0.65 0.60 -0.09 0.00 -2.93 0.00 0.00 61.98 60.21 3ibf s VAL 86 Cb -0.11 -3.38 0.25 0.00 -1.53 0.00 0.00 36.38 31.61 3ibf s VAL 86 CO 0.51 0.13 1.41 0.54 -3.33 0.00 0.00 175.10 174.37 3ibf n ARG 87 N 0.62 3.79 -1.72 1.54 1.74 -0.19 -5.02 116.66 117.41 3ibf n ARG 87 Ca 0.01 -4.21 -0.41 0.00 -0.77 0.00 0.00 57.85 52.46 3ibf n ARG 87 Cb 0.42 -2.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.16 3ibf n ARG 87 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3ibf n ASN 88 N 3.10 2.97 0.00 0.55 3.02 -1.26 -2.24 115.26 121.39 3ibf n ASN 88 Ca 0.30 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 56.02 3ibf n ASN 88 Cb 0.38 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.02 3ibf n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ibf n GLY 89 N 0.70 2.14 0.23 7.41 0.00 -1.26 -4.88 105.19 109.54 3ibf n GLY 89 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 3ibf n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibf h THR 90 N 0.00 0.89 -0.08 2.61 1.03 -1.85 -1.43 112.91 114.08 3ibf h THR 90 Ca 0.00 -0.72 -0.13 0.00 -0.01 0.00 0.00 66.41 65.55 3ibf h THR 90 Cb 0.00 1.42 -0.01 0.00 -1.07 0.00 0.00 68.15 68.49 3ibf h THR 90 CO 0.00 0.19 -0.53 0.44 -0.01 0.00 0.00 175.52 175.60 3ibf h ASP 91 N 0.00 0.25 -0.59 0.00 3.32 -1.90 0.18 116.42 117.68 3ibf h ASP 91 Ca -0.00 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.85 3ibf h ASP 91 Cb 0.40 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3ibf h ASP 91 CO 0.02 0.73 0.09 0.11 -1.72 0.00 0.00 179.24 178.48 3ibf h LYS 92 N 0.17 0.98 0.03 3.56 1.57 -1.68 -1.56 116.57 119.64 3ibf h LYS 92 Ca 0.00 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3ibf h LYS 92 Cb 1.00 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3ibf h LYS 92 CO 0.08 0.93 -0.01 -0.44 -0.57 0.00 0.00 179.45 179.44 3ibf h ASP 93 N 0.88 -0.04 -0.73 0.86 3.32 -1.01 -2.64 116.42 117.06 3ibf h ASP 93 Ca 0.18 -0.36 0.12 0.00 0.02 0.00 0.00 57.03 56.99 3ibf h ASP 93 Cb 0.43 0.01 -0.09 0.00 0.22 0.00 0.00 39.33 39.90 3ibf h ASP 93 CO 0.01 0.35 0.32 0.00 -1.72 0.00 0.00 179.24 178.20 3ibf h ALA 94 N 0.53 1.02 -0.09 3.45 0.00 -0.55 0.43 119.26 124.06 3ibf h ALA 94 Ca -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ibf h ALA 94 Cb 0.40 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ibf h ALA 94 CO 0.01 -0.15 0.02 1.49 0.00 0.00 0.00 179.25 180.61 3ibf h GLU 95 N 0.50 0.14 -0.69 0.00 4.81 -1.29 -0.48 114.58 117.57 3ibf h GLU 95 Ca 0.39 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.64 3ibf h GLU 95 Cb 0.53 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 3ibf h GLU 95 CO -0.35 0.33 0.40 0.00 -0.73 0.00 0.00 179.01 178.66 3ibf h ALA 96 N 0.81 0.92 -0.62 2.92 0.00 -1.03 -1.22 119.26 121.03 3ibf h ALA 96 Ca 0.03 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3ibf h ALA 96 Cb 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3ibf h ALA 96 CO 0.00 0.09 0.20 -0.07 0.00 0.00 0.00 179.25 179.47 3ibf h LEU 97 N 0.74 0.86 -0.68 0.00 3.38 -0.79 -1.96 115.31 116.86 3ibf h LEU 97 Ca 0.30 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3ibf h LEU 97 Cb 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3ibf h LEU 97 CO -0.17 0.81 0.34 0.15 0.09 0.00 0.00 178.44 179.66 3ibf h PHE 98 N 0.90 0.97 -0.18 1.13 3.57 0.07 -1.50 116.94 121.90 3ibf h PHE 98 Ca 0.20 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3ibf h PHE 98 Cb 0.25 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 3ibf h PHE 98 CO 0.02 0.71 -0.07 0.87 -2.23 0.00 0.00 178.31 177.61 3ibf h LYS 99 N 0.94 0.36 0.38 1.11 1.57 -1.02 -1.89 116.57 118.03 3ibf h LYS 99 Ca 0.24 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3ibf h LYS 99 Cb 0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3ibf h LYS 99 CO -0.03 0.65 -0.29 0.00 -0.57 0.00 0.00 179.45 179.21 3ibf h PHE 101 N -0.66 0.46 -0.19 0.00 -1.00 -1.36 -0.52 116.94 113.67 3ibf h PHE 101 Ca -0.03 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.66 3ibf h PHE 101 Cb 0.57 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 3ibf h PHE 101 CO -0.14 0.57 0.05 -0.09 -1.61 0.00 0.00 178.31 177.10 3ibf h ARG 102 N 0.40 0.30 0.00 1.51 9.65 -1.14 -0.10 114.38 124.99 3ibf h ARG 102 Ca 0.07 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3ibf h ARG 102 Cb 0.51 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.05 3ibf h ARG 102 CO 0.03 0.42 -0.01 1.03 2.80 0.00 0.00 179.97 184.24 3ibf h SER 103 N 0.13 0.00 1.32 -3.80 0.87 -0.04 0.05 113.55 112.07 3ibf h SER 103 Ca 0.06 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.48 3ibf h SER 103 Cb 0.25 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 3ibf h SER 103 CO -0.00 0.01 -0.68 -0.07 -0.53 0.00 0.00 176.83 175.55 3ibf h LEU 104 N 0.00 0.00 0.00 2.23 3.38 -0.69 -3.47 115.31 116.76 3ibf h LEU 104 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ibf h LEU 104 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3ibf h LEU 104 CO 0.00 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.81 3ibf n GLY 105 N 1.27 0.64 3.79 0.83 0.00 0.00 -5.04 105.19 106.68 3ibf n GLY 105 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3ibf n GLY 105 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ibf s PHE 106 N -1.41 3.56 -0.99 1.61 0.08 -0.09 -4.09 117.98 116.65 3ibf s PHE 106 Ca 0.00 1.73 -0.15 0.00 0.12 0.00 0.00 56.93 58.64 3ibf s PHE 106 Cb 0.00 -2.96 0.19 0.00 -0.57 0.00 0.00 43.02 39.68 3ibf s PHE 106 CO 0.00 -0.01 1.08 -0.51 -0.10 0.00 0.00 175.22 175.69 3ibf s ASP 107 N -1.66 6.88 0.09 1.36 1.01 -0.55 -4.26 116.67 119.55 3ibf s ASP 107 Ca 0.53 -2.69 -0.18 0.00 0.71 0.00 0.00 52.55 50.92 3ibf s ASP 107 Cb -0.18 -2.31 -0.07 0.00 1.01 0.00 0.00 42.92 41.37 3ibf s ASP 107 CO 0.24 -0.72 0.56 0.54 0.21 0.00 0.00 175.17 176.00 3ibf s VAL 108 N 1.05 4.77 -0.03 -1.27 0.11 -1.26 -2.26 120.40 121.51 3ibf s VAL 108 Ca 0.30 1.11 0.03 0.00 -2.93 0.00 0.00 61.98 60.49 3ibf s VAL 108 Cb -0.07 -3.85 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 3ibf s VAL 108 CO -0.07 0.47 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.43 3ibf s ILE 109 N -1.21 0.90 -0.22 7.04 1.01 -0.53 -4.96 121.20 123.22 3ibf s ILE 109 Ca 0.31 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.49 3ibf s ILE 109 Cb -0.18 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 3ibf s ILE 109 CO 0.19 0.28 0.04 -0.69 0.00 0.00 0.00 174.94 174.76 3ibf s VAL 110 N 0.24 4.22 -0.14 2.92 1.01 -1.26 -1.41 120.40 125.97 3ibf s VAL 110 Ca -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 3ibf s VAL 110 Cb -0.10 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3ibf s VAL 110 CO 0.01 0.39 -0.04 -0.31 0.00 0.00 0.00 175.10 175.16 3ibf s TYR 111 N 1.20 3.03 0.11 5.22 2.02 0.14 -4.99 117.35 124.08 3ibf s TYR 111 Ca 0.04 -0.23 0.04 0.00 -0.37 0.00 0.00 57.07 56.55 3ibf s TYR 111 Cb -0.14 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 3ibf s TYR 111 CO 0.02 0.04 0.10 -0.80 -1.57 0.00 0.00 175.55 173.34 3ibf s ASN 112 N 0.17 5.50 -0.65 2.29 0.01 -1.26 -0.68 114.94 120.32 3ibf s ASN 112 Ca -0.02 -0.06 -0.14 0.00 -0.71 0.00 0.00 52.86 51.93 3ibf s ASN 112 Cb -0.14 -1.45 0.02 0.00 0.41 0.00 0.00 41.25 40.09 3ibf s ASN 112 CO 0.03 0.13 0.39 0.47 -1.51 0.00 0.00 177.10 176.61 3ibf n ASP 113 N 0.16 -2.56 -4.82 -1.22 8.00 -0.93 -4.88 116.55 110.30 3ibf n ASP 113 Ca -0.09 -0.72 -0.34 0.00 0.71 0.00 0.00 54.79 54.36 3ibf n ASP 113 Cb 0.53 -0.94 -0.07 0.00 -0.02 0.00 0.00 41.12 40.62 3ibf n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ibf s SER 115 N -2.04 4.46 0.34 0.00 1.04 -1.26 -1.54 113.70 114.70 3ibf s SER 115 Ca 0.55 0.31 0.10 0.00 0.48 0.00 0.00 55.95 57.39 3ibf s SER 115 Cb -0.12 -0.81 0.62 0.00 0.10 0.00 0.00 66.02 65.81 3ibf s SER 115 CO 0.17 -1.83 1.79 0.00 0.98 0.00 0.00 173.24 174.35 3ibf h ALA 117 N 1.53 0.37 -0.32 0.00 0.00 -1.99 -2.50 119.26 116.35 3ibf h ALA 117 Ca 0.01 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 3ibf h ALA 117 Cb 0.69 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3ibf h ALA 117 CO 0.05 0.71 0.20 -0.22 0.00 0.00 0.00 179.25 179.99 3ibf h LYS 118 N 0.46 0.44 -0.61 0.00 1.63 -1.84 0.32 116.57 116.97 3ibf h LYS 118 Ca -0.05 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.64 3ibf h LYS 118 Cb 1.41 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.92 3ibf h LYS 118 CO 0.16 0.33 0.10 0.52 -3.45 0.00 0.00 179.45 177.10 3ibf h MET 119 N 0.42 0.99 -0.60 1.90 2.86 -1.34 0.98 114.93 120.15 3ibf h MET 119 Ca 0.12 -0.25 -0.09 0.00 -2.06 0.00 0.00 59.70 57.42 3ibf h MET 119 Cb -0.00 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 3ibf h MET 119 CO -0.02 0.91 0.02 1.96 1.06 0.00 0.00 176.91 180.84 3ibf h GLN 120 N 0.93 1.03 -0.15 1.72 1.08 -1.09 -1.72 115.11 116.92 3ibf h GLN 120 Ca 0.19 -0.31 -0.04 0.00 -1.45 0.00 0.00 58.65 57.04 3ibf h GLN 120 Cb 0.40 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3ibf h GLN 120 CO 0.01 0.99 -0.08 0.22 -0.95 0.00 0.00 178.83 179.02 3ibf h ASP 121 N 0.95 0.33 -0.37 1.46 3.58 -0.52 0.69 116.42 122.53 3ibf h ASP 121 Ca 0.18 -0.43 0.07 0.00 0.42 0.00 0.00 57.03 57.27 3ibf h ASP 121 Cb 0.52 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.41 3ibf h ASP 121 CO 0.02 0.68 -0.03 -0.07 -2.88 0.00 0.00 179.24 176.97 3ibf h LEU 122 N -0.03 -0.21 -0.65 2.28 4.07 -0.72 0.22 115.31 120.26 3ibf h LEU 122 Ca 0.03 0.09 -0.15 0.00 0.08 0.00 0.00 57.88 57.94 3ibf h LEU 122 Cb 0.57 0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 3ibf h LEU 122 CO 0.02 -0.07 -0.64 -0.07 -1.08 0.00 0.00 178.44 176.61 3ibf h LEU 123 N 0.07 0.15 -0.02 1.67 -0.00 -1.28 -1.39 115.31 114.52 3ibf h LEU 123 Ca 0.18 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 3ibf h LEU 123 Cb 0.26 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 40.88 3ibf h LEU 123 CO -0.33 0.75 -0.03 0.50 -0.00 0.00 0.00 178.44 179.34 3ibf h LYS 124 N 0.10 0.06 -0.12 1.13 3.64 -0.23 -2.12 116.57 119.02 3ibf h LYS 124 Ca -0.01 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3ibf h LYS 124 Cb 1.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3ibf h LYS 124 CO 0.09 0.54 0.06 0.87 -2.27 0.00 0.00 179.45 178.74 3ibf h LYS 125 N -0.42 0.12 -0.76 1.90 1.79 -0.61 -1.79 116.57 116.79 3ibf h LYS 125 Ca 0.00 -0.01 0.14 0.00 -2.18 0.00 0.00 60.65 58.60 3ibf h LYS 125 Cb 0.53 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.10 3ibf h LYS 125 CO 0.01 0.08 0.51 0.00 -1.08 0.00 0.00 179.45 178.96 3ibf h ALA 126 N 1.06 2.01 0.00 3.86 0.00 -1.27 0.30 119.26 125.22 3ibf h ALA 126 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ibf h ALA 126 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ibf h ALA 126 CO -0.04 -0.21 0.00 0.66 0.00 0.00 0.00 179.25 179.67 3ibf h SER 127 N 0.50 0.00 0.33 0.00 4.64 -0.64 -3.08 113.55 115.30 3ibf h SER 127 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3ibf h SER 127 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3ibf h SER 127 CO -0.13 0.00 -0.56 -0.62 -0.87 0.00 0.00 176.83 174.65 3ibf n GLU 128 N -2.76 0.19 -1.04 4.77 1.02 0.10 -4.72 120.64 118.21 3ibf n GLU 128 Ca 0.04 -0.13 -0.29 0.00 -0.02 0.00 0.00 57.16 56.75 3ibf n GLU 128 Cb 0.42 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.57 3ibf n GLU 128 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3ibf s GLU 129 N -2.89 -0.76 -0.41 3.49 2.02 -0.81 -4.99 118.70 114.34 3ibf s GLU 129 Ca 0.13 0.19 -0.13 0.00 0.02 0.00 0.00 54.97 55.18 3ibf s GLU 129 Cb 0.17 -1.63 0.04 0.00 0.10 0.00 0.00 34.13 32.82 3ibf s GLU 129 CO 0.70 -3.46 0.27 0.34 0.02 0.00 0.00 175.26 173.13 3ibf s ASP 130 N -3.62 5.91 -0.17 -0.19 3.68 -1.26 -4.90 116.67 116.12 3ibf s ASP 130 Ca 0.69 -1.07 0.16 0.00 2.13 0.00 0.00 52.55 54.46 3ibf s ASP 130 Cb -0.14 -2.09 0.78 0.00 -1.45 0.00 0.00 42.92 40.02 3ibf s ASP 130 CO 0.57 -0.46 1.69 1.41 0.13 0.00 0.00 175.17 178.51 3ibf n HIS 131 N 5.07 1.79 -0.34 -5.34 8.25 -1.26 -4.61 115.22 118.78 3ibf n HIS 131 Ca -0.11 -0.66 0.17 0.00 -0.26 0.00 0.00 57.72 56.86 3ibf n HIS 131 Cb 0.46 -0.37 0.40 0.00 1.12 0.00 0.00 29.99 31.59 3ibf n HIS 131 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3ibf h THR 132 N 4.10 0.60 -0.59 1.59 2.02 -1.92 0.15 112.91 118.86 3ibf h THR 132 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3ibf h THR 132 Cb 1.71 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3ibf h THR 132 CO 0.36 0.11 0.00 0.59 0.37 0.00 0.00 175.52 176.95 3ibf n ASN 133 N -4.76 4.64 -4.80 4.18 3.02 -1.26 -4.91 115.26 111.37 3ibf n ASN 133 Ca 0.25 -2.50 -0.34 0.00 -0.03 0.00 0.00 54.58 51.96 3ibf n ASN 133 Cb 0.71 -0.58 -0.07 0.00 -0.61 0.00 0.00 39.78 39.23 3ibf n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ibf s ALA 134 N -1.99 3.64 0.05 5.41 0.00 0.53 -1.16 121.76 128.25 3ibf s ALA 134 Ca 0.48 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.70 3ibf s ALA 134 Cb 0.32 -1.67 -0.23 0.00 0.00 0.00 0.00 23.12 21.54 3ibf s ALA 134 CO 0.21 0.67 1.02 0.00 0.00 0.00 0.00 175.76 177.66 3ibf h ALA 135 N 4.33 0.46 -2.34 0.00 0.00 -0.82 -3.48 119.26 117.40 3ibf h ALA 135 Ca -0.50 -1.11 0.04 0.00 0.00 0.00 0.00 54.91 53.33 3ibf h ALA 135 Cb 1.19 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3ibf h ALA 135 CO 0.62 1.33 0.25 0.00 0.00 0.00 0.00 179.25 181.44 3ibf s PHE 137 N -4.42 0.50 0.01 0.00 5.36 -0.81 -3.73 117.98 114.89 3ibf s PHE 137 Ca 0.11 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 55.79 3ibf s PHE 137 Cb -0.02 -0.31 -0.01 0.00 -0.34 0.00 0.00 43.02 42.34 3ibf s PHE 137 CO 0.05 -0.06 -0.02 0.00 -1.46 0.00 0.00 175.22 173.73 3ibf s ALA 138 N -0.76 0.15 -0.01 11.12 0.00 -0.56 -0.71 121.76 130.99 3ibf s ALA 138 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3ibf s ALA 138 Cb -0.06 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.10 3ibf s ALA 138 CO 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 175.76 175.72 3ibf s ILE 140 N 0.28 1.42 -0.24 0.00 1.01 0.77 -0.89 121.20 123.54 3ibf s ILE 140 Ca -0.02 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 3ibf s ILE 140 Cb -0.04 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 41.12 3ibf s ILE 140 CO -0.01 0.43 -0.06 -0.76 0.00 0.00 0.00 174.94 174.54 3ibf s LEU 141 N 1.22 3.12 -0.28 2.97 1.43 -0.35 0.06 118.68 126.85 3ibf s LEU 141 Ca -0.02 -0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 52.28 3ibf s LEU 141 Cb -0.14 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.43 3ibf s LEU 141 CO -0.05 -0.11 -0.00 -0.76 0.23 0.00 0.00 176.35 175.66 3ibf s LEU 142 N 1.36 3.57 0.00 1.79 1.43 0.02 -0.56 118.68 126.29 3ibf s LEU 142 Ca 0.02 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 3ibf s LEU 142 Cb -0.16 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.31 3ibf s LEU 142 CO -0.04 -0.18 0.00 -0.24 0.23 0.00 0.00 176.35 176.11 3ibf n SER 143 N 4.72 0.00 -4.85 2.29 2.88 -0.85 -1.21 113.62 116.60 3ibf n SER 143 Ca -0.15 -0.81 -0.34 0.00 -1.33 0.00 0.00 58.87 56.24 3ibf n SER 143 Cb 0.46 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.87 3ibf n SER 143 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3ibf s HIS 144 N -4.57 3.50 0.14 0.66 3.76 -1.26 -4.13 115.29 113.40 3ibf s HIS 144 Ca 0.00 1.03 -0.08 0.00 -0.15 0.00 0.00 55.06 55.87 3ibf s HIS 144 Cb 0.00 -2.37 -0.01 0.00 1.11 0.00 0.00 32.58 31.31 3ibf s HIS 144 CO 0.00 0.31 0.24 0.20 -0.85 0.00 0.00 174.74 174.64 3ibf s GLY 145 N -2.04 0.45 0.03 -2.22 0.00 -1.25 0.07 107.32 102.35 3ibf s GLY 145 Ca 0.44 -0.89 -0.05 0.00 0.00 0.00 0.00 44.72 44.22 3ibf s GLY 145 CO 0.20 -0.89 0.10 -0.54 0.00 0.00 0.00 173.10 171.97 3ibf s GLU 146 N -3.95 0.56 -0.37 2.90 0.41 -0.65 -4.00 118.70 113.61 3ibf s GLU 146 Ca 0.15 -0.70 -0.34 0.00 -0.41 0.00 0.00 54.97 53.67 3ibf s GLU 146 Cb 0.04 0.22 -0.15 0.00 -1.78 0.00 0.00 34.13 32.46 3ibf s GLU 146 CO -0.02 -0.14 1.23 -1.91 -0.49 0.00 0.00 175.26 173.93 3ibf n GLU 147 N 0.91 0.00 -0.82 1.61 4.07 -0.92 0.30 120.64 125.78 3ibf n GLU 147 Ca -0.20 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.90 3ibf n GLU 147 Cb 0.58 -1.11 0.00 0.00 -0.06 0.00 0.00 31.44 30.85 3ibf n GLU 147 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3ibf n ASN 148 N 3.27 -1.75 -3.99 4.31 3.02 -1.26 -4.97 115.26 113.88 3ibf n ASN 148 Ca 0.25 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.71 3ibf n ASN 148 Cb -0.04 -1.71 -0.10 0.00 -0.61 0.00 0.00 39.78 37.32 3ibf n ASN 148 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3ibf s VAL 149 N -1.98 0.14 0.15 2.41 -7.23 0.15 -2.56 120.40 111.48 3ibf s VAL 149 Ca 0.00 -1.14 0.11 0.00 -1.81 0.00 0.00 61.98 59.14 3ibf s VAL 149 Cb 0.00 -0.69 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 3ibf s VAL 149 CO 0.00 -0.63 -0.25 -0.51 -0.31 0.00 0.00 175.10 173.40 3ibf s ILE 150 N -2.26 2.35 -0.08 -0.62 2.07 0.34 -1.63 121.20 121.36 3ibf s ILE 150 Ca -0.08 -1.85 -0.22 0.00 -1.41 0.00 0.00 60.65 57.09 3ibf s ILE 150 Cb -0.04 -2.08 -0.04 0.00 0.13 0.00 0.00 42.46 40.44 3ibf s ILE 150 CO -0.04 0.01 0.63 -0.31 -1.91 0.00 0.00 174.94 173.32 3ibf s TYR 151 N -1.31 3.55 0.02 3.50 1.51 0.11 -0.70 117.35 124.03 3ibf s TYR 151 Ca 0.17 1.13 -0.00 0.00 -1.01 0.00 0.00 57.07 57.36 3ibf s TYR 151 Cb -0.09 -2.73 0.00 0.00 -0.11 0.00 0.00 41.96 39.04 3ibf s TYR 151 CO 0.08 0.11 0.03 0.41 -1.11 0.00 0.00 175.55 175.06 3ibf n GLY 152 N 3.17 0.62 0.05 0.71 0.00 0.71 -4.55 105.19 105.90 3ibf n GLY 152 Ca -0.03 -1.94 0.11 0.00 0.00 0.00 0.00 46.02 44.17 3ibf n GLY 152 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ibf n LYS 153 N -1.05 0.32 -0.10 1.61 2.85 -0.59 -3.99 118.16 117.21 3ibf n LYS 153 Ca 0.00 0.03 0.07 0.00 -1.05 0.00 0.00 58.31 57.36 3ibf n LYS 153 Cb 0.01 -1.64 0.12 0.00 -0.65 0.00 0.00 35.03 32.87 3ibf n LYS 153 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3ibf n ASP 154 N -2.07 2.61 0.00 -5.58 5.75 -1.26 -0.24 116.55 115.76 3ibf n ASP 154 Ca 0.02 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 3ibf n ASP 154 Cb 0.45 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 3ibf n ASP 154 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ibf n GLY 155 N 0.79 -0.53 3.16 6.12 0.00 -1.26 -4.92 105.19 108.55 3ibf n GLY 155 Ca 0.11 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 3ibf n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ibf s VAL 156 N -4.00 1.03 0.02 1.61 -7.23 -1.26 -0.21 120.40 110.36 3ibf s VAL 156 Ca 0.00 -1.26 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 3ibf s VAL 156 Cb 0.00 -1.01 -0.01 0.00 0.56 0.00 0.00 36.38 35.92 3ibf s VAL 156 CO 0.00 -0.24 -0.07 0.28 -0.31 0.00 0.00 175.10 174.76 3ibf s THR 157 N -1.27 0.53 0.15 5.32 -1.32 0.12 -4.89 115.64 114.29 3ibf s THR 157 Ca -0.03 -0.67 -0.31 0.00 -1.21 0.00 0.00 61.69 59.47 3ibf s THR 157 Cb -0.10 -0.52 -0.08 0.00 -1.51 0.00 0.00 72.50 70.29 3ibf s THR 157 CO 0.02 -0.11 1.34 -2.84 -2.21 0.00 0.00 174.62 170.81 3ibf s PRO 158 N -0.86 4.36 0.23 7.08 0.02 -1.26 -0.51 135.00 144.07 3ibf s PRO 158 Ca -0.03 2.04 -0.08 0.00 0.02 0.00 0.00 61.00 62.95 3ibf s PRO 158 Cb -0.06 -3.23 0.21 0.00 0.02 0.00 0.00 34.50 31.44 3ibf s PRO 158 CO 0.00 -0.33 1.87 0.82 -0.33 0.00 0.00 177.00 179.03 3ibf h ILE 159 N 4.02 1.25 -0.09 2.83 2.04 -1.83 -1.33 117.51 124.39 3ibf h ILE 159 Ca -0.43 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 64.90 3ibf h ILE 159 Cb 1.21 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3ibf h ILE 159 CO 0.81 0.26 0.11 0.50 0.00 0.00 0.00 178.15 179.83 3ibf h LYS 160 N 1.22 0.00 0.02 2.37 3.64 -1.92 -0.07 116.57 121.83 3ibf h LYS 160 Ca 0.32 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.49 3ibf h LYS 160 Cb -0.04 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3ibf h LYS 160 CO -0.06 0.00 -0.96 -0.44 -2.27 0.00 0.00 179.45 175.72 3ibf h ASP 161 N 0.00 0.13 -0.11 4.20 3.32 -1.63 -1.66 116.42 120.66 3ibf h ASP 161 Ca 0.04 -0.12 -0.20 0.00 0.02 0.00 0.00 57.03 56.78 3ibf h ASP 161 Cb 0.26 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.78 3ibf h ASP 161 CO -0.00 1.01 -0.70 -0.07 -1.72 0.00 0.00 179.24 177.76 3ibf h LEU 162 N 0.04 0.81 0.00 1.55 3.38 -0.93 -3.32 115.31 116.83 3ibf h LEU 162 Ca -0.04 -0.65 -0.17 0.00 0.09 0.00 0.00 57.88 57.12 3ibf h LEU 162 Cb 1.66 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 3ibf h LEU 162 CO 0.14 1.33 -0.84 0.71 0.09 0.00 0.00 178.44 179.87 3ibf h THR 163 N 0.34 1.23 -0.84 0.22 1.35 -1.43 -3.35 112.91 110.43 3ibf h THR 163 Ca -0.06 -2.78 0.19 0.00 -0.55 0.00 0.00 66.41 63.21 3ibf h THR 163 Cb 1.34 2.60 -0.06 0.00 -1.73 0.00 0.00 68.15 70.30 3ibf h THR 163 CO 0.14 0.70 0.57 0.00 -0.25 0.00 0.00 175.52 176.68 3ibf h ALA 164 N 1.24 2.26 -0.49 6.62 0.00 -1.40 -1.42 119.26 126.08 3ibf h ALA 164 Ca -0.03 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.03 3ibf h ALA 164 Cb 1.60 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 3ibf h ALA 164 CO 0.09 -0.52 0.43 0.45 0.00 0.00 0.00 179.25 179.71 3ibf h HIS 165 N 0.35 0.00 -0.40 0.00 3.86 -1.74 -1.45 115.15 115.77 3ibf h HIS 165 Ca 0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.64 3ibf h HIS 165 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 3ibf h HIS 165 CO -0.00 0.00 0.00 1.19 0.86 0.00 0.00 177.93 179.98 3ibf n PHE 166 N -4.00 0.53 -1.54 2.45 3.01 -0.53 -4.16 117.46 113.23 3ibf n PHE 166 Ca 0.09 -0.26 -0.36 0.00 1.01 0.00 0.00 57.45 57.92 3ibf n PHE 166 Cb 0.63 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.18 3ibf n PHE 166 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3ibf n ARG 167 N 1.05 0.80 -0.30 -1.08 1.74 -0.55 -4.59 116.66 113.73 3ibf n ARG 167 Ca 0.18 0.33 0.13 0.00 -0.77 0.00 0.00 57.85 57.72 3ibf n ARG 167 Cb 0.48 -2.36 0.28 0.00 -1.02 0.00 0.00 32.46 29.84 3ibf n ARG 167 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3ibf h GLY 168 N 0.14 1.32 -1.00 -0.13 0.00 -1.91 0.21 103.07 101.71 3ibf h GLY 168 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3ibf h GLY 168 CO 0.50 -0.37 0.00 2.09 0.00 0.00 0.00 176.54 178.76 3ibf n ASP 169 N -5.25 1.23 0.00 0.19 5.75 -1.26 -3.58 116.55 113.64 3ibf n ASP 169 Ca 0.21 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 3ibf n ASP 169 Cb 0.67 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 3ibf n ASP 169 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ibf n ARG 170 N -0.02 0.00 -2.95 0.11 1.74 0.69 -4.94 116.66 111.30 3ibf n ARG 170 Ca 0.03 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.99 3ibf n ARG 170 Cb 0.27 -0.46 -0.01 0.00 -1.02 0.00 0.00 32.46 31.24 3ibf n ARG 170 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ibf h LYS 172 N 4.69 0.54 0.00 0.00 1.79 -1.85 -2.10 116.57 119.64 3ibf h LYS 172 Ca 0.04 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3ibf h LYS 172 Cb 1.01 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 3ibf h LYS 172 CO 0.24 0.36 0.00 0.25 -1.08 0.00 0.00 179.45 179.22 3ibf n THR 173 N -4.56 0.39 0.45 -0.16 -2.24 -1.26 -2.43 114.28 104.47 3ibf n THR 173 Ca 0.19 0.10 0.06 0.00 -2.27 0.00 0.00 64.05 62.12 3ibf n THR 173 Cb 0.58 -0.73 0.05 0.00 -2.10 0.00 0.00 70.33 68.13 3ibf n THR 173 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ibf n LEU 174 N -1.35 1.98 -4.68 3.22 4.77 -0.80 -4.22 117.00 115.92 3ibf n LEU 174 Ca 0.09 -1.04 -0.46 0.00 -0.03 0.00 0.00 56.01 54.57 3ibf n LEU 174 Cb 0.20 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3ibf n LEU 174 CO 0.18 0.38 1.39 -0.11 -1.33 0.00 0.00 177.39 177.89 3ibf n LEU 175 N 0.63 3.49 -0.02 2.23 7.94 -1.02 -0.41 117.00 129.84 3ibf n LEU 175 Ca 0.07 1.01 -0.00 0.00 -1.11 0.00 0.00 56.01 55.98 3ibf n LEU 175 Cb 0.29 -1.44 -0.00 0.00 0.53 0.00 0.00 43.42 42.80 3ibf n LEU 175 CO 0.07 -0.07 -0.00 -0.62 -1.11 0.00 0.00 177.39 175.66 3ibf n GLU 176 N 5.30 -0.34 -4.20 1.96 1.02 -1.26 -5.03 120.64 118.09 3ibf n GLU 176 Ca 0.19 0.12 -0.29 0.00 -0.02 0.00 0.00 57.16 57.16 3ibf n GLU 176 Cb 0.31 -3.40 -0.09 0.00 -0.02 0.00 0.00 31.44 28.24 3ibf n GLU 176 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3ibf s LYS 177 N -0.46 2.27 0.32 3.49 1.02 0.45 -4.96 119.74 121.86 3ibf s LYS 177 Ca 0.00 -1.00 -0.28 0.00 0.02 0.00 0.00 55.97 54.70 3ibf s LYS 177 Cb 0.00 -2.36 -0.10 0.00 -0.52 0.00 0.00 37.83 34.85 3ibf s LYS 177 CO 0.00 0.50 1.17 -1.25 -0.92 0.00 0.00 175.35 174.85 3ibf s PRO 178 N -2.38 4.44 -0.23 -1.68 0.04 -1.26 -4.94 135.00 128.99 3ibf s PRO 178 Ca 0.24 1.92 0.01 0.00 0.04 0.00 0.00 61.00 63.20 3ibf s PRO 178 Cb -0.11 -3.04 0.06 0.00 0.04 0.00 0.00 34.50 31.45 3ibf s PRO 178 CO 0.16 -0.00 -0.07 0.15 0.04 0.00 0.00 177.00 177.27 3ibf s LYS 179 N -1.73 1.81 -0.13 4.56 1.02 -1.26 -1.92 119.74 122.09 3ibf s LYS 179 Ca 0.48 -1.04 -0.04 0.00 0.02 0.00 0.00 55.97 55.39 3ibf s LYS 179 Cb -0.34 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 3ibf s LYS 179 CO 0.43 -0.57 0.00 -0.51 -0.92 0.00 0.00 175.35 173.79 3ibf s LEU 180 N 1.33 3.52 -0.12 3.17 1.43 0.11 -5.01 118.68 123.12 3ibf s LEU 180 Ca -0.06 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3ibf s LEU 180 Cb -0.19 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.21 3ibf s LEU 180 CO -0.06 0.26 -0.12 -0.36 0.23 0.00 0.00 176.35 176.29 3ibf s PHE 181 N -0.15 1.86 -0.31 0.29 0.40 -1.26 -0.17 117.98 118.64 3ibf s PHE 181 Ca 0.05 -0.96 -0.05 0.00 -0.60 0.00 0.00 56.93 55.36 3ibf s PHE 181 Cb -0.13 -1.41 0.04 0.00 0.51 0.00 0.00 43.02 42.03 3ibf s PHE 181 CO 0.02 -0.56 0.06 -0.06 0.70 0.00 0.00 175.22 175.38 3ibf s PHE 182 N 1.41 3.23 -0.23 0.36 0.40 -0.07 -4.99 117.98 118.09 3ibf s PHE 182 Ca 0.02 -1.51 -0.05 0.00 -0.60 0.00 0.00 56.93 54.79 3ibf s PHE 182 Cb -0.13 -2.21 -0.01 0.00 0.51 0.00 0.00 43.02 41.18 3ibf s PHE 182 CO -0.07 -0.73 -0.01 0.42 0.70 0.00 0.00 175.22 175.53 3ibf s ILE 183 N 1.36 3.65 -0.71 0.64 1.09 -1.26 -1.21 121.20 124.76 3ibf s ILE 183 Ca -0.02 -0.41 -0.01 0.00 -1.10 0.00 0.00 60.65 59.11 3ibf s ILE 183 Cb -0.19 -2.69 0.18 0.00 -1.06 0.00 0.00 42.46 38.70 3ibf s ILE 183 CO 0.01 0.39 0.54 -1.58 -0.10 0.00 0.00 174.94 174.20 3ibf s GLN 184 N 1.52 2.74 0.26 2.79 2.00 0.27 -4.99 119.66 124.26 3ibf s GLN 184 Ca 0.06 -2.87 -0.11 0.00 -2.00 0.00 0.00 55.36 50.44 3ibf s GLN 184 Cb -0.15 -3.74 -0.00 0.00 0.80 0.00 0.00 33.01 29.92 3ibf s GLN 184 CO -0.01 -1.21 0.46 0.00 -0.50 0.00 0.00 175.29 174.03 3ibf s ALA 185 N -0.65 -0.05 0.58 1.58 0.00 -1.26 -2.00 121.76 119.96 3ibf s ALA 185 Ca 0.21 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 3ibf s ALA 185 Cb -0.15 1.09 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 3ibf s ALA 185 CO -0.07 -0.83 0.97 0.00 0.00 0.00 0.00 175.76 175.83 3ibf n ARG 187 N -2.48 -0.22 -3.22 0.00 1.74 -1.26 -2.44 116.66 108.77 3ibf n ARG 187 Ca 0.05 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 3ibf n ARG 187 Cb 0.54 -0.73 0.00 0.00 -1.02 0.00 0.00 32.46 31.25 3ibf n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ibf n GLY 188 N 0.04 -1.28 0.10 -0.13 0.00 -1.26 -2.17 105.19 100.50 3ibf n GLY 188 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 46.02 45.14 3ibf n GLY 188 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ibf n THR 189 N 1.96 0.00 -2.14 2.61 -2.24 -1.26 -5.00 114.28 108.21 3ibf n THR 189 Ca 0.00 -0.47 -0.37 0.00 -2.27 0.00 0.00 64.05 60.94 3ibf n THR 189 Cb 0.00 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 3ibf n THR 189 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ibf s GLU 190 N -0.69 3.59 -0.04 -0.78 2.02 -1.26 -5.03 118.70 116.52 3ibf s GLU 190 Ca 0.04 1.88 0.04 0.00 0.02 0.00 0.00 54.97 56.95 3ibf s GLU 190 Cb 0.03 -2.36 -0.03 0.00 0.10 0.00 0.00 34.13 31.88 3ibf s GLU 190 CO 0.08 -0.72 -0.16 -0.51 0.02 0.00 0.00 175.26 173.98 3ibf s LEU 191 N -3.17 2.66 -0.46 1.80 1.43 -1.26 -5.09 118.68 114.59 3ibf s LEU 191 Ca 0.66 -0.24 -0.22 0.00 -1.03 0.00 0.00 54.13 53.30 3ibf s LEU 191 Cb -0.31 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.40 3ibf s LEU 191 CO 0.37 0.34 0.75 -0.62 0.23 0.00 0.00 176.35 177.43 3ibf s ASP 192 N -0.77 6.37 0.36 2.29 -1.08 -1.26 -4.92 116.67 117.65 3ibf s ASP 192 Ca 0.12 -0.26 0.18 0.00 -0.52 0.00 0.00 52.55 52.07 3ibf s ASP 192 Cb -0.11 -2.37 0.58 0.00 -1.46 0.00 0.00 42.92 39.57 3ibf s ASP 192 CO 0.01 -0.92 1.69 0.44 0.52 0.00 0.00 175.17 176.91 3ibf h ASP 193 N 8.99 0.00 -4.38 -0.34 3.32 -2.05 -3.49 116.42 118.47 3ibf h ASP 193 Ca -0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3ibf h ASP 193 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3ibf h ASP 193 CO 0.96 0.41 0.00 0.61 -1.72 0.00 0.00 179.24 179.49 3ibf n GLY 194 N 0.38 -3.04 3.47 2.75 0.00 -1.26 -5.06 105.19 102.43 3ibf n GLY 194 Ca 0.00 -1.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 3ibf n GLY 194 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ibf s ILE 195 N -0.96 0.00 0.00 -0.61 1.10 -1.26 -5.31 121.20 114.17 3ibf s ILE 195 Ca 0.00 -0.04 0.00 0.00 -0.51 0.00 0.00 60.65 60.10 3ibf s ILE 195 Cb 0.00 -0.99 0.00 0.00 0.15 0.00 0.00 42.46 41.62 3ibf s ILE 195 CO 0.00 -0.02 0.00 0.00 -2.11 0.00 0.00 174.94 172.81