#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 3.46 0.00 0.00 8.01 -1.26 -4.85 118.70 124.06 2hf5 s GLU 47 Ca 0.00 -1.09 0.16 0.00 0.01 0.00 0.00 54.97 54.05 2hf5 s GLU 47 Cb 0.00 -4.89 0.95 0.00 -4.31 0.00 0.00 34.13 25.88 2hf5 s GLU 47 CO 0.00 -2.04 1.37 1.28 0.01 0.00 0.00 175.26 175.88 2hf5 n LEU 48 N 8.22 0.00 -0.11 1.80 7.99 -1.26 -2.62 117.00 131.02 2hf5 n LEU 48 Ca 0.21 0.00 0.06 0.00 -0.01 0.00 0.00 56.01 56.27 2hf5 n LEU 48 Cb 0.49 0.00 0.39 0.00 -0.11 0.00 0.00 43.42 44.20 2hf5 n LEU 48 CO 0.63 0.00 1.20 -0.61 -1.51 0.00 0.00 177.39 177.09 2hf5 h GLN 49 N 0.00 0.63 -0.12 3.23 4.15 -1.98 0.68 115.11 121.72 2hf5 h GLN 49 Ca 0.00 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.41 2hf5 h GLN 49 Cb 0.00 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.51 2hf5 h GLN 49 CO 0.00 0.42 -0.09 0.22 -1.93 0.00 0.00 178.83 177.45 2hf5 h ASP 50 N 0.65 -0.29 0.12 -0.69 1.82 -1.93 -0.68 116.42 115.42 2hf5 h ASP 50 Ca 0.26 0.06 -0.04 0.00 -0.39 0.00 0.00 57.03 56.92 2hf5 h ASP 50 Cb 0.19 0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.35 2hf5 h ASP 50 CO -0.07 -0.13 -0.15 -0.03 -1.61 0.00 0.00 179.24 177.24 2hf5 h MET 51 N -0.11 0.08 -0.50 0.28 4.05 -1.45 -1.56 114.93 115.72 2hf5 h MET 51 Ca 0.08 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.44 2hf5 h MET 51 Cb 0.22 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 2hf5 h MET 51 CO -0.18 0.24 0.17 0.82 0.23 0.00 0.00 176.91 178.20 2hf5 h ILE 52 N 0.08 1.22 0.00 1.77 2.04 0.06 -0.38 117.51 122.30 2hf5 h ILE 52 Ca 0.02 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 2hf5 h ILE 52 Cb 0.33 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2hf5 h ILE 52 CO 0.02 0.27 -0.11 0.78 0.00 0.00 0.00 178.15 179.11 2hf5 h ASN 53 N 0.67 0.00 0.62 1.72 -0.26 -0.19 0.10 115.58 118.24 2hf5 h ASN 53 Ca 0.16 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.68 2hf5 h ASN 53 Cb 0.24 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.46 2hf5 h ASN 53 CO -0.01 0.11 -1.53 -0.33 -1.06 0.00 0.00 177.43 174.61 2hf5 h GLU 54 N 0.00 0.00 0.03 0.81 4.39 -1.05 -3.39 114.58 115.37 2hf5 h GLU 54 Ca -0.00 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 2hf5 h GLU 54 Cb 0.54 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 2hf5 h GLU 54 CO 0.01 0.39 -1.85 0.28 -1.16 0.00 0.00 179.01 176.68 2hf5 n VAL 55 N -2.97 1.64 -1.62 3.13 0.31 -0.18 -4.87 118.33 113.77 2hf5 n VAL 55 Ca -0.13 -0.76 -0.46 0.00 -0.01 0.00 0.00 64.34 62.98 2hf5 n VAL 55 Cb 0.94 -1.18 -0.04 0.00 -0.91 0.00 0.00 33.84 32.64 2hf5 n VAL 55 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2hf5 n ASP 56 N -3.14 3.31 -0.13 4.52 5.75 0.31 -4.83 116.55 122.35 2hf5 n ASP 56 Ca -0.23 0.65 -0.23 0.00 -0.01 0.00 0.00 54.79 54.97 2hf5 n ASP 56 Cb 1.06 -1.43 -0.11 0.00 -1.03 0.00 0.00 41.12 39.60 2hf5 n ASP 56 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hf5 n ALA 57 N 8.78 1.30 0.37 2.12 0.00 -1.26 -4.49 120.51 127.33 2hf5 n ALA 57 Ca 0.27 -1.07 0.12 0.00 0.00 0.00 0.00 53.44 52.76 2hf5 n ALA 57 Cb 0.35 -0.04 0.07 0.00 0.00 0.00 0.00 19.45 19.83 2hf5 n ALA 57 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2hf5 h ASP 58 N -0.42 0.00 0.00 0.00 3.04 -1.88 -3.48 116.42 113.68 2hf5 h ASP 58 Ca -0.62 -0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.03 2hf5 h ASP 58 Cb 1.78 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.07 2hf5 h ASP 58 CO -0.22 0.07 0.00 0.61 -2.04 0.00 0.00 179.24 177.66 2hf5 n GLY 59 N 1.27 0.62 0.53 7.15 0.00 -1.26 -4.93 105.19 108.57 2hf5 n GLY 59 Ca 0.02 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.60 2hf5 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hf5 n ASN 60 N 0.99 1.59 0.00 1.61 0.23 -1.26 -4.90 115.26 113.51 2hf5 n ASN 60 Ca 0.00 -1.71 0.00 0.00 -0.53 0.00 0.00 54.58 52.34 2hf5 n ASN 60 Cb 0.00 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.60 2hf5 n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hf5 n GLY 61 N 1.11 0.85 3.10 4.83 0.00 -1.26 -4.99 105.19 108.83 2hf5 n GLY 61 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2hf5 n GLY 61 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hf5 s THR 62 N -3.36 0.16 0.26 2.61 -1.32 -1.26 -4.78 115.64 107.95 2hf5 s THR 62 Ca 0.00 -1.31 -0.29 0.00 -1.21 0.00 0.00 61.69 58.88 2hf5 s THR 62 Cb 0.00 -1.08 -0.09 0.00 -1.51 0.00 0.00 72.50 69.82 2hf5 s THR 62 CO 0.00 -0.72 0.94 -0.51 -2.21 0.00 0.00 174.62 172.12 2hf5 s ILE 63 N -3.06 4.11 0.45 5.08 2.07 -0.36 -4.73 121.20 124.75 2hf5 s ILE 63 Ca -0.01 2.01 0.07 0.00 -1.41 0.00 0.00 60.65 61.30 2hf5 s ILE 63 Cb 0.02 -4.23 -0.03 0.00 0.13 0.00 0.00 42.46 38.35 2hf5 s ILE 63 CO -0.07 0.39 0.24 -1.81 -1.91 0.00 0.00 174.94 171.79 2hf5 s ASP 64 N -1.31 4.53 0.15 4.50 1.11 -1.26 -2.96 116.67 121.43 2hf5 s ASP 64 Ca 0.44 -1.10 -0.20 0.00 0.18 0.00 0.00 52.55 51.87 2hf5 s ASP 64 Cb -0.24 -0.25 0.05 0.00 1.07 0.00 0.00 42.92 43.55 2hf5 s ASP 64 CO 0.29 -0.69 1.66 -0.26 1.18 0.00 0.00 175.17 177.35 2hf5 h PHE 65 N 1.23 -0.36 -0.43 4.23 -1.00 -1.97 0.21 116.94 118.84 2hf5 h PHE 65 Ca -0.42 0.03 0.08 0.00 2.81 0.00 0.00 57.97 60.48 2hf5 h PHE 65 Cb 1.27 0.21 -0.07 0.00 3.61 0.00 0.00 35.95 40.96 2hf5 h PHE 65 CO 0.74 -0.22 0.00 -1.35 -1.61 0.00 0.00 178.31 175.87 2hf5 h PRO 66 N -0.11 0.11 0.23 1.51 0.11 -1.99 -2.20 132.00 129.66 2hf5 h PRO 66 Ca 0.15 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 2hf5 h PRO 66 Cb 0.34 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.43 2hf5 h PRO 66 CO -0.37 0.07 -0.11 0.93 -0.21 0.00 0.00 178.00 178.32 2hf5 h GLU 67 N 0.11 -0.29 -0.50 1.05 5.08 -1.75 -2.08 114.58 116.19 2hf5 h GLU 67 Ca 0.22 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2hf5 h GLU 67 Cb 0.31 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2hf5 h GLU 67 CO -0.36 0.01 0.33 0.35 -1.00 0.00 0.00 179.01 178.34 2hf5 h PHE 68 N -0.60 0.64 -0.79 4.33 3.57 -0.59 0.47 116.94 123.97 2hf5 h PHE 68 Ca -0.03 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2hf5 h PHE 68 Cb 0.44 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 2hf5 h PHE 68 CO 0.02 0.40 0.43 -0.07 -2.23 0.00 0.00 178.31 176.86 2hf5 h LEU 69 N 0.68 0.99 -0.14 0.59 3.38 -1.45 0.06 115.31 119.42 2hf5 h LEU 69 Ca 0.18 -0.10 -0.23 0.00 0.09 0.00 0.00 57.88 57.82 2hf5 h LEU 69 Cb -0.07 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.43 2hf5 h LEU 69 CO -0.04 0.81 -0.88 0.74 0.09 0.00 0.00 178.44 179.16 2hf5 h THR 70 N 1.10 1.30 -0.76 0.22 2.02 -0.60 0.47 112.91 116.66 2hf5 h THR 70 Ca 0.28 -2.13 0.00 0.00 0.77 0.00 0.00 66.41 65.33 2hf5 h THR 70 Cb 0.04 2.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 2hf5 h THR 70 CO -0.04 0.66 0.49 0.24 0.37 0.00 0.00 175.52 177.23 2hf5 h MET 71 N 0.43 1.01 0.06 6.66 2.86 0.09 0.54 114.93 126.58 2hf5 h MET 71 Ca -0.08 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2hf5 h MET 71 Cb 1.51 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.95 2hf5 h MET 71 CO 0.17 0.69 -0.03 1.98 1.06 0.00 0.00 176.91 180.78 2hf5 h MET 72 N 1.04 -0.07 0.00 1.72 -1.53 -0.83 -3.26 114.93 111.99 2hf5 h MET 72 Ca 0.28 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.54 2hf5 h MET 72 Cb -0.09 0.02 0.00 0.00 -0.55 0.00 0.00 31.60 30.98 2hf5 h MET 72 CO -0.06 -0.05 0.30 0.00 0.14 0.00 0.00 176.91 177.25 2hf5 h ALA 73 N -1.89 1.22 -0.76 0.39 0.00 -0.91 0.25 119.26 117.56 2hf5 h ALA 73 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.04 2hf5 h ALA 73 Cb 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.71 2hf5 h ALA 73 CO 0.01 -0.22 -0.26 -0.09 0.00 0.00 0.00 179.25 178.69 2hf5 h ARG 74 N 0.00 -0.05 0.00 0.00 2.43 0.04 -3.33 114.38 113.47 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 0.61 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2hf5 h ARG 74 CO 0.00 -0.03 -0.45 1.63 -1.51 0.00 0.00 179.97 179.61 2hf5 n LYS 75 N -5.49 3.32 -2.23 0.20 5.02 -1.06 -5.09 118.16 112.83 2hf5 n LYS 75 Ca 0.09 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.22 2hf5 n LYS 75 Cb 0.39 -0.72 0.08 0.00 -0.02 0.00 0.00 35.03 34.75 2hf5 n LYS 75 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2hf5 n MET 76 N -0.67 0.30 -2.06 1.97 2.81 0.85 -5.06 117.12 115.27 2hf5 n MET 76 Ca 0.00 -2.16 -0.36 0.00 -1.81 0.00 0.00 57.70 53.37 2hf5 n MET 76 Cb 0.00 -0.38 0.02 0.00 -0.71 0.00 0.00 33.22 32.15 2hf5 n MET 76 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2hf5 s LYS 77 N -4.26 3.15 0.03 0.03 0.00 -1.26 -3.69 119.74 113.73 2hf5 s LYS 77 Ca 0.48 1.83 -0.20 0.00 0.00 0.00 0.00 55.97 58.08 2hf5 s LYS 77 Cb -0.03 -2.04 -0.06 0.00 0.00 0.00 0.00 37.83 35.70 2hf5 s LYS 77 CO 0.32 -1.06 0.60 0.16 0.00 0.00 0.00 175.35 175.36 2hf5 s ASP 78 N -1.52 7.02 0.54 0.03 1.47 -1.26 -3.38 116.67 119.57 2hf5 s ASP 78 Ca 0.74 1.22 0.04 0.00 1.18 0.00 0.00 52.55 55.73 2hf5 s ASP 78 Cb -0.30 -2.37 0.05 0.00 -0.34 0.00 0.00 42.92 39.95 2hf5 s ASP 78 CO 0.34 0.16 0.75 -0.89 0.68 0.00 0.00 175.17 176.21 2hf5 s THR 79 N -0.52 2.63 0.00 2.11 2.01 -1.26 -5.05 115.64 115.56 2hf5 s THR 79 Ca 0.31 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.52 2hf5 s THR 79 Cb -0.19 -2.84 0.00 0.00 0.01 0.00 0.00 72.50 69.48 2hf5 s THR 79 CO 0.18 0.00 0.00 -0.90 -0.69 0.00 0.00 174.62 173.21 2hf5 n ASP 80 N -2.27 0.00 -4.53 3.53 5.75 -1.26 -4.95 116.55 112.82 2hf5 n ASP 80 Ca 0.10 0.00 -0.47 0.00 -0.01 0.00 0.00 54.79 54.41 2hf5 n ASP 80 Cb 0.60 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.66 2hf5 n ASP 80 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2hf5 n SER 81 N 0.00 0.56 0.27 -1.12 2.88 -1.26 -4.72 113.62 110.23 2hf5 n SER 81 Ca 0.00 1.16 0.12 0.00 -1.33 0.00 0.00 58.87 58.82 2hf5 n SER 81 Cb 0.00 -1.17 0.76 0.00 -0.75 0.00 0.00 64.21 63.05 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 2.02 0.00 -0.24 -1.46 4.81 -1.98 -1.05 114.58 116.68 2hf5 h GLU 82 Ca -0.37 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.74 2hf5 h GLU 82 Cb 1.37 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 2hf5 h GLU 82 CO 0.62 0.08 -0.36 0.93 -0.73 0.00 0.00 179.01 179.55 2hf5 h GLU 83 N 0.00 0.52 0.03 1.92 4.39 -1.97 0.59 114.58 120.06 2hf5 h GLU 83 Ca -0.00 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 2hf5 h GLU 83 Cb 0.19 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2hf5 h GLU 83 CO 0.01 0.81 -0.01 1.49 -1.16 0.00 0.00 179.01 180.14 2hf5 h GLU 84 N 0.44 -0.03 -0.46 2.33 4.57 -1.55 -0.72 114.58 119.16 2hf5 h GLU 84 Ca 0.05 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 2hf5 h GLU 84 Cb 0.83 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 2hf5 h GLU 84 CO 0.07 0.36 0.23 0.82 -1.18 0.00 0.00 179.01 179.31 2hf5 h ILE 85 N -0.44 1.15 -0.73 2.32 1.08 -1.27 -0.73 117.51 118.90 2hf5 h ILE 85 Ca -0.00 -0.42 -0.00 0.00 -0.39 0.00 0.00 64.86 64.05 2hf5 h ILE 85 Cb 0.41 0.56 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 2hf5 h ILE 85 CO 0.01 0.17 0.45 -0.09 -0.69 0.00 0.00 178.15 178.00 2hf5 h ARG 86 N 0.63 0.99 -0.11 2.37 2.43 0.36 0.19 114.38 121.24 2hf5 h ARG 86 Ca 0.16 -0.09 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 2hf5 h ARG 86 Cb 0.06 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2hf5 h ARG 86 CO -0.02 0.69 -0.43 1.49 -1.51 0.00 0.00 179.97 180.19 2hf5 h GLU 87 N 1.00 0.26 -0.57 0.20 4.81 -0.18 -2.43 114.58 117.67 2hf5 h GLU 87 Ca 0.26 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2hf5 h GLU 87 Cb -0.05 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2hf5 h GLU 87 CO -0.05 0.65 0.02 0.00 -0.73 0.00 0.00 179.01 178.90 2hf5 h ALA 88 N 1.34 0.96 -0.79 2.92 0.00 -0.27 0.59 119.26 124.01 2hf5 h ALA 88 Ca 0.02 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.72 2hf5 h ALA 88 Cb 0.85 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 2hf5 h ALA 88 CO 0.07 0.63 0.51 0.74 0.00 0.00 0.00 179.25 181.21 2hf5 h PHE 89 N 0.90 0.81 0.00 0.00 -1.00 -0.54 0.55 116.94 117.66 2hf5 h PHE 89 Ca 0.17 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.86 2hf5 h PHE 89 Cb 0.50 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 2hf5 h PHE 89 CO 0.03 0.40 -0.52 0.00 -1.61 0.00 0.00 178.31 176.61 2hf5 h ARG 90 N 0.77 0.00 0.19 1.51 3.08 -0.84 -3.21 114.38 115.89 2hf5 h ARG 90 Ca 0.35 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.07 2hf5 h ARG 90 Cb 0.36 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.42 2hf5 h ARG 90 CO -0.13 0.52 -1.61 0.28 -1.07 0.00 0.00 179.97 177.96 2hf5 h VAL 91 N 0.00 1.11 0.00 2.04 2.07 0.23 -3.29 116.25 118.41 2hf5 h VAL 91 Ca -0.01 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 64.86 2hf5 h VAL 91 Cb 1.30 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.94 2hf5 h VAL 91 CO 0.07 0.84 0.00 0.49 0.02 0.00 0.00 177.57 178.99 2hf5 n PHE 92 N -3.60 0.00 -4.61 1.57 3.72 0.18 -4.81 117.46 109.91 2hf5 n PHE 92 Ca -0.20 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 56.95 2hf5 n PHE 92 Cb 1.08 -0.05 -0.14 0.00 -0.94 0.00 0.00 39.48 39.43 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 -0.49 2.34 0.08 4.37 -1.08 -1.21 -3.69 116.67 116.99 2hf5 s ASP 93 Ca 0.00 -0.51 -0.15 0.00 -0.52 0.00 0.00 52.55 51.38 2hf5 s ASP 93 Cb 0.00 -0.19 -0.17 0.00 -1.46 0.00 0.00 42.92 41.10 2hf5 s ASP 93 CO 0.00 0.14 1.27 0.11 0.52 0.00 0.00 175.17 177.22 2hf5 h LYS 94 N 4.91 0.69 -0.05 4.34 6.56 -1.87 -3.34 116.57 127.81 2hf5 h LYS 94 Ca -0.42 -0.56 0.00 0.00 -1.06 0.00 0.00 60.65 58.61 2hf5 h LYS 94 Cb 1.16 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 2hf5 h LYS 94 CO 0.44 1.17 0.00 -0.40 -2.06 0.00 0.00 179.45 178.60 2hf5 n ASP 95 N -4.06 2.39 -3.54 0.86 5.68 -1.26 -4.99 116.55 111.63 2hf5 n ASP 95 Ca -0.08 -1.69 -0.26 0.00 -0.50 0.00 0.00 54.79 52.27 2hf5 n ASP 95 Cb 0.69 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 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 0.90 -0.49 0.00 6.12 0.00 -1.26 -4.85 105.19 105.62 2hf5 n GLY 96 Ca 0.10 0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.47 0.00 0.00 1.61 6.94 -1.26 -4.82 115.26 115.26 2hf5 n ASN 97 Ca -0.00 -0.89 0.00 0.00 -0.02 0.00 0.00 54.58 53.67 2hf5 n ASN 97 Cb 0.54 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 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 0.48 0.70 3.23 4.83 0.00 -1.26 -5.05 105.19 108.12 2hf5 n GLY 98 Ca 0.15 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.32 -0.40 1.61 2.02 -1.26 -4.88 117.35 112.12 2hf5 s TYR 99 Ca 0.00 0.74 -0.06 0.00 -0.37 0.00 0.00 57.07 57.38 2hf5 s TYR 99 Cb 0.00 0.12 0.09 0.00 -0.40 0.00 0.00 41.96 41.77 2hf5 s TYR 99 CO 0.00 -0.24 0.20 0.42 -1.57 0.00 0.00 175.55 174.37 2hf5 s ILE 100 N -0.23 3.69 0.53 2.71 1.01 -1.16 -4.75 121.20 123.02 2hf5 s ILE 100 Ca -0.04 -1.65 0.09 0.00 0.00 0.00 0.00 60.65 59.05 2hf5 s ILE 100 Cb -0.03 -3.34 0.06 0.00 0.01 0.00 0.00 42.46 39.16 2hf5 s ILE 100 CO 0.01 -0.52 0.68 -0.44 0.00 0.00 0.00 174.94 174.67 2hf5 s SER 101 N 1.91 5.14 0.03 3.58 0.01 -1.26 -1.22 113.70 121.89 2hf5 s SER 101 Ca 0.04 -0.81 -0.27 0.00 1.31 0.00 0.00 55.95 56.22 2hf5 s SER 101 Cb -0.23 0.09 -0.17 0.00 0.21 0.00 0.00 66.02 65.92 2hf5 s SER 101 CO -0.01 -1.17 1.40 0.00 0.41 0.00 0.00 173.24 173.87 2hf5 h ALA 102 N 0.38 -0.45 -0.92 1.44 0.00 -1.86 -0.62 119.26 117.24 2hf5 h ALA 102 Ca -0.33 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 54.58 2hf5 h ALA 102 Cb 1.29 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 19.15 2hf5 h ALA 102 CO 0.45 -0.64 0.51 0.00 0.00 0.00 0.00 179.25 179.56 2hf5 h ALA 103 N -0.09 1.44 -0.44 0.00 0.00 -1.97 0.21 119.26 118.40 2hf5 h ALA 103 Ca -0.05 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2hf5 h ALA 103 Cb 0.47 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2hf5 h ALA 103 CO 0.08 -0.07 0.20 0.93 0.00 0.00 0.00 179.25 180.39 2hf5 h GLU 104 N 0.69 0.39 0.12 0.00 4.39 -1.78 -2.02 114.58 116.38 2hf5 h GLU 104 Ca 0.51 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.18 2hf5 h GLU 104 Cb 0.75 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2hf5 h GLU 104 CO -0.37 0.26 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.61 2hf5 h LEU 105 N 0.40 -0.14 -1.55 1.33 3.38 0.66 -2.33 115.31 117.06 2hf5 h LEU 105 Ca 0.20 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.12 2hf5 h LEU 105 Cb 0.14 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2hf5 h LEU 105 CO -0.16 -0.00 0.36 0.08 0.09 0.00 0.00 178.44 178.81 2hf5 h ARG 106 N -0.27 0.57 -0.08 1.13 0.11 -0.48 0.68 114.38 116.04 2hf5 h ARG 106 Ca -0.02 -0.03 -0.21 0.00 0.10 0.00 0.00 59.98 59.82 2hf5 h ARG 106 Cb 0.22 -0.13 0.01 0.00 1.11 0.00 0.00 29.97 31.19 2hf5 h ARG 106 CO 0.03 0.37 -0.75 1.25 0.10 0.00 0.00 179.97 180.97 2hf5 h HIS 107 N 0.58 0.91 0.01 4.08 2.76 -1.13 0.45 115.15 122.82 2hf5 h HIS 107 Ca 0.22 -0.44 -0.27 0.00 -2.20 0.00 0.00 60.37 57.68 2hf5 h HIS 107 Cb 0.15 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 28.95 2hf5 h HIS 107 CO -0.00 1.26 -1.48 -0.39 -1.30 0.00 0.00 177.93 176.02 2hf5 h VAL 108 N 0.30 1.13 0.00 5.26 -1.51 -0.87 -3.30 116.25 117.27 2hf5 h VAL 108 Ca -0.07 -2.92 0.00 0.00 -1.23 0.00 0.00 66.70 62.47 2hf5 h VAL 108 Cb 1.41 2.58 0.00 0.00 -2.13 0.00 0.00 31.29 33.15 2hf5 h VAL 108 CO 0.15 0.68 0.00 0.80 -1.23 0.00 0.00 177.57 177.97 2hf5 n MET 109 N -3.19 0.00 0.00 5.19 0.00 0.23 -4.95 117.12 114.40 2hf5 n MET 109 Ca -0.12 0.25 0.00 0.00 0.00 0.00 0.00 57.70 57.83 2hf5 n MET 109 Cb 1.02 -0.73 0.00 0.00 0.00 0.00 0.00 33.22 33.51 2hf5 n MET 109 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2hf5 n THR 110 N -1.34 0.00 -0.51 1.12 -1.04 -1.18 -5.06 114.28 106.27 2hf5 n THR 110 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2hf5 n THR 110 Cb 0.00 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 2hf5 n THR 110 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2hf5 n ASN 111 N -1.85 -0.64 -3.97 8.00 5.03 0.16 -4.79 115.26 117.20 2hf5 n ASN 111 Ca 0.00 -0.51 -0.56 0.00 0.87 0.00 0.00 54.58 54.39 2hf5 n ASN 111 Cb 0.19 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 38.84 2hf5 n ASN 111 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2hf5 n LEU 112 N 0.00 0.69 -0.24 3.41 4.77 -1.25 -4.41 117.00 119.97 2hf5 n LEU 112 Ca 0.00 0.62 0.03 0.00 -0.03 0.00 0.00 56.01 56.63 2hf5 n LEU 112 Cb 0.00 -0.84 0.02 0.00 -2.33 0.00 0.00 43.42 40.27 2hf5 n LEU 112 CO 0.00 -0.72 0.34 0.61 -1.33 0.00 0.00 177.39 176.30