#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hf5 s GLU 47 N 0.00 3.75 0.34 0.00 2.56 -1.26 -4.93 118.70 119.16 2hf5 s GLU 47 Ca 0.00 0.34 0.09 0.00 0.00 0.00 0.00 54.97 55.40 2hf5 s GLU 47 Cb 0.00 -3.81 0.61 0.00 2.00 0.00 0.00 34.13 32.92 2hf5 s GLU 47 CO 0.00 -0.89 1.78 -0.07 -0.56 0.00 0.00 175.26 175.53 2hf5 h LEU 48 N 9.83 0.16 -1.37 2.70 3.38 -2.00 -2.08 115.31 125.94 2hf5 h LEU 48 Ca -0.24 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 2hf5 h LEU 48 Cb 1.09 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2hf5 h LEU 48 CO 0.93 0.50 0.19 -0.61 0.09 0.00 0.00 178.44 179.53 2hf5 h GLN 49 N 0.14 0.61 0.34 1.13 5.75 -1.98 0.32 115.11 121.43 2hf5 h GLN 49 Ca 0.02 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 2hf5 h GLN 49 Cb 0.67 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.11 2hf5 h GLN 49 CO 0.05 0.50 -0.16 0.22 -2.65 0.00 0.00 178.83 176.79 2hf5 h ASP 50 N 0.61 -0.39 -0.59 -0.69 3.58 -1.79 0.33 116.42 117.48 2hf5 h ASP 50 Ca 0.15 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.50 2hf5 h ASP 50 Cb 0.11 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 2hf5 h ASP 50 CO -0.02 -0.26 -0.02 -0.03 -2.88 0.00 0.00 179.24 176.03 2hf5 h MET 51 N -0.47 1.06 -0.47 0.28 4.05 -1.32 -1.40 114.93 116.67 2hf5 h MET 51 Ca -0.05 -0.35 0.01 0.00 -0.28 0.00 0.00 59.70 59.04 2hf5 h MET 51 Cb 0.36 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.04 2hf5 h MET 51 CO 0.08 1.05 0.30 0.82 0.23 0.00 0.00 176.91 179.38 2hf5 h ILE 52 N 0.97 1.09 0.00 1.77 2.04 -0.17 0.04 117.51 123.25 2hf5 h ILE 52 Ca 0.17 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 2hf5 h ILE 52 Cb 0.58 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2hf5 h ILE 52 CO 0.03 0.11 -0.33 -1.13 0.00 0.00 0.00 178.15 176.84 2hf5 h ASN 53 N 0.61 0.00 0.32 1.72 -1.24 -0.12 0.16 115.58 117.04 2hf5 h ASN 53 Ca 0.18 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.86 2hf5 h ASN 53 Cb -0.04 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.03 2hf5 h ASN 53 CO -0.06 0.33 -1.51 -0.08 -1.29 0.00 0.00 177.43 174.82 2hf5 h GLU 54 N 0.00 0.45 0.00 6.67 4.81 -0.92 -3.33 114.58 122.25 2hf5 h GLU 54 Ca -0.00 -0.76 -0.18 0.00 -0.13 0.00 0.00 59.36 58.28 2hf5 h GLU 54 Cb 0.96 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 2hf5 h GLU 54 CO 0.04 1.36 -0.87 0.28 -0.73 0.00 0.00 179.01 179.09 2hf5 h VAL 55 N 0.12 1.61 -1.48 0.32 2.07 -0.83 -3.42 116.25 114.63 2hf5 h VAL 55 Ca -0.26 -2.92 -0.59 0.00 0.82 0.00 0.00 66.70 63.75 2hf5 h VAL 55 Cb 2.12 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 34.46 2hf5 h VAL 55 CO 0.24 0.84 1.51 -0.67 0.02 0.00 0.00 177.57 179.51 2hf5 n ASP 56 N -3.53 2.50 -0.12 0.57 2.03 0.55 -4.81 116.55 113.74 2hf5 n ASP 56 Ca -0.01 0.12 -0.25 0.00 0.52 0.00 0.00 54.79 55.18 2hf5 n ASP 56 Cb 0.82 -1.43 -0.11 0.00 -0.72 0.00 0.00 41.12 39.69 2hf5 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hf5 n ALA 57 N 11.89 1.18 -0.01 -1.67 0.00 -1.26 -4.69 120.51 125.94 2hf5 n ALA 57 Ca 0.37 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2hf5 n ALA 57 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.72 2hf5 n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2hf5 n ASP 58 N -3.95 0.67 0.00 0.00 5.68 -1.26 -5.03 116.55 112.66 2hf5 n ASP 58 Ca -0.47 -0.84 0.00 0.00 -0.50 0.00 0.00 54.79 52.98 2hf5 n ASP 58 Cb 0.90 0.31 0.00 0.00 -1.14 0.00 0.00 41.12 41.19 2hf5 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hf5 n GLY 59 N 0.31 0.76 0.00 6.12 0.00 -1.26 -5.07 105.19 106.05 2hf5 n GLY 59 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2hf5 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hf5 n ASN 60 N 0.00 3.02 0.00 1.61 4.13 -1.26 -4.97 115.26 117.79 2hf5 n ASN 60 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2hf5 n ASN 60 Cb 0.00 0.46 0.00 0.00 -1.54 0.00 0.00 39.78 38.70 2hf5 n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2hf5 n GLY 61 N 1.74 0.44 3.78 7.41 0.00 -1.26 -4.90 105.19 112.40 2hf5 n GLY 61 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2hf5 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hf5 s THR 62 N -2.18 0.00 0.14 2.61 2.01 -1.26 -4.74 115.64 112.22 2hf5 s THR 62 Ca 0.00 -1.06 -0.14 0.00 0.31 0.00 0.00 61.69 60.80 2hf5 s THR 62 Cb 0.00 -2.01 -0.07 0.00 0.01 0.00 0.00 72.50 70.44 2hf5 s THR 62 CO 0.00 -0.00 0.54 -0.51 -0.69 0.00 0.00 174.62 173.96 2hf5 s ILE 63 N -3.94 4.87 0.43 1.82 2.07 0.74 -4.59 121.20 122.60 2hf5 s ILE 63 Ca 0.13 0.82 0.07 0.00 -1.41 0.00 0.00 60.65 60.26 2hf5 s ILE 63 Cb -0.05 -3.74 -0.03 0.00 0.13 0.00 0.00 42.46 38.78 2hf5 s ILE 63 CO 0.07 0.26 0.26 -0.62 -1.91 0.00 0.00 174.94 173.00 2hf5 s ASP 64 N -1.69 4.63 0.13 4.50 -1.08 -1.26 -3.12 116.67 118.78 2hf5 s ASP 64 Ca 0.37 -1.01 -0.24 0.00 -0.52 0.00 0.00 52.55 51.16 2hf5 s ASP 64 Cb -0.15 -0.40 -0.03 0.00 -1.46 0.00 0.00 42.92 40.89 2hf5 s ASP 64 CO 0.19 -0.64 1.65 -0.26 0.52 0.00 0.00 175.17 176.63 2hf5 h PHE 65 N 1.23 -0.56 -0.75 -5.34 0.04 -1.99 0.50 116.94 110.07 2hf5 h PHE 65 Ca -0.42 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.42 2hf5 h PHE 65 Cb 1.26 0.26 -0.05 0.00 2.20 0.00 0.00 35.95 39.62 2hf5 h PHE 65 CO 0.65 -0.29 0.46 -1.00 -0.60 0.00 0.00 178.31 177.53 2hf5 h PRO 66 N -0.29 0.86 -0.28 1.51 0.13 -1.99 -2.31 132.00 129.63 2hf5 h PRO 66 Ca 0.08 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 65.01 2hf5 h PRO 66 Cb 0.41 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.35 2hf5 h PRO 66 CO -0.25 0.57 -0.44 0.93 -0.23 0.00 0.00 178.00 178.58 2hf5 h GLU 67 N 0.88 0.79 -0.29 0.86 5.08 -1.80 -0.85 114.58 119.25 2hf5 h GLU 67 Ca 0.31 -0.48 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2hf5 h GLU 67 Cb 0.08 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2hf5 h GLU 67 CO -0.14 1.11 0.15 0.35 -1.00 0.00 0.00 179.01 179.48 2hf5 h PHE 68 N 0.54 0.29 -0.34 4.33 3.57 0.10 0.22 116.94 125.66 2hf5 h PHE 68 Ca 0.02 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 2hf5 h PHE 68 Cb 1.04 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2hf5 h PHE 68 CO 0.08 0.16 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.96 2hf5 h LEU 69 N 0.32 0.73 -0.06 0.59 3.38 -1.38 -2.13 115.31 116.76 2hf5 h LEU 69 Ca 0.12 -0.29 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 2hf5 h LEU 69 Cb 0.02 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.58 2hf5 h LEU 69 CO -0.07 0.98 -0.60 0.74 0.09 0.00 0.00 178.44 179.58 2hf5 h THR 70 N 0.61 1.38 -0.51 0.22 2.02 -0.80 0.58 112.91 116.40 2hf5 h THR 70 Ca 0.07 -1.96 0.02 0.00 0.77 0.00 0.00 66.41 65.32 2hf5 h THR 70 Cb 0.80 2.35 -0.03 0.00 -1.74 0.00 0.00 68.15 69.53 2hf5 h THR 70 CO 0.07 0.58 0.34 0.24 0.37 0.00 0.00 175.52 177.12 2hf5 h MET 71 N 0.08 0.59 0.08 6.66 2.86 -0.57 0.72 114.93 125.35 2hf5 h MET 71 Ca -0.06 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2hf5 h MET 71 Cb 1.27 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.79 2hf5 h MET 71 CO 0.12 0.39 -0.04 1.98 1.06 0.00 0.00 176.91 180.43 2hf5 h MET 72 N 0.61 -0.10 0.00 1.72 -1.53 -1.26 -3.27 114.93 111.10 2hf5 h MET 72 Ca 0.20 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.47 2hf5 h MET 72 Cb 0.05 0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.13 2hf5 h MET 72 CO -0.05 -0.07 0.21 0.00 0.14 0.00 0.00 176.91 177.14 2hf5 h ALA 73 N -1.88 1.15 -0.98 0.39 0.00 -0.63 0.18 119.26 117.49 2hf5 h ALA 73 Ca -0.01 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.13 2hf5 h ALA 73 Cb 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.69 2hf5 h ALA 73 CO 0.02 -0.15 -0.10 -0.09 0.00 0.00 0.00 179.25 178.93 2hf5 h ARG 74 N 0.00 0.00 0.00 0.00 2.43 0.41 -3.35 114.38 113.87 2hf5 h ARG 74 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2hf5 h ARG 74 Cb 0.42 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2hf5 h ARG 74 CO 0.00 0.00 -0.52 1.63 -1.51 0.00 0.00 179.97 179.57 2hf5 n LYS 75 N -5.55 0.00 -3.75 0.20 5.02 -0.97 -5.08 118.16 108.02 2hf5 n LYS 75 Ca 0.19 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.11 2hf5 n LYS 75 Cb 0.63 -0.69 -0.13 0.00 -0.02 0.00 0.00 35.03 34.82 2hf5 n LYS 75 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2hf5 s MET 76 N -1.59 3.38 -0.28 1.97 -1.94 0.01 -5.06 119.30 115.79 2hf5 s MET 76 Ca 0.00 -0.67 -0.06 0.00 -1.71 0.00 0.00 55.69 53.25 2hf5 s MET 76 Cb 0.00 -3.35 0.01 0.00 2.01 0.00 0.00 34.83 33.49 2hf5 s MET 76 CO 0.00 -0.32 0.05 0.15 -0.01 0.00 0.00 175.02 174.89 2hf5 s LYS 77 N 1.56 3.12 -0.45 2.03 -0.14 -1.26 -2.62 119.74 121.98 2hf5 s LYS 77 Ca 0.05 -0.82 0.03 0.00 -1.36 0.00 0.00 55.97 53.86 2hf5 s LYS 77 Cb -0.16 -3.29 0.20 0.00 -1.68 0.00 0.00 37.83 32.89 2hf5 s LYS 77 CO 0.03 -0.40 0.84 0.34 -0.76 0.00 0.00 175.35 175.40 2hf5 s ASP 78 N 1.48 -1.08 0.42 2.83 2.15 -1.26 -5.09 116.67 116.12 2hf5 s ASP 78 Ca 0.03 -1.21 0.07 0.00 0.43 0.00 0.00 52.55 51.86 2hf5 s ASP 78 Cb -0.17 1.41 -0.07 0.00 -0.30 0.00 0.00 42.92 43.79 2hf5 s ASP 78 CO 0.01 -0.05 0.03 -0.89 -0.17 0.00 0.00 175.17 174.11 2hf5 s THR 79 N 1.01 2.00 0.00 1.71 2.01 -1.26 -5.14 115.64 115.97 2hf5 s THR 79 Ca 0.27 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 60.31 2hf5 s THR 79 Cb 0.03 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 69.59 2hf5 s THR 79 CO -0.07 0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.33 2hf5 n ASP 80 N -1.03 0.11 -4.74 3.53 8.00 -1.26 -5.09 116.55 116.08 2hf5 n ASP 80 Ca -0.05 -0.89 -0.38 0.00 0.71 0.00 0.00 54.79 54.17 2hf5 n ASP 80 Cb 0.67 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.81 2hf5 n ASP 80 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2hf5 n SER 81 N -2.58 2.54 0.07 -2.24 2.88 -1.26 -4.82 113.62 108.21 2hf5 n SER 81 Ca 0.00 0.95 0.07 0.00 -1.33 0.00 0.00 58.87 58.56 2hf5 n SER 81 Cb 0.00 -1.57 0.51 0.00 -0.75 0.00 0.00 64.21 62.40 2hf5 n SER 81 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2hf5 h GLU 82 N 1.27 0.34 -0.59 -1.46 4.81 -1.99 0.07 114.58 117.04 2hf5 h GLU 82 Ca -0.51 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.64 2hf5 h GLU 82 Cb 1.31 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 2hf5 h GLU 82 CO 0.56 0.23 0.11 0.93 -0.73 0.00 0.00 179.01 180.11 2hf5 h GLU 83 N 0.35 0.93 -0.32 1.92 5.08 -2.00 -1.01 114.58 119.52 2hf5 h GLU 83 Ca 0.13 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2hf5 h GLU 83 Cb 0.08 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2hf5 h GLU 83 CO -0.03 0.85 -0.07 0.93 -1.00 0.00 0.00 179.01 179.69 2hf5 h GLU 84 N 0.88 0.53 -0.67 2.33 4.39 -1.38 -1.94 114.58 118.73 2hf5 h GLU 84 Ca 0.19 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 2hf5 h GLU 84 Cb 0.36 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 2hf5 h GLU 84 CO 0.00 0.62 0.24 0.82 -1.16 0.00 0.00 179.01 179.53 2hf5 h ILE 85 N 0.50 1.24 -0.63 3.13 1.08 -0.34 0.25 117.51 122.74 2hf5 h ILE 85 Ca 0.10 -0.78 -0.08 0.00 -0.39 0.00 0.00 64.86 63.71 2hf5 h ILE 85 Cb 0.44 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 2hf5 h ILE 85 CO 0.02 0.31 0.09 0.03 -0.69 0.00 0.00 178.15 177.91 2hf5 h ARG 86 N 0.98 1.05 -0.08 2.37 3.08 -0.63 0.12 114.38 121.27 2hf5 h ARG 86 Ca 0.22 -0.29 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 2hf5 h ARG 86 Cb 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2hf5 h ARG 86 CO -0.01 0.98 -0.38 1.49 -1.07 0.00 0.00 179.97 180.98 2hf5 h GLU 87 N 0.96 0.16 -0.38 0.04 4.81 -0.94 -2.06 114.58 117.17 2hf5 h GLU 87 Ca 0.19 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 2hf5 h GLU 87 Cb 0.45 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2hf5 h GLU 87 CO 0.01 0.52 -0.16 0.00 -0.73 0.00 0.00 179.01 178.66 2hf5 h ALA 88 N 1.47 1.01 -0.66 2.92 0.00 0.37 -1.31 119.26 123.07 2hf5 h ALA 88 Ca 0.01 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.68 2hf5 h ALA 88 Cb 0.74 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2hf5 h ALA 88 CO 0.06 0.59 0.43 0.74 0.00 0.00 0.00 179.25 181.07 2hf5 h PHE 89 N 0.63 0.60 -0.01 0.00 -1.00 -0.10 0.73 116.94 117.80 2hf5 h PHE 89 Ca 0.10 0.02 -0.16 0.00 2.81 0.00 0.00 57.97 60.74 2hf5 h PHE 89 Cb 0.62 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 2hf5 h PHE 89 CO 0.03 0.30 -0.75 0.00 -1.61 0.00 0.00 178.31 176.29 2hf5 h ARG 90 N 0.58 0.06 0.12 1.51 3.08 -0.94 -3.32 114.38 115.47 2hf5 h ARG 90 Ca 0.29 -0.06 -0.21 0.00 0.07 0.00 0.00 59.98 60.07 2hf5 h ARG 90 Cb 0.39 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.47 2hf5 h ARG 90 CO -0.09 0.78 -1.02 0.28 -1.07 0.00 0.00 179.97 178.84 2hf5 h VAL 91 N 0.04 1.32 0.00 2.04 2.07 -0.09 -3.34 116.25 118.29 2hf5 h VAL 91 Ca -0.01 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.04 2hf5 h VAL 91 Cb 1.31 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 34.07 2hf5 h VAL 91 CO 0.10 0.69 0.00 0.49 0.02 0.00 0.00 177.57 178.87 2hf5 n PHE 92 N -4.08 0.00 -4.87 1.57 3.72 0.24 -4.68 117.46 109.36 2hf5 n PHE 92 Ca -0.19 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 56.94 2hf5 n PHE 92 Cb 0.83 -0.06 -0.15 0.00 -0.94 0.00 0.00 39.48 39.16 2hf5 n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2hf5 s ASP 93 N -0.42 2.56 0.12 4.37 -1.08 -1.25 -2.66 116.67 118.31 2hf5 s ASP 93 Ca 0.00 -0.46 -0.16 0.00 -0.52 0.00 0.00 52.55 51.41 2hf5 s ASP 93 Cb 0.00 -0.25 -0.02 0.00 -1.46 0.00 0.00 42.92 41.19 2hf5 s ASP 93 CO 0.00 0.22 1.60 0.11 0.52 0.00 0.00 175.17 177.62 2hf5 h LYS 94 N 5.21 0.64 -0.02 4.34 1.57 -1.84 -3.23 116.57 123.24 2hf5 h LYS 94 Ca -0.42 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 2hf5 h LYS 94 Cb 1.15 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2hf5 h LYS 94 CO 0.46 0.70 -0.01 -0.40 -0.57 0.00 0.00 179.45 179.63 2hf5 n ASP 95 N -4.53 2.41 -4.03 0.86 5.68 -1.26 -5.00 116.55 110.68 2hf5 n ASP 95 Ca -0.01 -1.70 -0.30 0.00 -0.50 0.00 0.00 54.79 52.28 2hf5 n ASP 95 Cb 0.24 0.01 -0.01 0.00 -1.14 0.00 0.00 41.12 40.21 2hf5 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hf5 n GLY 96 N 0.97 -0.36 0.27 6.12 0.00 -1.22 -4.85 105.19 106.12 2hf5 n GLY 96 Ca 0.10 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2hf5 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hf5 n ASN 97 N -2.84 0.45 0.00 1.61 6.94 -1.26 -4.79 115.26 115.37 2hf5 n ASN 97 Ca -0.11 -1.64 0.00 0.00 -0.02 0.00 0.00 54.58 52.81 2hf5 n ASN 97 Cb 0.59 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 2hf5 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2hf5 n GLY 98 N 0.19 0.50 3.35 4.83 0.00 -1.26 -5.03 105.19 107.77 2hf5 n GLY 98 Ca 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 2hf5 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hf5 s TYR 99 N -2.00 -0.33 -0.35 1.61 2.02 -1.25 -4.88 117.35 112.17 2hf5 s TYR 99 Ca 0.00 0.34 0.01 0.00 -0.37 0.00 0.00 57.07 57.05 2hf5 s TYR 99 Cb 0.00 0.26 0.09 0.00 -0.40 0.00 0.00 41.96 41.91 2hf5 s TYR 99 CO 0.00 -0.59 0.09 0.42 -1.57 0.00 0.00 175.55 173.90 2hf5 s ILE 100 N -2.36 2.73 0.37 2.71 1.01 -1.18 -4.57 121.20 119.92 2hf5 s ILE 100 Ca -0.06 -2.06 -0.01 0.00 0.00 0.00 0.00 60.65 58.52 2hf5 s ILE 100 Cb -0.01 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 2hf5 s ILE 100 CO -0.01 -0.52 0.60 -0.44 0.00 0.00 0.00 174.94 174.57 2hf5 s SER 101 N 1.30 6.30 0.15 3.58 0.01 -1.26 -0.19 113.70 123.60 2hf5 s SER 101 Ca 0.06 0.59 -0.19 0.00 1.31 0.00 0.00 55.95 57.72 2hf5 s SER 101 Cb -0.21 -2.10 0.04 0.00 0.21 0.00 0.00 66.02 63.97 2hf5 s SER 101 CO -0.05 -0.35 1.67 0.00 0.41 0.00 0.00 173.24 174.91 2hf5 h ALA 102 N 0.73 0.11 -0.43 1.44 0.00 -1.88 0.54 119.26 119.77 2hf5 h ALA 102 Ca -0.49 0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.62 2hf5 h ALA 102 Cb 1.21 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 19.23 2hf5 h ALA 102 CO 0.62 -0.52 -0.13 0.00 0.00 0.00 0.00 179.25 179.21 2hf5 h ALA 103 N 1.16 0.24 -0.25 0.00 0.00 -1.95 0.15 119.26 118.61 2hf5 h ALA 103 Ca 0.15 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.24 2hf5 h ALA 103 Cb 0.31 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2hf5 h ALA 103 CO -0.34 -0.48 0.13 0.93 0.00 0.00 0.00 179.25 179.49 2hf5 h GLU 104 N -0.03 0.26 -0.73 0.00 4.39 -1.57 -2.54 114.58 114.36 2hf5 h GLU 104 Ca 0.21 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.91 2hf5 h GLU 104 Cb 0.35 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 2hf5 h GLU 104 CO -0.46 0.17 0.47 1.25 -1.16 0.00 0.00 179.01 179.28 2hf5 h LEU 105 N 0.27 0.79 -0.43 1.33 5.85 0.82 -2.27 115.31 121.66 2hf5 h LEU 105 Ca 0.10 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 2hf5 h LEU 105 Cb 0.03 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2hf5 h LEU 105 CO -0.07 0.56 -0.12 0.08 -0.34 0.00 0.00 178.44 178.55 2hf5 h ARG 106 N 0.93 0.84 -0.68 1.25 0.11 -0.48 1.03 114.38 117.39 2hf5 h ARG 106 Ca 0.28 -0.33 0.14 0.00 0.10 0.00 0.00 59.98 60.17 2hf5 h ARG 106 Cb -0.04 -0.05 -0.10 0.00 1.11 0.00 0.00 29.97 30.90 2hf5 h ARG 106 CO -0.09 0.96 0.17 1.25 0.10 0.00 0.00 179.97 182.36 2hf5 h HIS 107 N 0.67 0.26 0.10 4.08 2.76 -1.02 0.43 115.15 122.44 2hf5 h HIS 107 Ca 0.11 0.04 -0.30 0.00 -2.20 0.00 0.00 60.37 58.02 2hf5 h HIS 107 Cb 0.65 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 2hf5 h HIS 107 CO 0.05 -0.04 -1.59 0.28 -1.30 0.00 0.00 177.93 175.33 2hf5 h VAL 108 N 0.28 0.87 0.00 5.26 2.07 -0.88 -2.82 116.25 121.03 2hf5 h VAL 108 Ca 0.37 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.54 2hf5 h VAL 108 Cb 0.58 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2hf5 h VAL 108 CO -0.45 0.70 0.00 0.80 0.02 0.00 0.00 177.57 178.64 2hf5 n MET 109 N -3.86 0.00 0.00 1.57 0.00 0.35 -4.84 117.12 110.35 2hf5 n MET 109 Ca -0.29 0.43 0.00 0.00 0.00 0.00 0.00 57.70 57.85 2hf5 n MET 109 Cb 0.92 -1.18 0.00 0.00 0.00 0.00 0.00 33.22 32.95 2hf5 n MET 109 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2hf5 n THR 110 N -1.80 0.00 -1.24 1.12 5.66 -1.12 -5.05 114.28 111.85 2hf5 n THR 110 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 2hf5 n THR 110 Cb 0.00 -0.40 0.05 0.00 -1.55 0.00 0.00 70.33 68.43 2hf5 n THR 110 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2hf5 n ASN 111 N -2.29 0.03 -4.70 1.09 2.85 0.15 -4.93 115.26 107.47 2hf5 n ASN 111 Ca 0.00 -1.12 -0.42 0.00 -0.11 0.00 0.00 54.58 52.93 2hf5 n ASN 111 Cb 0.39 -0.24 -0.03 0.00 1.24 0.00 0.00 39.78 41.14 2hf5 n ASN 111 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2hf5 n LEU 112 N 0.00 4.07 0.00 1.20 4.77 -1.26 -4.52 117.00 121.26 2hf5 n LEU 112 Ca 0.04 1.00 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 2hf5 n LEU 112 Cb 0.14 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.67 2hf5 n LEU 112 CO 0.10 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.96